NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 R 4.7295 8.1133 121.1492 56.3596 31.8652 173.7778 20 I 4.8800 9.0345 127.6884 59.0624 40.4967 172.9473 21 L 5.0910 9.4202 127.6403 53.1460 44.9004 175.1479 22 I 4.6750 8.9025 124.9307 59.8401 38.9749 174.8261 23 L 4.5176 9.3325 126.5533 52.2854 45.6125 175.1628 24 G 4.1847 7.7458 103.9750 43.6530 0.0000 173.3361 25 L 4.2701 8.0573 121.0571 53.7842 42.3892 176.6706 26 D 4.5562 8.4286 120.0406 55.2216 38.0692 177.4906 27 G 3.9663 8.9733 108.6721 45.7455 0.0000 175.2801 28 A 4.0741 7.5771 121.6541 53.9279 18.6270 178.5130 29 G 4.2238 7.8971 103.8945 45.6794 0.0000 175.6385 30 K 3.7989 8.4922 120.7859 59.9111 32.0768 179.2173 31 T 4.1701 7.7607 116.4648 66.2590 68.5120 176.9672 32 T 3.9928 7.9429 117.2768 66.6230 68.4701 176.5227 33 I 3.7161 8.2055 122.0816 64.2489 37.2378 177.8304 34 L 3.7363 7.8962 121.2213 58.8033 41.7226 178.8427 35 Y 4.1611 7.7469 115.6065 60.4475 37.9185 178.0899 36 R 4.1573 8.0583 121.5747 58.9443 29.9641 178.5548 37 L 4.0998 8.1923 118.3218 57.3694 41.6281 178.9201 38 Q 4.2694 7.7463 118.8248 58.2701 29.5734 177.0629 39 V 4.4442 8.0095 111.1838 60.0795 33.0046 175.8693 40 G 4.2650 8.1431 106.3708 45.9758 0.0000 173.2455 41 E 4.6990 7.6122 116.3421 53.8749 33.1562 174.1397 42 V 3.9929 8.1987 122.6761 62.4516 32.3648 175.5107 43 V 4.5102 7.9753 124.9392 60.9756 34.5460 175.0158 44 T 4.1872 8.3051 121.5828 63.4789 69.0409 174.2230 45 T 4.7392 8.2580 114.6933 59.6362 71.9026 172.7689 46 I 4.6165 7.8420 114.4386 57.7983 40.5258 173.5007 47 P 4.1236 0.0000 0.0000 63.6008 31.5881 176.4775 48 T 4.2650 8.5757 119.8044 63.2483 68.2047 174.0495 49 I 4.6668 9.5670 129.9369 57.0407 37.3985 174.5024 50 G 4.1965 6.8408 119.7615 43.7375 0.0000 172.4745 51 F 5.4046 7.6448 119.3563 55.6987 40.5723 171.9612 52 N 5.3434 9.2724 117.5567 51.5011 41.6153 174.1110 53 V 4.7087 8.2711 121.1848 60.0117 34.2307 174.5785 54 E 4.8247 8.6723 122.4164 54.8390 34.3434 174.1561 55 T 4.9501 8.4238 112.5029 60.5737 70.6491 174.0473 56 V 4.5345 8.9245 124.7528 61.3932 34.9884 174.2830 57 T 5.1277 8.6835 123.2286 62.1891 70.3643 173.0299 58 Y 4.4943 8.9662 127.8311 56.9292 41.9426 175.3825 59 K 3.6296 8.7567 125.3281 59.3224 30.0412 175.2245 60 N 4.1004 7.8039 115.0121 53.0965 36.6656 174.3655 61 L 4.3720 7.6291 117.1214 53.8835 46.7978 174.4055 62 K 4.9977 8.2336 124.6866 54.6305 34.1662 175.4527 63 F 4.8755 8.9157 123.4956 55.5690 42.4459 174.2847 64 Q 4.5172 8.8578 124.7798 55.4311 30.3757 174.1806 65 V 4.8667 8.6167 127.7350 61.0442 33.9733 174.1731 66 W 5.0107 9.3859 128.6202 55.0678 31.2795 174.4552 67 D 5.1306 9.4006 126.0686 52.8592 41.9954 174.7888 68 L 4.7961 8.1031 126.4823 52.7823 43.2795 177.2874 69 G 4.0877 8.3506 111.0398 46.1364 0.0000 173.6858 70 G 4.5003 8.6964 109.9219 44.0834 0.0000 174.3525 71 L 4.0675 7.8491 120.3913 54.9322 42.9979 177.6611 72 T 3.7511 8.5661 119.6266 67.2222 68.2701 176.9105 73 S 4.1944 8.0278 113.5824 60.2333 63.5528 175.0816 74 I 3.7581 6.9412 115.2379 60.5274 38.2849 177.4048 75 R 2.5322 7.3369 120.8325 58.6609 29.6273 176.7490 76 P 4.1277 0.0000 0.0000 64.9129 31.6698 176.5803 77 Y 4.7309 7.3476 114.6604 58.4821 38.7462 177.3477 78 W 4.6296 8.3972 121.5899 60.0838 29.2878 178.3726 79 R 2.0000 7.9223 115.0337 58.7722 28.4446 178.3071 80 C 3.9717 7.6775 116.2399 62.2428 28.0635 174.5574 81 Y 4.2100 7.5586 115.5993 57.9525 37.8188 176.1686 82 Y 4.5436 7.6201 118.7087 60.4511 38.3717 176.7490 83 S 4.1102 8.0652 115.5189 60.1756 63.3799 173.8446 84 N 4.1626 8.6415 121.6440 54.7521 35.4584 174.5035 85 T 4.5015 7.8067 113.8337 62.3757 70.3914 174.8947 86 D 4.7403 8.9814 126.5555 56.3292 42.5550 176.4377 87 A 5.1706 7.7929 117.7347 50.3556 23.2902 175.0876 88 V 4.6876 8.8206 120.3467 61.1332 34.2445 174.6563 89 I 4.4048 8.7570 129.8849 60.5257 38.2868 174.0744 90 Y 4.8416 9.0568 130.1379 55.8658 40.2061 174.2826 91 V 4.5490 