NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 3.9972 8.0393 114.0471 61.3965 33.3709 175.3635 3 T 4.0292 7.6909 109.6267 59.4333 70.0034 168.2562 4 V 3.8387 8.3173 120.8356 65.1082 32.3776 177.4079 5 G 3.9968 9.6186 116.9931 45.0402 0.0000 173.6051 6 K 4.3745 7.7599 119.2097 55.6975 33.8038 176.5616 7 S 4.7699 8.4796 118.1389 58.2511 63.4613 174.3283 8 A 3.9641 8.9324 127.6317 51.2701 18.6353 175.8028 9 P 4.2235 0.0000 0.0000 62.5448 32.0483 175.7801 10 Y 4.1609 8.6588 123.0550 58.3408 38.9389 175.2816 11 F 4.8246 6.7040 119.0180 55.3600 42.1540 173.7352 12 S 4.6330 8.4406 114.5948 57.3108 64.4122 172.8696 13 L 4.9947 8.9213 127.4401 52.1189 45.8783 174.5396 14 P 4.9833 0.0000 0.0000 62.6355 33.3372 176.2944 15 N 5.8472 8.8313 119.4447 51.3775 39.5535 175.3070 16 E 4.3299 9.0074 116.4663 59.1632 29.5167 177.9375 17 K 4.4030 8.6362 116.7532 55.8704 32.3020 177.3491 18 G 3.9981 8.4157 107.5076 45.1394 0.0000 173.3346 19 E 4.3279 8.0938 121.7858 55.3478 30.9971 175.5412 20 K 4.5896 8.7744 126.9492 56.3915 33.0320 176.2304 21 L 4.9713 9.1170 125.2092 53.2299 45.0111 175.7234 22 S 4.7243 8.3840 116.6942 55.1883 67.2971 174.9966 23 R 3.9345 7.8124 120.5272 59.5628 29.8083 177.1734 24 S 4.4583 7.9595 109.2773 58.3349 63.3575 174.0146 25 A 4.2252 7.8680 124.9536 52.2099 18.1552 179.1227 26 E 3.9954 8.6124 119.6885 59.1326 29.7751 179.7948 27 R 3.9636 7.6857 113.9280 57.7673 29.7737 177.0378 28 F 5.1260 7.0176 116.5598 57.7970 41.2673 176.3289 29 R 3.9825 8.0745 117.3117 57.1713 29.6711 175.8076 30 N 4.3247 8.8176 118.2176 54.9895 37.4707 173.4885 31 R 4.8452 7.4667 113.0620 54.0119 35.4051 174.8182 32 Y 4.5807 8.8654 119.4891 58.1124 39.3526 174.7933 33 L 4.8055 9.0529 125.9808 53.0886 45.0610 174.7404 34 L 4.7643 8.1699 129.5916 54.1289 43.0213 175.5276 35 L 4.6788 8.8415 127.6115 53.0267 43.9233 175.1513 36 N 5.3520 8.8850 121.9899 51.0908 39.8213 173.5327 37 F 5.1933 9.4018 124.1980 56.4688 40.8391 175.2452 38 W 5.3058 8.8619 119.4389 56.2822 32.0351 172.7709 39 A 3.7466 8.0583 118.9250 50.3211 21.2408 177.9572 40 S 4.2463 9.0756 116.3582 60.9552 63.1684 176.1539 41 W 4.5766 7.4583 115.4517 57.5064 28.2532 176.2044 42 C 4.5183 7.5558 116.4024 60.2194 28.2561 173.8049 43 D 4.6886 7.8687 120.3386 53.0541 41.1394 174.4705 44 P 4.5655 0.0000 0.0000 63.0057 32.9093 176.4373 45 Q 4.6530 8.1892 116.9054 53.3932 29.5810 174.2044 46 P 4.2525 0.0000 0.0000 65.8570 31.9771 178.4697 47 E 3.9143 8.1430 117.1012 58.9907 29.7211 178.6318 48 A 3.9967 8.0043 121.7903 54.9276 18.3838 179.2340 49 N 4.4224 8.4880 114.6315 56.0324 38.5959 177.6661 50 A 3.9799 8.1276 122.5399 55.0329 18.4905 179.2595 51 E 3.8562 8.0880 117.6606 59.4364 29.7354 179.0830 52 L 3.7608 7.7833 118.7625 57.6193 41.6474 179.6530 53 K 4.0704 8.3853 118.8205 59.3149 31.9170 179.2392 54 R 3.8521 8.0237 118.9502 59.6561 30.1018 178.6719 55 L 4.0181 7.8893 118.5805 57.6316 41.3155 179.0617 56 N 4.4198 7.8803 116.5723 56.3730 39.1544 177.0421 57 K 4.1091 8.1217 119.9220 59.5519 32.0528 178.7891 58 E 3.6346 7.9550 118.6178 58.8914 29.7191 177.2332 59 Y 4.6396 7.7400 113.9534 57.4654 38.4209 177.1146 60 K 3.8947 7.8339 124.1464 59.4494 32.0669 177.6756 61 K 4.3047 7.8615 114.2634 56.3814 32.7483 175.8555 62 N 4.5912 8.2172 119.5188 53.0599 38.5514 175.5018 63 K 4.3316 8.7737 125.2769 58.0787 32.5987 177.1059 64 N 4.9685 9.0357 118.1771 52.9770 38.9359 173.1875 65 F 5.5521 7.9574 116.3611 56.7522 42.6593 173.9450 66 A 4.0989 8.0803 127.1858 50.7388 22.8471 173.8430 *68 L 4.5256 8.5745 115.1243 55.3664 43.7846 177.4489 69 G 4.8074 9.2499 114.4204 45.9473 0.0000 172.2933 70 I 4.7001 8.7520 126.7912 59.5535 39.4061 174.6542 71 S 4.2292 8.4408 122.6635 56.3180 63.9087 173.5053 72 L 4.5863 8.0705 125.3064 54.6603 42.7991 176.5865 73 D 5.0441 7.8820 119.8389 54.8056 41.1996 177.1297 74 I 4.6201 8.4593 112.6045 60.4623 39.2879 175.4125 75 D 4.6537 7.9542 120.7152 51.9943 44.0533 175.6946 76 R 4.1778 8.0814 126.7676 59.1790 30.1635 177.9547 77 E 3.9297 8.2955 118.7124 59.1751 29.7196 178.4542 78 A 4.0661 8.0944 120.4032 54.9077 