NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.8080 8.2048 119.7730 55.6661 32.9109 174.9476 2 Q 4.3688 8.7705 126.3236 53.8907 30.6030 175.7657 3 G 3.6553 8.5745 106.4221 47.9106 0.0000 175.7461 4 K 3.9393 7.8715 120.3651 59.7012 32.5963 179.0403 5 D 3.9584 7.5258 119.6436 57.1411 40.5688 178.5266 6 I 3.5588 7.2554 118.5682 63.9605 37.9598 177.8257 7 I 3.5706 7.5942 120.7941 64.2084 36.6523 178.3764 8 L 4.0675 7.8026 119.1588 57.5644 41.8173 179.4072 9 G 3.7558 8.0248 105.7184 47.9648 0.0000 175.7357 10 I 3.7679 7.7621 121.4780 63.6789 37.1856 177.6183 11 L 4.5867 7.7959 117.7157 54.8683 41.5225 178.6271 12 S 4.2238 7.6521 115.1905 60.9860 62.8986 175.2769 13 K 4.4477 7.9011 118.8502 56.3579 33.4252 176.3797 14 K 4.6854 7.3191 116.7337 54.4444 36.2401 175.6453 15 E 4.4544 8.6368 122.0717 56.7444 30.3495 176.6026 16 R 4.8962 8.9494 121.9217 54.2868 35.0549 175.1214 17 S 4.6598 8.8651 117.2887 58.1972 64.2296 175.2190 18 G 3.9200 9.1762 108.5644 48.5006 0.0000 175.5831 19 Y 4.4424 7.7263 118.3326 61.0975 37.8711 178.3709 20 E 4.0601 8.3927 120.1436 59.2296 29.6955 178.7816 21 I 3.6845 7.9789 119.9384 64.4939 37.1164 177.8754 22 N 4.2156 8.4544 118.0312 56.6433 38.6707 176.3801 23 D 4.3191 8.2268 119.4175 57.3147 41.3083 178.1994 24 I 3.7487 8.0428 120.5667 64.3699 36.9463 178.1881 25 L 3.8561 7.8848 119.7848 58.3824 42.0392 178.6930 26 Q 4.1792 8.2323 116.8499 57.9982 28.8880 177.1781 27 N 4.9059 8.3609 114.6540 53.0657 40.1553 175.7811 28 Q 4.6075 8.0759 117.4194 56.8872 31.2341 176.6634 29 L 4.2197 7.9406 117.7179 54.3546 41.7610 178.4854 30 S 4.7163 8.2264 113.8227 60.2158 63.1015 174.9027 31 Y 4.9051 8.3412 117.8011 58.1317 38.1035 175.8270 32 F 4.8071 7.3960 112.6667 56.1205 39.3196 174.4113 33 Y 4.2350 7.1232 122.4311 56.2547 39.4351 172.5020 34 D 4.7878 8.0818 125.9722 52.2022 42.7617 175.4174 35 G 4.0016 8.0094 120.4638 44.8508 0.0000 171.0004 36 T 4.3742 8.2546 115.0945 60.6969 70.5573 175.1981 *37 Y 4.0457 8.1724 121.6282 58.5082 37.2999 176.6298 38 G 3.9477 8.6720 107.6525 47.6256 0.0000 175.4956 39 M 4.1395 8.0519 120.7355 57.8523 32.4426 177.2116 40 I 3.4027 7.4011 118.2143 64.3041 38.1493 177.3412 41 Y 4.2220 7.2675 116.7778 60.7820 37.8494 176.4625 42 P 4.3361 0.0000 0.0000 65.8977 31.3328 178.8582 43 T 3.8683 7.9229 114.6791 66.5030 68.3434 176.8027 44 L 3.8160 8.2673 121.3735 57.7231 41.5498 179.8352 45 R 3.9478 8.0719 118.0224 59.0827 29.9720 179.0544 46 K 3.9395 8.1944 119.4101 59.5650 32.2015 178.7324 47 L 3.9439 8.0930 119.4485 57.8173 41.4856 179.3069 48 E 4.3326 8.1677 120.5219 58.6709 29.4297 178.5804 49 K 3.9226 7.9521 118.5067 59.5424 32.3137 177.5226 50 D 4.7196 8.1694 116.0578 53.8355 40.9346 177.0488 51 G 3.9342 7.8424 107.5025 46.1636 0.0000 174.9604 52 K 4.4993 8.2385 121.2702 57.6373 33.3267 176.6336 53 I 5.2461 7.6405 112.2640 59.5197 41.5729 174.0634 54 T 4.7579 9.1313 113.2784 59.9090 71.7646 172.9999 55 K 4.6715 8.5170 123.6261 54.5696 34.7799 174.4421 56 E 4.5088 8.9748 128.9730 54.3579 31.9837 174.4777 57 V 4.4040 8.3023 127.1821 61.5408 32.9024 174.8970 58 V 4.1787 8.8115 129.7614 61.6467 32.8416 174.4288 59 I 4.7857 8.2919 128.9131 59.9459 38.2750 175.3916 60 Q 4.5830 8.3741 123.9534 53.6267 32.6601 174.3363 61 D 4.5501 8.7010 121.0793 55.8319 41.0775 176.7106 62 G 3.9547 9.0487 111.8961 46.2290 0.0000 172.9822 63 R 4.7416 7.4625 115.4746 53.1130 34.1563 173.6445 64 P 4.4803 0.0000 0.0000 62.2757 32.0169 176.3317 65 N 4.6205 8.5762 118.0641 53.7675 39.4720 174.1673 66 K 4.3554 8.7885 123.4885 54.6500 35.0692 174.2686 67 N 5.0978 8.3334 124.4421 51.8082 