8.2133 127.5167 61.1544 34.1123 174.5245 92 V 4.5460 8.6817 127.0686 60.8454 35.1408 173.6859 93 D 4.6970 8.7604 127.6188 54.2956 41.2903 176.9348 94 S 4.2323 8.8524 123.9776 61.6030 63.0245 175.8461 95 C 4.4455 7.8868 116.8113 61.4820 28.2666 174.0256 96 D 4.6690 7.4220 120.6149 52.7486 39.3689 175.7842 97 R 4.1159 7.9439 122.8066 58.6707 30.8714 179.0599 98 D 4.4660 8.1508 116.8295 56.6544 41.2185 177.1713 99 R 4.5600 7.8484 116.2968 55.9320 30.6657 177.8060 100 I 3.8711 7.5696 120.1984 63.9434 37.8204 178.1134 101 G 3.6808 8.1346 106.3714 47.8703 0.0000 175.5443 102 I 3.8452 7.5150 122.8575 63.8216 37.2560 178.5200 103 S 4.5231 8.0656 117.2875 60.9410 62.5500 176.7885 104 K 3.9629 8.3619 122.7222 59.4862 31.4805 179.1311 105 S 4.1125 8.2083 114.6021 61.5132 62.6294 176.3632 106 E 4.1177 8.2868 121.5712 58.9650 29.2861 178.7021 107 L 3.8186 7.8431 119.8402 57.8596 42.1811 178.8195 108 V 3.7133 7.8052 117.2485 65.8159 31.2308 178.4165 109 A 4.0688 7.7316 116.4900 53.1085 17.7959 178.7131 *111 L 4.2115 7.7910 119.0953 55.6771 43.4794 177.7501 112 E 4.1832 7.7480 116.3570 57.6502 30.1527 176.8726 113 E 4.2287 7.9975 120.1623 55.8303 30.3642 177.5025 114 E 4.0292 9.0183 123.6027 59.5512 29.8375 179.2316 115 E 4.0112 8.2646 117.0325 58.9187 29.8617 177.5133 116 L 4.4241 7.8339 116.9233 54.2553 42.0060 178.0439 117 R 3.8252 7.6674 121.3131 59.3430 29.7833 177.3214 118 K 4.3907 7.8156 112.2365 55.9015 32.6917 176.2520 119 A 4.4224 7.6725 122.0332 51.8190 19.0894 177.9445 120 I 4.0389 8.5373 122.8132 61.1162 38.9232 174.8891 121 L 5.2426 9.0171 128.7047 53.3727 44.5003 175.1348 122 V 5.1088 8.8848 126.8606 60.0492 34.1638 174.6931 123 V 4.8087 8.9546 125.6438 61.5244 33.4041 174.3858 124 F 5.2979 9.7245 127.7496 56.2543 40.4622 175.2367 125 A 4.5958 9.2477 128.4437 51.3466 17.8497 176.1420 126 N 5.1887 9.2791 121.1078 51.9370 41.6454 174.1774 127 K 4.3692 8.4209 116.5411 57.2283 29.1821 177.3067 128 Q 4.1742 8.0987 118.4336 57.7389 29.1296 177.6808 129 D 4.5687 7.8051 120.7019 52.9261 38.2621 177.2509 *131 E 4.2256 8.0150 120.8590 57.0656 31.6922 176.3095 132 Q 4.3238 8.0683 113.4246 56.4731 29.5543 178.0043 133 A 4.2324 7.1111 122.8955 52.1010 18.4989 177.0660 *135 T 4.1320 8.2025 103.9668 61.7137 70.0523 174.7924 136 S 4.1791 8.8440 117.3401 61.8767 62.8680 175.9531 137 S 4.2048 7.8443 114.6781 61.5670 62.3137 176.1955 138 E 3.8487 7.8886 116.2677 57.6644 29.4090 178.5556 *140 A 4.1106 8.0604 123.9908 52.3428 20.7995 179.6552 141 N 4.3464 8.0060 112.7171 56.5129 38.7917 177.9408 142 S 4.1592 8.2432 113.7524 61.1710 62.9423 175.2246 143 L 4.1455 7.8172 117.5591 54.5183 41.4884 177.0467 144 G 3.8260 7.8614 106.9556 46.3752 0.0000 176.2467 145 L 3.3189 7.7857 122.2844 56.6860 41.5398 178.1112 146 P 4.5232 0.0000 0.0000 65.2531 31.3382 177.1428 147 A 4.2416 7.3949 118.3707 53.0497 18.7356 177.5760 148 L 4.1593 7.5583 117.1559 54.3163 42.1739 176.7362 149 K 4.6762 8.3408 121.8766 55.4679 34.8775 174.9704 150 D 4.4964 8.8145 117.6552 55.2504 38.4415 173.7188 151 R 4.6174 7.9478 117.0379 54.3819 33.1053 174.1361 152 K 4.6056 8.7710 124.9762 55.6433 33.1738 175.8004 153 W 6.3000 8.3808 121.0700 55.4358 31.2782 173.7206 154 Q 4.1415 8.5883 120.7979 54.7156 32.0695 172.6188 155 I 5.0219 7.9286 123.2422 59.3129 40.7481 174.5563 156 F 4.8238 8.9089 125.5376 55.5579 43.8566 173.9448 157 K 4.8689 8.6928 121.9428 56.1499 33.1910 175.9907 158 T 5.0482 8.8093 115.1096 59.7869 72.7575 173.0002 159 S 4.8786 8.6886 117.4098 56.4728 64.4718 174.6709 160 A 4.0832 8.8445 131.4398 55.1740 18.5991 178.7664 161 T 4.1448 7.9326 105.4400 64.6465 69.4007 176.3233 162 K 4.0253 8.1254 121.1474 57.6358 31.9902 178.2300 163 G 4.0730 8.4768 106.1747 45.0910 0.0000 173.3809 164 T 4.1145 7.7472 110.8939 62.5775 69.9062 175.7531 165 G 4.2981 8.8214 112.0231 46.3092 0.0000 175.4916 166 L 3.6554 7.3588 120.4435 57.8564 41.9426 178.8998 