18.4850 179.0851 79 W 4.4833 8.4622 126.8171 61.1129 30.7612 177.9777 80 E 3.6589 8.7817 118.5887 59.6108 28.8102 179.5538 81 T 3.8347 8.1656 115.5471 66.6544 68.5461 176.5820 82 A 4.0714 8.3545 122.7222 55.0349 18.3798 179.6416 83 I 3.3408 7.8358 118.4428 64.3521 37.0308 178.8624 84 K 3.8225 8.0360 119.1124 59.4142 31.8038 179.3988 85 K 3.8583 8.1310 119.1537 59.0060 32.1583 176.9541 86 D 4.6196 7.9820 115.5408 53.3361 41.4271 176.1142 87 T 3.3427 7.2671 114.8844 64.6466 66.5717 174.6315 88 L 3.2625 7.2946 120.8453 53.8455 39.7752 177.7293 89 S 4.1101 7.4923 115.2608 59.1637 64.0380 175.4858 90 W 4.5878 7.6083 118.1345 55.3474 29.2682 175.0635 91 D 4.6437 8.8510 117.7465 55.1941 41.5879 176.0580 92 Q 5.1589 8.7405 120.0748 54.4741 32.8992 174.5937 93 V 5.1370 8.8838 116.1887 60.0922 36.5139 174.1209 94 C 4.1585 7.6307 118.3324 58.5555 34.4957 173.2878 95 D 4.3554 8.1712 123.9960 52.1507 39.5521 175.7930 96 F 4.5074 6.6849 115.8280 58.5094 36.2750 175.9044 97 T 4.2571 7.9160 110.4050 60.9914 70.6586 175.6949 98 G 4.5280 7.8215 110.3965 44.6211 0.0000 173.7211 99 L 4.0000 8.8008 118.1264 58.3785 41.6990 178.3010 100 S 4.4340 7.9599 111.3291 58.5769 63.0007 174.4923 101 S 4.2750 8.1209 118.3652 57.9286 63.0637 174.3520 102 E 3.9739 8.9439 129.4864 59.8211 29.4028 179.0280 103 T 4.0372 7.9166 114.9566 66.5918 68.6016 176.2955 104 A 3.6744 7.8930 122.2287 54.8876 18.2884 179.5390 105 K 3.8313 8.0388 117.9610 59.9911 32.1537 179.1145 106 Q 3.9928 8.4360 117.0633 58.8743 28.6906 177.5979 107 Y 4.0514 8.2002 114.8088 56.8932 38.6314 174.9450 108 A 3.7623 7.9207 122.2422 53.0123 16.7874 177.8470 109 I 3.9658 7.8699 121.3548 61.7063 38.1184 176.5523 110 L 4.4956 8.5058 124.5486 55.5368 43.2740 176.0961 111 T 4.8104 7.5224 105.6455 59.7977 72.0832 172.2891 112 L 5.0355 8.1568 120.4636 52.2025 44.7681 175.0682 113 P 4.9363 0.0000 0.0000 63.0893 33.0497 175.6269 114 T 4.7161 8.7625 117.0601 62.3711 73.0803 172.6004 115 N 5.4319 8.9421 123.6990 52.1303 41.0014 173.9717 116 I 5.0649 8.7453 123.6532 59.4876 40.7712 174.0479 117 L 4.9687 8.9867 129.9312 53.7138 43.6664 175.0655 118 L 5.3992 9.2436 126.6574 53.0110 44.7498 176.6363 119 S 4.6259 9.1710 117.3528 56.5476 64.3017 173.5194 120 P 4.7710 0.0000 0.0000 64.5595 31.0034 177.5073 121 T 4.2894 7.8622 106.2648 61.2031 69.0921 175.1227 122 G 3.9100 8.8934 110.3010 45.9478 0.0000 173.3615 123 K 4.7708 7.6738 118.7023 54.9127 33.3615 176.1027 124 I 4.3939 8.4740 124.3218 61.6745 37.2752 176.5235 125 L 4.0359 9.1116 127.5224 55.8052 43.2622 176.9323 126 A 4.6780 7.6728 118.1199 50.8499 22.5161 175.3550 127 R 4.7224 8.4022 119.6322 54.7783 33.4404 175.1792 128 D 4.3186 8.4688 122.0778 55.1329 40.2994 173.1961 129 I 4.2789 7.5940 116.7243 59.7447 39.6802 173.9107 130 Q 4.4925 8.5671 123.4440 55.7761 32.0561 174.4942 131 G 3.7365 8.4428 105.9829 46.8266 0.0000 176.0407 132 E 3.8737 8.8521 118.5096 59.4316 29.5962 178.3584 133 A 3.8378 8.1277 120.3321 55.3204 18.2188 179.4143 134 L 3.8539 7.8038 117.9047 58.5304 42.2718 179.0552 135 T 3.9228 7.8323 115.8302 66.6388 68.4248 176.3595 136 G 3.7544 8.6998 108.0468 48.0630 0.0000 175.4899 137 K 3.9216 8.0341 122.4968 58.9671 32.2044 178.8558 138 L 3.7361 7.9627 119.2267 56.9200 41.2062 179.3540 139 K 3.9003 7.7101 119.2122 59.3888 32.2902 177.9387 140 E 4.0224 7.7333 118.0583 59.6293 29.6293 178.7169 141 L 3.9327 7.6340 117.0231 56.6386 41.6396 177.6755 142 L 4.2623 7.5338 122.8358 54.6643 41.9023 176.1310 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 V 8.04 4.00 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 0.79 0.00 0.00 0.92 0.00 0.00 3 T 7.69 4.03 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 1.20 0.00 0.00 4 V 8.32 3.84 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 0.88 0.00 0.00 0.98 0.00 0.00 5 G 9.62 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 6 K 7.76 4.37 0.00 1.86 1.71 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.55 7.81 7 S 8.48 4.77 0.00 3.74 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 8 A 8.93 3.96 