40.7988 173.6688 68 I 4.6818 8.6082 124.9582 59.6408 40.0291 174.1981 69 Y 5.2730 9.0800 124.5599 56.2354 41.0165 174.7432 70 A 5.0376 8.7590 123.8644 50.0308 22.7496 175.5018 71 I 4.2838 8.5946 122.8376 61.3692 39.1516 175.3648 72 T 4.4625 8.4704 118.5118 60.2559 71.3854 175.4541 73 E 3.9537 8.8652 120.7176 59.7815 29.4889 179.8964 74 S 4.3191 8.1084 113.6369 61.1187 63.0777 176.6144 75 G 3.5927 8.0507 109.7366 47.5355 0.0000 175.9668 76 K 3.9876 8.3527 121.1843 58.9832 31.9607 179.4062 77 K 3.9134 8.1108 119.9836 59.4027 32.0915 178.4259 78 E 3.9180 8.0553 119.3410 59.2094 29.5187 178.5194 79 L 3.9400 8.2641 120.3507 58.0994 41.9553 178.6001 80 A 4.0041 7.9673 119.5277 55.4370 18.6632 179.4247 81 S 4.2123 8.2893 113.6097 61.9602 62.9058 176.2760 82 Y 3.9718 8.2652 122.2811 60.8006 38.3262 178.1804 83 L 4.0872 8.0709 118.2800 57.0372 41.8291 178.6064 84 Q 4.2165 7.6396 116.7271 56.1020 29.1722 176.3808 85 S 4.2553 6.7699 114.4189 57.4646 63.7366 173.8542 86 D 4.3335 8.2481 121.3042 54.2028 41.0921 176.8408 87 V 3.5966 8.0843 123.1796 62.8141 32.0377 175.7394 88 N 4.6674 8.4643 124.4190 52.6439 39.3335 174.7086 89 D 4.5333 8.3335 119.9869 53.9531 41.5831 176.3326 90 E 4.0611 8.6375 122.7617 56.5367 30.2405 176.0907 91 I 4.4385 8.2044 126.0123 59.6251 38.6941 175.2351 92 F 4.8144 8.5134 127.0059 56.9255 41.8683 173.5040 93 K 3.9498 8.0550 126.8062 54.0347 34.5064 176.3796 94 S 4.3745 7.6985 119.5265 56.4480 63.3721 173.5974 95 D 4.3232 8.5152 129.7249 57.1431 41.1458 177.4514 96 F 4.1860 8.3094 120.8022 61.5743 39.4170 177.0511 97 L 3.7706 8.1293 118.4070 57.7304 41.3780 179.0762 98 M 4.1471 8.0759 118.2523 58.8120 31.7124 178.3679 99 R 3.9894 8.2230 118.3436 59.4420 30.2652 179.1189 100 L 3.8931 7.5102 118.1203 57.5561 41.3578 179.2304 101 F 3.7407 8.4412 119.9877 60.5983 39.2960 176.5087 102 F 4.9864 8.1400 115.0627 57.0790 40.2962 176.1134 103 G 4.2023 7.7837 108.6382 45.1548 0.0000 177.4941 104 N 4.3375 8.3559 119.3193 54.6962 37.8047 178.5119 105 S 4.4312 7.8843 110.3769 59.1816 63.8969 174.3176 106 L 3.9030 7.3659 121.8465 55.2160 41.7285 177.5404 107 N 4.7144 8.5623 121.7325 52.1059 39.7723 175.6850 108 D 4.3792 8.5205 120.0065 57.5623 40.7472 178.8293 109 D 4.3436 8.0279 118.7375 57.6305 40.9843 178.3705 110 D 4.3637 8.6407 119.5521 57.2234 40.7548 178.8049 111 L 3.9496 8.0226 120.7813 58.1211 42.0919 178.5072 112 E 3.9484 8.4044 119.5253 59.3705 29.4735 178.5697 113 Q 3.9618 8.3625 119.6437 59.1090 29.1649 177.9711 114 L 4.1071 8.0057 120.0001 58.1610 41.6802 179.7393 115 I 3.8887 8.0891 119.4364 64.6175 37.1147 178.8104 116 R 3.9149 8.3809 119.2308 59.2604 29.8349 179.0511 117 E 3.9862 8.4839 118.7412 59.2131 29.4016 178.9507 118 E 3.7185 8.1410 119.4708 59.0013 29.4480 178.8096 119 I 3.5911 7.7954 120.0760 64.4995 37.1903 178.0828 120 E 4.1639 8.0495 120.5230 58.9687 29.2955 179.7706 121 R 3.8634 7.8703 117.9411 59.0564 30.0395 179.2545 122 K 3.7423 8.0977 118.3740 59.4512 32.1648 179.2193 123 E 3.9129 8.3772 119.1619 59.3824 29.3792 179.0879 124 E 3.9879 8.2436 119.3557 59.1488 29.6792 179.0707 125 K 3.8551 7.8997 118.6032 59.1729 31.9592 179.4659 126 I 3.7554 7.8285 120.5494 64.1371 37.0687 178.1109 127 K 3.7778 8.1110 120.6367 59.6378 31.9896 178.5407 128 R 3.8181 7.9185 118.6191 59.4347 29.9442 178.2579 129 L 3.9149 8.0541 120.0118 58.1836 42.1094 178.9207 130 S 4.1067 8.5196 115.5517 61.7864 62.7776 176.6752 131 E 3.9273 8.2511 121.1252 59.4388 29.0987 179.1704 132 N 3.7920 7.9813 116.5923 55.7065 38.4248 177.1447 133 L 4.1473 8.0110 122.0049 58.2484 42.2122 178.7327 134 E 3.9544 