167 D 4.7022 8.1609 116.4991 57.5449 40.7336 178.0228 168 E 4.0504 7.6828 117.2413 59.0084 29.9860 179.1638 169 A 2.5800 7.1031 119.2106 51.9078 17.8441 178.7679 *171 E 4.3366 8.3312 121.8633 57.5982 31.6339 177.7969 172 W 4.0654 7.8687 128.1502 60.3003 30.6652 177.7633 173 L 3.7996 8.0300 120.2568 57.9849 41.5104 179.1786 174 V 3.5886 7.5142 117.6191 66.1881 31.5568 177.6881 175 E 3.9759 8.0052 118.2394 59.7315 29.0083 179.6020 176 T 3.5740 7.1898 114.9354 66.3434 68.4683 176.5582 177 L 4.0932 7.9539 121.1271 57.6825 41.4451 179.6487 178 K 4.0251 8.3168 117.8688 58.8444 31.8972 178.2014 179 S 4.5684 7.4130 114.1836 58.2483 63.6227 174.1653 180 R 4.1821 7.5762 128.2332 56.5625 31.5041 175.4861 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 19 R 8.11 4.73 0.00 2.02 2.08 0.00 3.20 0.00 0.00 3.54 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.95 0.00 20 I 9.03 4.88 1.90 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.93 0.82 0.00 0.00 21 L 9.42 5.09 0.00 1.52 1.45 1.08 0.42 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 22 I 8.90 4.67 1.75 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.07 0.75 0.00 0.00 23 L 9.33 4.52 0.00 1.25 0.13 0.74 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 24 G 7.75 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 25 L 8.06 4.27 0.00 1.75 1.64 0.95 1.01 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 26 D 8.43 4.56 0.00 2.81 2.74 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 27 G 8.97 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 28 A 7.58 4.07 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 29 G 7.90 4.22 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 0.00 30 K 8.49 3.80 0.00 1.80 1.97 0.00 1.68 0.00 0.00 1.83 0.00 0.00 3.06 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.40 1.47 7.81 31 T 7.76 4.17 4.32 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 1.52 0.00 0.00 32 T 7.94 3.99 4.42 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 1.26 0.00 0.00 33 I 8.21 3.72 2.08 0.00 0.00 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 1.56 0.78 0.97 0.00 0.00 34 L 7.90 3.74 0.00 1.54 1.56 0.68 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 35 Y 7.75 4.16 0.00 3.17 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 36 R 8.06 4.16 0.00 2.20 2.09 0.00 3.35 0.00 0.00 3.35 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.61 0.00 37 L 8.19 4.10 0.00 1.80 1.72 0.88 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 38 Q 7.75 4.27 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.27 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 39 V 8.01 4.44 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 0.85 0.00 0.00 1.14 0.00 0.00 40 G 8.14 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 0.00 0.00 0.00 41 E 7.61 4.70 0.00 2.26 1.76 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 2.21 2.25 0.00 42 V 8.20 3.99 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 0.84 0.00 0.00 0.99 0.00 0.00 43 V 7.98 4.51 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 0.75 0.00 0.00 0.91 0.00 0.00 44 T 8.31 4.19 4.21 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 1.20 0.00 0.00 45 T 8.26 4.74 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 1.31 0.00 0.00 46 I 7.84 4.62 1.88 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 1.41 0.75 0.91 0.00 0.00 47 P 0.00 4.12 0.00 2.08 2.09 0.00 3.68 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 2.05 2.15 0.00 48 T 8.58 4.26 4.32 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 1.39 0.00 0.00 49 I 9.57 4.67 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 1.54 0.85 0.96 0.00 0.00 50 G 6.84 4.20 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 0.00 51 F 7.64 5.40 0.00 3.17 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 52 N 9.27 5.34 0.00 2.90 2.83 0.00 0.00 6.80 7.29 