NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.5857 8.1933 115.3503 57.6848 64.5055 174.5325 2 L 4.0369 8.1762 121.3864 57.0464 41.2782 178.6084 3 W 4.3154 8.6385 120.1938 60.0275 29.5048 178.0483 4 Q 4.1138 8.0904 117.9458 58.7381 28.0634 178.3455 5 F 4.6307 8.6170 122.1200 61.4249 39.4212 177.4036 6 G 3.6087 8.5802 105.7160 47.7702 0.0000 175.7674 7 K 4.1460 8.0901 120.7109 59.4148 32.0046 179.2993 8 M 4.2382 8.3645 118.8979 58.5962 31.9702 178.6509 9 I 3.6876 7.6883 119.7746 64.8087 37.1051 178.3561 10 N 4.7618 8.0727 115.6382 56.3252 38.3796 176.6778 11 Y 4.2528 8.0128 120.5383 60.5131 39.0030 177.6057 12 V 3.7196 8.0117 118.0443 65.4129 32.3324 177.1185 13 M 4.3060 8.6611 116.7920 55.0155 32.4290 175.9517 *15 G 4.4065 7.2004 107.2569 44.8693 0.0000 173.3727 16 E 3.9370 8.7395 119.8575 58.3984 29.8259 177.6236 17 S 4.5114 8.0467 111.8028 58.4456 64.0302 175.8487 18 G 3.9844 8.0523 111.5104 49.2769 0.0000 175.7354 19 V 3.5679 8.8375 120.6505 65.2197 31.6750 178.3461 20 L 4.2750 8.0262 119.5800 57.7095 42.2090 177.4603 21 Q 4.4641 7.9596 116.5094 57.1675 29.4235 176.0595 22 Y 4.2473 8.3166 115.3460 59.4070 39.2050 177.4200 23 L 4.4330 7.8937 116.7052 55.9088 41.7965 177.1894 24 S 4.4668 7.6962 113.9429 57.9273 63.5311 172.5206 25 Y 4.9592 7.8235 121.5346 57.6030 41.2090 176.2051 26 G 3.5733 7.5596 113.8795 47.0236 0.0000 173.4210 27 C 4.7754 9.1448 115.5553 57.1571 40.0096 174.2366 28 Y 4.4723 8.6241 115.8257 57.6128 39.4938 176.6444 29 C 4.7717 8.2350 117.2006 58.9142 41.0279 174.9229 30 G 3.9362 7.3244 111.5812 45.1376 0.0000 172.8003 31 L 4.7888 8.0124 121.1839 53.6085 45.5559 175.6526 32 G 3.8981 8.2993 105.5031 46.6458 0.0000 174.8247 33 G 3.2204 8.4157 106.0718 44.3186 0.0000 172.9991 34 Q 4.5668 7.7602 118.6067 54.7559 32.3707 176.8300 35 G 4.0450 8.9265 105.9073 44.8968 0.0000 171.8832 36 Q 4.8483 8.2035 118.5236 53.2045 30.5794 174.0063 37 P 4.6402 0.0000 0.0000 63.0732 31.9145 176.8229 38 T 3.7200 9.3196 114.0544 64.3553 69.2123 173.8416 39 D 4.3603 7.1642 118.5121 51.6163 42.0629 174.9152 40 A 3.9877 8.7473 119.5889 56.3197 18.4732 180.0630 41 T 4.0130 7.9640 113.6642 66.9668 68.5906 176.2851 42 D 4.6709 8.8119 119.9906 57.3125 41.2247 178.2180 43 R 3.9674 8.2957 119.6098 59.4695 29.9917 177.8260 44 C 4.3562 8.1928 116.1445 60.3092 38.4216 175.4212 45 C 4.3608 8.1337 116.9145 59.4805 39.6002 175.9478 46 F 3.7880 8.2317 122.6296 61.2531 39.0108 177.3374 47 V 3.4550 7.9835 117.8737 66.0948 31.1802 177.3414 48 H 3.9252 8.0510 117.9993 59.2401 29.6048 176.9142 49 D 4.1347 8.2519 120.9214 57.6715 40.4699 178.2343 50 C 4.1206 7.5413 115.4643 59.9683 40.1674 175.0802 51 C 4.3132 8.3056 119.6544 59.9566 37.7040 174.9749 52 Y 4.2038 8.2638 118.7193 60.9890 37.2501 178.8087 53 G 3.5408 8.2480 106.6993 47.2509 0.0000 175.2249 *57 K 4.4700 7.7543 117.1095 55.6332 33.9796 175.6834 58 V 3.8281 7.3593 119.6916 62.3891 31.7240 175.1780 59 T 4.5141 8.4258 123.6866 62.6943 71.0705 173.8170 60 G 4.0956 9.4868 114.0719 45.7249 0.0000 171.7464 61 C 4.6131 7.6265 112.6088 53.8710 45.3071 172.1584 *67 D 4.7570 8.2829 117.0323 53.5565 40.9155 174.1309 68 P 3.9211 0.0000 0.0000 64.7859 31.8675 177.9523 69 K 4.2039 8.3370 119.7663 58.4872 32.5280 178.2604 70 I 4.1542 7.7651 117.1015 62.7494 38.5026 176.2716 71 D 4.4665 7.8407 119.1640 54.5585 41.1526 176.1047 72 S 4.5639 8.4072 119.2242 57.4418 64.1861 172.8882 73 Y 4.9325 7.8604 121.5416 55.4509 40.8333 174.3437 74 T 4.9732 8.3928 115.8190 62.3521 70.6636 173.8457 75 