8.1269 119.1221 59.2699 29.6056 178.8053 135 I 3.6684 7.6250 119.7588 64.3152 37.1587 178.4624 136 W 4.5115 8.2788 120.0667 59.6420 28.8330 178.6001 137 K 4.0024 8.3857 119.5980 59.4644 31.5125 178.7208 138 K 3.9374 7.9786 118.5723 59.5607 32.2049 178.3549 139 K 4.2834 8.2450 116.5530 56.5658 32.1281 177.3385 140 G 3.9290 8.0163 107.1586 46.9309 0.0000 174.1484 141 E 4.4152 8.4405 116.8498 55.4320 30.1413 175.8150 142 L 4.3828 7.6721 122.1871 53.8095 42.5269 176.8268 143 T 4.2406 8.4259 117.5748 60.4939 71.1953 173.6616 144 P 4.2223 0.0000 0.0000 66.1275 31.4784 179.1264 145 T 3.8917 7.7746 107.9738 64.8862 68.8889 176.4844 146 Q 3.9441 7.9860 120.9442 58.5779 28.6912 178.4129 147 E 3.9620 8.3949 120.4725 59.2232 29.6103 178.7827 148 I 3.7455 7.6360 119.6394 64.8031 37.1788 178.4668 149 T 3.8496 7.8183 110.0653 64.8991 68.3733 176.5823 150 I 3.5764 7.8738 122.5102 63.9537 37.1751 178.3422 151 K 3.9425 8.1727 119.4113 59.6418 31.8961 178.6627 152 Y 4.0965 8.3846 119.8562 60.6748 38.7763 178.4282 153 G 3.5965 8.5382 106.7517 47.8395 0.0000 175.6598 154 L 4.0969 8.2982 121.9205 57.2966 41.5304 179.3882 155 A 3.9428 8.0165 120.7041 55.2006 18.1901 179.3576 156 Q 3.7711 7.8432 117.9011 59.5839 29.1431 178.3188 157 Y 4.4249 7.7275 117.5518 61.2466 37.9531 178.6411 158 K 4.1180 8.6710 120.1819 59.2723 32.2668 179.6890 159 S 4.1456 8.4417 115.2999 61.7130 63.0299 176.7257 160 T 4.0044 7.7984 113.7733 64.0307 68.5614 176.6390 161 K 3.8926 8.1702 122.5852 59.2200 32.1418 178.6147 162 K 4.1575 8.1673 121.2457 58.8651 32.1014 178.7584 163 V 3.5990 7.6885 118.0492 66.1471 31.4621 178.0632 164 L 4.0696 7.8012 118.0580 57.8074 41.3828 179.2856 165 E 3.9818 8.5310 118.8999 59.6509 29.2170 179.3918 166 E 4.1001 8.2900 117.5657 59.2125 29.5913 178.7488 167 E 4.0992 8.2650 119.5718 59.3154 29.5191 178.9316 168 L 4.0243 7.9309 117.7756 57.1019 41.7715 178.3378 169 A 4.4572 7.7828 120.3350 52.5286 19.0941 177.9424 170 K 4.0249 7.5787 124.3563 54.9474 31.7541 181.9373 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 M 8.20 4.81 0.00 2.17 2.32 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.70 0.00 2 Q 8.77 4.37 0.00 2.21 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.19 6.61 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 3 G 8.57 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 0.00 0.00 0.00 4 K 7.87 3.94 0.00 1.91 2.01 0.00 1.47 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.40 7.81 5 D 7.53 3.96 0.00 2.28 1.62 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 6 I 7.26 3.56 1.43 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.51 0.27 0.00 0.00 7 I 7.59 3.57 1.71 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.55 0.76 0.00 0.00 8 L 7.80 4.07 0.00 1.66 1.68 0.87 0.77 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 9 G 8.02 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 10 I 7.76 3.77 1.96 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.68 0.91 0.00 0.00 11 L 7.80 4.59 0.00 1.69 1.70 0.92 0.78 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 12 S 7.65 4.22 0.00 4.05 4.10 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 13 K 7.90 4.45 0.00 1.76 1.89 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.42 7.81 14 K 7.32 4.69 0.00 1.71 1.68 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.58 7.81 15 E 8.64 4.45 0.00 1.87 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 2.33 2.36 0.00 16 R 8.95 4.90 0.00 1.79 1.82 0.00 3.16 0.00 0.00 3.45 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 17 S 8.87 4.66 0.00 3.80 4.02 