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 9 P 0.00 4.22 0.00 2.01 2.00 0.00 2.59 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.88 0.00 10 Y 8.66 4.16 0.00 2.89 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 11 F 6.70 4.82 0.00 3.01 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 12 S 8.44 4.63 0.00 3.75 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 13 L 8.92 4.99 0.00 1.58 1.36 0.64 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 14 P 0.00 4.98 0.00 2.18 2.21 0.00 3.53 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.96 0.00 15 N 8.83 5.85 0.00 3.15 3.16 0.00 0.00 6.88 8.22 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 16 E 9.01 4.33 0.00 1.96 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 1.64 2.16 0.00 17 K 8.64 4.40 0.00 1.88 1.85 0.00 1.64 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.43 7.81 18 G 8.42 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 19 E 8.09 4.33 0.00 2.11 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 2.40 2.37 0.00 20 K 8.77 4.59 0.00 1.74 1.79 0.00 1.80 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.48 1.52 7.81 21 L 9.12 4.97 0.00 1.80 1.89 1.14 0.61 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 22 S 8.38 4.72 0.00 3.70 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 23 R 7.81 3.93 0.00 1.43 1.85 0.00 3.26 0.00 0.00 3.31 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 24 S 7.96 4.46 0.00 4.05 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 25 A 7.87 4.23 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 26 E 8.61 4.00 0.00 2.00 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 2.39 2.29 0.00 27 R 7.69 3.96 0.00 1.63 1.80 0.00 2.26 0.00 0.00 2.93 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.50 0.00 28 F 7.02 5.13 0.00 3.43 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.07 3.98 0.00 1.94 1.98 0.00 3.21 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.59 0.00 30 N 8.82 4.32 0.00 2.85 2.93 0.00 0.00 6.85 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 R 7.47 4.85 0.00 1.93 1.81 0.00 3.35 0.00 0.00 3.45 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.89 0.00 32 Y 8.87 4.58 0.00 3.30 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 33 L 9.05 4.81 0.00 1.63 1.43 0.41 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.17 4.76 0.00 1.76 1.37 1.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 35 L 8.84 4.68 0.00 1.50 1.04 0.63 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 36 N 8.89 5.35 0.00 2.77 2.91 0.00 0.00 6.56 8.76 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 37 F 9.40 5.19 0.00 3.08 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.86 5.31 0.00 3.48 3.15 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 0.00 0.00 0.00 39 A 8.06 3.75 -0.27 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 40 S 9.08 4.25 0.00 4.13 4.35 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 41 W 7.46 4.58 0.00 3.54 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 42 C 7.56 4.52 0.00 2.87 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 43 D 7.87 4.69 0.00 2.96 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.57 0.00 2.20 2.07 0.00 3.75 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 45 Q 8.19 4.65 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.94 0.00 0.00 0.00 0.00 0.00 2.39 2.32 0.00 46 P 0.00 4.25 0.00 2.27 2.32 0.00 3.72 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.04 0.00 47 E 8.14 3.91 0.00 2.19 2.26 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 2.37 2.33 0.00 48 A 8.00 4.00 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 49 N 8.49 4.42 0.00 2.86 2.90 0.00 0.00 6.93 7.30 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 50 A 8.13 3.98 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 51 E 8.09 3.86 0.00 2.11 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 2.28 2.36 0.00 52 L 7.78 3.76 0.00 1.71 0.97 0.96 0.52 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 53 K 8.39 4.07 0.00 1.92 1.93 