Y 5.4570 8.5248 123.1114 56.6160 41.1842 173.3744 76 S 4.2329 8.9880 112.8990 56.6119 66.9722 173.2175 77 K 4.5417 8.1003 120.9308 54.6169 33.5037 175.7127 78 K 4.5445 9.0364 125.6926 56.3373 35.5634 175.3511 79 N 4.2430 10.0148 121.4573 54.4680 36.1467 175.5446 80 G 3.8069 8.7572 104.1921 45.8196 0.0000 173.3589 81 D 5.0994 8.5146 119.5499 52.2988 43.8726 174.7012 82 V 4.9776 8.2415 119.4622 61.2433 34.0951 174.5999 83 V 4.4993 8.6345 127.3191 61.3576 34.1711 173.6255 84 C 5.0807 8.8797 124.7930 56.0437 41.6593 173.7606 85 G 3.5466 8.9818 110.5614 47.5393 0.0000 171.8881 86 G 4.0661 9.2536 110.2534 45.3096 0.0000 172.2436 87 D 4.6847 8.3249 116.1058 54.0371 42.7043 176.2150 88 D 4.5600 7.8542 119.5494 52.3122 42.0858 174.5886 *90 P 4.3694 0.0000 0.0000 62.7761 33.6050 179.5637 91 C 4.2456 8.7235 117.8838 59.7077 41.4654 175.8695 92 K 3.9135 8.1838 119.6462 59.2040 31.7099 179.1520 93 K 3.9225 8.2241 120.0946 59.4685 32.0974 178.8937 94 Q 3.9496 7.9827 118.2178 58.7800 28.5629 178.8415 95 I 3.5065 7.3003 120.8541 64.5608 37.1258 177.5413 96 C 3.1544 7.7246 119.1683 59.3968 40.8822 175.5284 97 E 3.7786 8.1093 120.0977 59.4505 29.1197 178.5821 98 C 4.2146 8.0185 116.4739 60.1178 36.4583 176.0242 99 D 3.9111 8.0058 120.5819 57.2406 40.5736 179.0755 100 R 3.9766 8.1439 116.9524 59.2382 29.4794 179.0712 101 V 3.5196 7.8111 118.8178 65.6056 31.6213 177.9193 102 A 3.7079 7.8163 120.6289 55.1709 18.3065 179.7608 103 T 3.4460 7.7981 108.6169 64.8768 68.8857 176.9844 104 T 3.9678 7.7490 111.8850 64.1732 68.7475 175.9509 105 C 4.3717 7.6930 121.4729 59.4523 43.3616 175.4063 106 F 4.4179 7.2522 118.3650 60.5928 38.6380 177.1646 107 R 4.0503 7.8508 117.8228 59.7470 29.6727 178.2949 108 D 4.4958 8.2242 117.3146 56.5272 40.9785 177.5801 109 N 5.0106 7.8098 115.5235 52.8912 39.1263 176.8054 110 K 4.1453 7.9585 123.9136 60.2344 32.1621 178.5496 111 D 4.4479 8.2705 118.9724 56.6291 40.9286 176.8708 112 T 4.5297 7.7721 106.9693 61.0643 69.2060 174.0180 113 Y 4.0410 7.6551 123.5683 58.1536 39.3716 175.1270 114 D 4.6978 8.4731 125.5511 52.4335 44.0102 175.9987 115 I 3.9521 8.6691 120.6612 62.9103 37.6845 177.8052 116 K 3.8531 8.0409 122.3308 59.1344 32.0920 176.7439 117 Y 4.0352 7.5946 114.8636 56.9910 38.1010 174.7828 118 W 4.5385 7.9488 131.7091 58.1865 31.6052 176.1319 119 F 3.4479 8.4784 126.2090 58.5812 36.3333 175.2193 120 Y 4.4189 7.6388 119.5568 57.3381 39.3037 175.3045 121 G 3.7044 7.9864 113.5412 44.8430 0.0000 174.7673 122 A 4.0496 8.4279 124.1712 54.6267 18.9965 180.1072 123 K 3.7540 7.4107 114.0691 59.4007 32.3297 178.2256 *125 N 4.5848 7.9495 113.7659 52.8372 40.1225 175.3940 126 C 4.9856 7.9254 114.2451 56.7984 40.7215 174.8538 127 Q 4.3193 7.5321 124.0803 54.1188 26.9423 173.9053 128 E 4.6681 7.5982 119.2208 53.6252 33.2100 175.2017 129 K 3.9442 8.6625 119.7788 57.3663 32.3194 176.1159 130 S 5.1480 8.4894 122.0545 57.7415 63.8087 173.4887 131 E 4.3207 8.3093 126.5294 55.4076 29.8191 174.7997 132 P 4.7046 0.0000 0.0000 62.4180 32.9058 177.0319 133 C 4.4724 8.6251 117.1343 57.4724 41.1992 173.7931 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 S 8.19 4.59 0.00 4.21 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 0.00 2 L 8.18 4.04 0.00 1.37 1.68 0.88 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 3 W 8.64 4.32 0.00 3.38 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 4 Q 8.09 4.11 0.00 1.81 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.79 0.00 0.00 0.00 0.00 0.00 2.40 2.29 0.00 5 F 8.62 