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 18 G 9.18 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 0.00 0.00 0.00 19 Y 7.73 4.44 0.00 3.06 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 20 E 8.39 4.06 0.00 2.16 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 2.38 2.42 0.00 21 I 7.98 3.68 1.97 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 1.41 0.79 0.80 0.00 0.00 22 N 8.45 4.22 0.00 2.89 3.06 0.00 0.00 6.91 9.27 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 23 D 8.23 4.32 0.00 3.02 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 I 8.04 3.75 2.04 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.65 1.03 0.00 0.00 25 L 7.88 3.86 0.00 1.64 1.64 0.68 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.23 4.18 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.51 0.00 0.00 0.00 0.00 0.00 2.73 2.54 0.00 27 N 8.36 4.91 0.00 2.93 2.81 0.00 0.00 6.88 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 28 Q 8.08 4.61 0.00 2.37 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.98 0.00 0.00 0.00 0.00 0.00 2.20 2.46 0.00 29 L 7.94 4.22 0.00 1.39 0.75 0.90 0.88 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 30 S 8.23 4.72 0.00 4.02 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 31 Y 8.34 4.91 0.00 3.31 3.32 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 32 F 7.40 4.81 0.00 2.86 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 33 Y 7.12 4.23 0.00 2.79 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.08 4.79 0.00 2.85 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.01 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 36 T 8.25 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 1.19 0.00 0.00 *37 Y 8.17 4.05 0.00 2.35 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 0.00 0.00 0.00 0.00 38 G 8.67 3.95 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 0.00 0.00 0.00 39 M 8.05 4.14 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.53 0.00 40 I 7.40 3.40 1.58 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.85 0.01 0.00 0.00 41 Y 7.27 4.22 0.00 3.08 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 42 P 0.00 4.34 0.00 2.16 2.12 0.00 3.76 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.23 0.00 43 T 7.92 3.87 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 1.12 0.00 0.00 44 L 8.27 3.82 0.00 1.67 1.38 0.45 0.20 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 45 R 8.07 3.95 0.00 2.05 2.01 0.00 3.16 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.94 0.00 46 K 8.19 3.94 0.00 1.82 1.78 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.48 7.81 47 L 8.09 3.94 0.00 1.68 1.69 0.83 0.89 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 48 E 8.17 4.33 0.00 2.24 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 2.34 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2.32 0.00 74 S 8.11 4.32 0.00 4.05 4.13 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 75 G 8.05 3.59 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 0.00 76 K 8.35 3.99 0.00 1.98 1.87 0.00 1.83 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.63 7.81 77 K 8.11 3.91 0.00 2.02 1.81 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.45 7.81 78 E 8.06 3.92 0.00 2.21 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 0.00 2.30 2.35 0.00 79 L 8.26 3.94 0.00 1.77 1.80 0.96 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 80 A 7.97 4.00 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 81 S 8.29 4.21 0.00 4.06 3.95 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 82 Y 8.27 3.97 0.00 3.09 