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.68 1.80 7.81 54 R 8.02 3.85 0.00 2.02 2.08 0.00 3.06 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 1.57 1.63 0.00 55 L 7.89 4.02 0.00 1.82 1.74 0.88 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 56 N 7.88 4.42 0.00 2.49 3.02 0.00 0.00 7.26 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.12 4.11 0.00 1.96 1.80 0.00 1.73 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.60 7.81 58 E 7.96 3.63 0.00 1.77 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 1.65 1.97 0.00 59 Y 7.74 4.64 0.00 3.16 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 60 K 7.83 3.89 0.00 2.06 1.90 0.00 1.81 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.51 7.81 61 K 7.86 4.30 0.00 1.80 1.86 0.00 1.80 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.43 7.81 62 N 8.22 4.59 0.00 2.95 3.06 0.00 0.00 7.10 6.06 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 63 K 8.77 4.33 0.00 1.85 1.90 0.00 1.84 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.41 7.81 64 N 9.04 4.97 0.00 2.84 2.92 0.00 0.00 6.46 7.70 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 65 F 7.96 5.55 0.00 2.92 2.89 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 66 A 8.08 4.10 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 *68 L 8.57 4.53 0.00 1.40 1.23 1.08 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 69 G 9.25 4.81 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 0.00 0.00 0.00 70 I 8.75 4.70 0.71 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.11 0.60 0.00 0.00 71 S 8.44 4.23 0.00 3.05 2.98 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 72 L 8.07 4.59 0.00 1.55 1.81 1.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 73 D 7.88 5.04 0.00 2.48 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 74 I 8.46 4.62 1.91 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 1.33 0.70 0.95 0.00 0.00 75 D 7.95 4.65 0.00 2.77 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.08 4.18 0.00 1.10 1.17 0.00 3.05 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 77 E 8.30 3.93 0.00 2.12 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 0.00 2.39 2.47 0.00 78 A 8.09 4.07 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 0.00 0.00 79 W 8.46 4.48 0.00 3.58 3.63 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.78 3.66 0.00 1.99 1.88 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 2.57 2.53 0.00 81 T 8.17 3.83 4.43 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 1.23 0.00 0.00 82 A 8.35 4.07 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.84 3.34 1.65 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.50 0.68 0.00 0.00 84 K 8.04 3.82 0.00 1.71 1.78 0.00 1.58 0.00 0.00 1.41 0.00 0.00 2.75 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.57 1.52 7.81 85 K 8.13 3.86 0.00 1.68 1.96 0.00 1.79 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.41 7.81 86 D 7.98 4.62 0.00 2.64 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 87 T 7.27 3.34 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 1.17 0.00 0.00 88 L 7.29 3.26 0.00 0.97 0.54 0.52 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 89 S 7.49 4.11 0.00 3.99 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 90 W 7.61 4.59 0.00 3.38 3.37 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 91 D 8.85 4.64 0.00 2.97 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 92 Q 8.74 5.16 0.00 2.02 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.77 0.00 0.00 0.00 0.00 0.00 2.24 1.98 0.00 93 V 8.88 5.14 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.84 0.00 0.00 94 C 7.63 4.16 0.00 1.23 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 95 D 8.17 4.36 0.00 2.68 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 96 F 6.68 4.51 0.00 3.25 3.38 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.92 4.26 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 98 G 7.82 4.53 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 0.00 0.00 0.00 99 L 8.80 4.00 0.00 1.58 1.78 1.19 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 