4.63 0.00 3.31 3.34 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 6 G 8.58 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 7 K 8.09 4.15 0.00 2.24 2.10 0.00 1.82 0.00 0.00 1.78 0.00 0.00 3.07 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.84 1.84 7.81 8 M 8.36 4.24 0.00 2.21 2.44 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.76 0.00 9 I 7.69 3.69 1.93 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.52 0.86 0.00 0.00 10 N 8.07 4.76 0.00 2.81 2.96 0.00 0.00 7.06 7.25 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 11 Y 8.01 4.25 0.00 3.11 3.27 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 12 V 8.01 3.72 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 0.88 0.00 0.00 1.12 0.00 0.00 13 M 8.66 4.31 0.00 2.03 2.16 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 2.18 2.60 0.00 *15 G 7.20 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.74 3.94 0.00 1.96 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 0.00 2.32 2.35 0.00 17 S 8.05 4.51 0.00 3.99 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 G 8.05 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 0.00 0.00 0.00 19 V 8.84 3.57 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 0.96 0.00 0.00 1.01 0.00 0.00 20 L 8.03 4.27 0.00 1.79 2.00 1.35 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 21 Q 7.96 4.46 0.00 1.69 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.53 0.00 0.00 0.00 0.00 0.00 2.12 2.53 0.00 22 Y 8.32 4.25 0.00 2.86 2.34 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 23 L 7.89 4.43 0.00 1.77 1.71 0.87 0.87 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 24 S 7.70 4.47 0.00 2.72 3.23 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 25 Y 7.82 4.96 0.00 3.01 2.84 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 26 G 7.56 3.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 C 9.14 4.78 0.00 3.09 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 28 Y 8.62 4.47 0.00 3.30 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 29 C 8.24 4.77 0.00 3.30 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 G 7.32 3.94 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 0.00 0.00 0.00 31 L 8.01 4.79 0.00 1.62 1.58 1.06 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 32 G 8.30 3.90 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 0.00 0.00 0.00 33 G 8.42 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 0.00 0.00 0.00 34 Q 7.76 4.57 0.00 2.10 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.52 0.00 0.00 0.00 0.00 0.00 2.09 2.50 0.00 35 G 8.93 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 Q 8.20 4.85 0.00 2.08 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.74 0.00 0.00 0.00 0.00 0.00 2.34 2.45 0.00 37 P 0.00 4.64 0.00 1.80 1.83 0.00 3.47 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.44 0.00 38 T 9.32 3.72 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 0.57 0.00 0.00 39 D 7.16 4.36 0.00 2.80 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 40 A 8.75 3.99 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 T 7.96 4.01 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 42 D 8.81 4.67 0.00 2.97 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 43 R 8.30 3.97 0.00 2.04 2.16 0.00 3.19 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.76 0.00 44 C 8.19 4.36 0.00 3.55 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 C 8.13 4.36 0.00 3.50 3.50 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 