3.13 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 91 I 8.20 4.44 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 1.33 0.77 0.91 0.00 0.00 92 F 8.51 4.81 0.00 2.89 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 93 K 8.05 3.95 0.00 1.57 1.54 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.70 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.25 1.32 7.81 94 S 7.70 4.37 0.00 3.51 3.59 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 95 D 8.52 4.32 0.00 2.83 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.31 4.19 0.00 3.20 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 97 L 8.13 3.77 0.00 1.79 1.74 1.19 0.95 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 98 M 8.08 4.15 0.00 2.24 2.19 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 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2.99 2.96 0.00 0.00 6.24 8.07 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 0.00 108 D 8.52 4.38 0.00 2.79 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 0.00 109 D 8.03 4.34 0.00 2.69 2.72 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 0.00 110 D 8.64 4.36 0.00 2.93 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 0.00 111 L 8.02 3.95 0.00 1.78 1.82 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 112 E 8.40 3.95 0.00 2.18 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 2.33 2.34 0.00 113 Q 8.36 3.96 0.00 2.24 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.53 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 114 L 8.01 4.11 0.00 2.09 2.02 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 115 I 8.09 3.89 2.08 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 1.83 0.97 0.97 0.00 0.00 116 R 8.38 3.91 0.00 1.84 1.98 0.00 3.13 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.87 0.00 117 E 8.48 3.99 0.00 2.15 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 0.00 2.33 2.63 0.00 118 E 8.14 3.72 0.00 1.17 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 1.47 1.94 0.00 119 I 7.80 3.59 1.98 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 1.48 0.64 0.93 0.00 0.00 120 E 8.05 4.16 0.00 2.25 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 2.33 2.09 0.00 121 R 7.87 3.86 0.00 1.93 1.90 0.00 3.21 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.79 0.00 122 K 8.10 3.74 0.00 1.85 1.80 0.00 1.77 0.00 0.00 1.57 0.00 0.00 3.10 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.57 1.60 7.81 123 E 8.38 3.91 0.00 2.09 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 2.30 2.36 0.00 124 E 8.24 3.99 0.00 2.07 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 0.00 2.30 2.22 0.00 125 K 7.90 3.86 0.00 1.12 0.83 0.00 1.46 0.00 0.00 1.52 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.45 7.81 126 I 7.83 3.76 1.97 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 1.56 0.58 0.94 0.00 0.00 127 K 8.11 3.78 0.00 1.83 1.93 0.00 1.61 0.00 0.00 1.54 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.43 7.81 128 R 7.92 3.82 0.00 1.90 1.99 0.00 3.17 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 129 L 8.05 3.91 0.00 1.99 1.80 0.31 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 130 S 8.52 4.11 0.00 4.05 3.89 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 0.00 0.00 0.00 0.00 131 E 8.25 3.93 0.00 2.07 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 2.28 2.46 0.00 132 N 7.98 3.79 0.00 2.37 1.48 0.00 0.00 6.65 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 L 8.01 4.15 0.00 1.87 1.91 1.02 0.89 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 0.00 134 E 8.13 