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 53 V 8.27 4.71 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 0.00 0.00 0.40 0.00 0.00 0.11 0.00 0.00 54 E 8.67 4.82 0.00 1.74 1.75 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 2.06 2.09 0.00 55 T 8.42 4.95 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 1.19 0.00 0.00 56 V 8.92 4.53 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 1.13 0.00 0.00 0.93 0.00 0.00 57 T 8.68 5.13 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 1.27 0.00 0.00 58 Y 8.97 4.49 0.00 3.18 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 59 K 8.76 3.63 0.00 1.95 1.76 0.00 1.96 0.00 0.00 1.61 0.00 0.00 2.86 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.72 1.44 7.81 60 N 7.80 4.10 0.00 2.74 2.77 0.00 0.00 6.96 7.85 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 61 L 7.63 4.37 0.00 1.98 1.31 0.38 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 62 K 8.23 5.00 0.00 1.51 1.60 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.70 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.31 1.36 7.81 63 F 8.92 4.88 0.00 2.97 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 64 Q 8.86 4.52 0.00 2.22 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.87 0.00 0.00 0.00 0.00 0.00 2.34 2.29 0.00 65 V 8.62 4.87 2.11 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 0.85 0.00 0.00 1.01 0.00 0.00 66 W 9.39 5.01 0.00 3.16 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 67 D 9.40 5.13 0.00 2.69 2.71 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 68 L 8.10 4.80 0.00 1.31 1.59 0.49 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.35 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 70 G 8.70 4.50 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 0.00 71 L 7.85 4.07 0.00 1.72 1.61 0.94 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 72 T 8.57 3.75 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 1.12 0.00 0.00 73 S 8.03 4.19 0.00 3.98 3.96 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 74 I 6.94 3.76 2.08 0.00 0.00 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 1.63 0.80 1.04 0.00 0.00 75 R 7.34 2.53 0.00 1.57 1.25 0.00 2.81 0.00 0.00 2.81 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.34 0.00 76 P 0.00 4.13 0.00 1.61 1.93 0.00 3.06 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 77 Y 7.35 4.73 0.00 3.33 3.02 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 0.00 0.00 0.00 0.00 78 W 8.40 4.63 0.00 3.42 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 79 R 7.92 2.00 0.00 1.82 2.02 0.00 2.98 0.00 0.00 3.34 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 80 C 7.68 3.97 0.00 2.79 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 81 Y 7.56 4.21 0.00 2.89 2.60 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 82 Y 7.62 4.54 0.00 3.02 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 83 S 8.07 4.11 0.00 3.79 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 84 N 8.64 4.16 0.00 2.86 2.91 0.00 0.00 7.01 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 85 T 7.81 4.50 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 1.20 0.00 0.00 86 D 8.98 4.74 0.00 2.76 2.74 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 87 A 7.79 5.17 1.18 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 88 V 8.82 4.69 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 1.00 0.00 0.00 0.78 0.00 0.00 89 I 8.76 4.40 1.52 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.26 -0.24 0.00 0.00 90 Y 9.06 4.84 0.00 2.90 2.79 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 91 V 8.21 4.55 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 0.92 0.00 0.00 0.73 0.00 0.00 92 V 8.68 4.55 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 1.01 0.00 0.00 0.99 0.00 0.00 93 D 8.76 4.70 0.00 2.77 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.85 4.23 0.00 