100 S 7.96 4.43 0.00 3.86 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 0.00 101 S 8.12 4.27 0.00 3.93 3.79 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 0.00 102 E 8.94 3.97 0.00 2.14 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 2.42 2.53 0.00 103 T 7.92 4.04 4.36 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 1.28 0.00 0.00 104 A 7.89 3.67 1.30 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 0.00 105 K 8.04 3.83 0.00 1.90 2.08 0.00 1.53 0.00 0.00 1.64 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.54 7.81 106 Q 8.44 3.99 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.76 0.00 0.00 0.00 0.00 0.00 2.42 2.74 0.00 107 Y 8.20 4.05 0.00 2.82 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 0.00 108 A 7.92 3.76 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 0.00 109 I 7.87 3.97 1.53 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 -0.36 0.72 0.00 0.00 110 L 8.51 4.50 0.00 1.60 1.69 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 111 T 7.52 4.81 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 1.23 0.00 0.00 112 L 8.16 5.04 0.00 1.42 1.51 0.53 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 113 P 0.00 4.94 0.00 2.16 2.16 0.00 3.76 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.16 0.00 114 T 8.76 4.72 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 1.24 0.00 0.00 115 N 8.94 5.43 0.00 2.91 2.75 0.00 0.00 6.91 7.49 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 0.00 116 I 8.75 5.06 2.04 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.43 1.14 0.00 0.00 117 L 8.99 4.97 0.00 1.81 1.59 1.07 0.75 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 0.00 118 L 9.24 5.40 0.00 1.62 1.59 1.11 0.87 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 0.00 119 S 9.17 4.63 0.00 3.81 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 0.00 120 P 0.00 4.77 0.00 1.83 2.09 0.00 3.16 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.16 0.00 121 T 7.86 4.29 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 1.17 0.00 0.00 122 G 8.89 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 0.00 123 K 7.67 4.77 0.00 1.83 1.74 0.00 1.95 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.55 7.81 124 I 8.47 4.39 2.05 0.00 0.00 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 1.34 0.97 0.98 0.00 0.00 125 L 9.11 4.04 0.00 1.66 1.78 1.18 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 126 A 7.67 4.68 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 0.00 127 R 8.40 4.72 0.00 1.68 1.84 0.00 3.61 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 128 D 8.47 4.32 0.00 2.77 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 0.00 129 I 7.59 4.28 1.89 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.98 0.93 0.00 0.00 130 Q 8.57 4.49 0.00 2.23 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.72 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 131 G 8.44 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 0.00 132 E 8.85 3.87 0.00 2.01 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 2.39 2.37 0.00 133 A 8.13 3.84 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 0.00 134 L 7.80 3.85 0.00 1.87 1.83 0.91 0.82 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 0.00 135 T 7.83 3.92 4.33 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 1.19 0.00 0.00 136 G 8.70 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 0.00 0.00 0.00 137 K 8.03 3.92 0.00 1.98 1.87 0.00 1.49 0.00 0.00 1.63 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.44 7.81 138 L 7.96 3.74 0.00 1.50 1.03 0.61 0.32 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 0.00 139 K 7.71 3.90 0.00 1.94 1.86 0.00 1.80 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.46 7.81 140 E 7.73 4.02 0.00 1.97 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 2.27 2.33 0.00 141 L 7.63 3.93 0.00 1.10 0.75 0.64 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 142 L 7.53 4.26 0.00 1.48 1.43 0.69 -0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.