3.95 0.00 2.08 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 0.00 2.29 2.35 0.00 135 I 7.63 3.67 1.58 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 1.44 0.75 0.81 0.00 0.00 136 W 8.28 4.51 0.00 3.56 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 0.00 137 K 8.39 4.00 0.00 2.16 1.85 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.50 7.81 138 K 7.98 3.94 0.00 1.82 2.08 0.00 1.86 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.51 7.81 139 K 8.25 4.28 0.00 2.14 1.95 0.00 1.90 0.00 0.00 1.92 0.00 0.00 3.12 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.50 7.81 140 G 8.02 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 0.00 0.00 0.00 141 E 8.44 4.42 0.00 2.10 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 2.30 2.46 0.00 142 L 7.67 4.38 0.00 1.67 1.62 0.95 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 143 T 8.43 4.24 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 1.14 0.00 0.00 144 P 0.00 4.22 0.00 2.15 2.14 0.00 3.56 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 2.10 2.14 0.00 145 T 7.77 3.89 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 1.17 0.00 0.00 146 Q 7.99 3.94 0.00 2.17 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.84 0.00 0.00 0.00 0.00 0.00 2.22 2.24 0.00 147 E 8.39 3.96 0.00 2.13 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 2.33 2.38 0.00 148 I 7.64 3.75 2.03 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 1.59 0.63 0.94 0.00 0.00 149 T 7.82 3.85 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 1.08 0.00 0.00 150 I 7.87 3.58 2.02 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.92 0.87 0.00 0.00 151 K 8.17 3.94 0.00 2.03 1.90 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.69 7.81 152 Y 8.38 4.10 0.00 3.10 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 0.00 153 G 8.54 3.60 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 0.00 154 L 8.30 4.10 0.00 1.69 1.77 0.94 0.93 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 0.00 155 A 8.02 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 0.00 156 Q 7.84 3.77 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.76 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 157 Y 7.73 4.42 0.00 3.22 2.87 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 0.00 158 K 8.67 4.12 0.00 1.84 1.88 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.50 1.64 7.81 159 S 8.44 4.15 0.00 4.02 4.13 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 0.00 160 T 7.80 4.00 4.31 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 1.27 0.00 0.00 161 K 8.17 3.89 0.00 1.99 2.01 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.58 1.43 7.81 162 K 8.17 4.16 0.00 2.01 1.98 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.58 1.32 7.81 163 V 7.69 3.60 2.28 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 1.03 0.00 0.00 0.99 0.00 0.00 164 L 7.80 4.07 0.00 1.89 1.72 0.69 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 165 E 8.53 3.98 0.00 2.14 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 2.33 2.47 0.00 166 E 8.29 4.10 0.00 2.14 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 0.00 2.35 2.43 0.00 167 E 8.27 4.10 0.00 2.13 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 2.36 2.43 0.00 168 L 7.93 4.02 0.00 1.84 1.73 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 169 A 7.78 4.46 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 0.00 170 K 7.58 4.02 0.00 1.76 1.62 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.40 1.28 7.81 * Residues marked with a * may have inaccurate shift predictions.