3.94 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 95 C 7.89 4.45 0.00 3.02 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 96 D 7.42 4.67 0.00 2.68 2.60 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 97 R 7.94 4.12 0.00 1.92 1.96 0.00 3.18 0.00 0.00 3.34 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.81 0.00 98 D 8.15 4.47 0.00 2.67 2.73 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 0.00 0.00 0.00 0.00 99 R 7.85 4.56 0.00 1.83 1.91 0.00 3.09 0.00 0.00 3.49 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 100 I 7.57 3.87 1.89 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 1.47 1.26 0.97 0.00 0.00 101 G 8.13 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 0.00 102 I 7.52 3.85 2.05 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 1.66 1.40 0.91 0.00 0.00 103 S 8.07 4.52 0.00 4.19 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 0.00 104 K 8.36 3.96 0.00 1.90 1.96 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.47 7.81 105 S 8.21 4.11 0.00 4.10 4.11 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 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7.95 4.62 0.00 1.77 1.96 0.00 3.34 0.00 0.00 3.39 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.92 0.00 152 K 8.77 4.61 0.00 1.80 1.87 0.00 1.67 0.00 0.00 1.98 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.55 1.39 7.81 153 W 8.38 6.30 0.00 3.33 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 0.00 154 Q 8.59 4.14 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.88 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 155 I 7.93 5.02 1.94 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 1.32 1.27 0.92 0.00 0.00 156 F 8.91 4.82 0.00 2.72 2.61 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 0.00 157 K 8.69 4.87 0.00 1.72 1.74 0.00 1.59 0.00 0.00 1.86 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.51 1.42 7.81 158 T 8.81 5.05 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 0.64 0.00 0.00 159 S 8.69 4.88 0.00 4.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 A 8.84 4.08 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 0.00 161 T 7.93 4.14 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 1.23 0.00 0.00 162 K 8.13 4.03 0.00 1.75 1.91 0.00 1.56 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.43 7.81 163 G 8.48 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 0.00 164 T 7.75 4.11 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 0.00 165 G 8.82 4.30 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 0.00 166 L 7.36 3.66 0.00 1.81 1.66 0.95 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 167 D 8.16 4.70 0.00 2.67 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 0.00 168 E 7.68 4.05 0.00 1.98 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 2.33 2.29 0.00 169 A 7.10 2.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *171 E 8.33 4.34 0.00 2.29 2.20 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 2.36 2.45 0.00 172 W 7.87 4.07 0.00 3.55 3.39 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 0.00 173 L 8.03 3.80 0.00 2.01 1.56 0.94 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 174 V 7.51 3.59 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 1.27 0.00 0.00 0.99 0.00 0.00 175 E 8.01 3.98 0.00 1.90 1.90 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 2.57 2.51 0.00 176 T 7.19 3.57 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 177 L 7.95 4.09 0.00 1.88 1.76 1.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 178 K 8.32 4.03 0.00 1.89 1.87 0.00 1.83 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.52 7.81 179 S 7.41 4.57 0.00 3.71 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 0.00 180 R 7.58 4.18 0.00 1.81 2.12 0.00 3.33 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.56 0.00 * Residues marked with a * may have inaccurate shift predictions.