46 F 8.23 3.79 0.00 2.77 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 47 V 7.98 3.46 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 0.80 0.00 0.00 1.05 0.00 0.00 48 H 8.05 3.93 0.00 3.24 3.30 0.00 5.65 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 8.25 4.13 0.00 2.78 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 50 C 7.54 4.12 0.00 2.87 2.97 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 51 C 8.31 4.31 0.00 2.97 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 52 Y 8.26 4.20 0.00 3.12 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 53 G 8.25 3.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *57 K 7.75 4.47 0.00 1.87 1.89 0.00 1.76 0.00 0.00 0.61 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.53 7.81 58 V 7.36 3.83 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 0.65 0.00 0.00 0.82 0.00 0.00 59 T 8.43 4.51 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 1.19 0.00 0.00 60 G 9.49 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 0.00 0.00 0.00 61 C 7.63 4.61 0.00 3.30 3.14 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 *67 D 8.28 4.76 0.00 2.70 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 68 P 0.00 3.92 0.00 0.66 0.74 0.00 3.54 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 1.72 1.75 0.00 69 K 8.34 4.20 0.00 1.87 2.00 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.42 7.81 70 I 7.77 4.15 1.99 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.04 0.98 0.00 0.00 71 D 7.84 4.47 0.00 2.84 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 72 S 8.41 4.56 0.00 3.83 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 73 Y 7.86 4.93 0.00 2.97 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 T 8.39 4.97 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 1.27 0.00 0.00 75 Y 8.52 5.46 0.00 3.14 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 76 S 8.99 4.23 0.00 3.71 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 77 K 8.10 4.54 0.00 0.98 0.74 0.00 1.44 0.00 0.00 1.73 0.00 0.00 2.64 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.04 1.25 7.81 78 K 9.04 4.54 0.00 1.70 1.58 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.43 7.81 79 N 10.01 4.24 0.00 2.90 2.88 0.00 0.00 7.02 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 80 G 8.76 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 0.00 0.00 0.00 81 D 8.51 5.10 0.00 2.78 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 V 8.24 4.98 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 0.94 0.00 0.00 1.12 0.00 0.00 83 V 8.63 4.50 2.09 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 0.94 0.00 0.00 0.95 0.00 0.00 84 C 8.88 5.08 0.00 2.84 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 85 G 8.98 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 0.00 0.00 0.00 0.00 86 G 9.25 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 87 D 8.32 4.68 0.00 2.65 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 88 D 7.85 4.56 0.00 2.68 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 *90 P 0.00 4.37 0.00 2.23 2.11 0.00 3.70 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 91 C 8.72 4.25 0.00 2.96 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 K 8.18 3.91 0.00 1.89 1.96 0.00 1.76 0.00 0.00 2.07 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.56 1.51 7.81 93 K 8.22 3.92 0.00 1.93 1.77 0.00 1.63 0.00 0.00 1.63 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.54 7.81 94 Q 7.98 3.95 0.00 2.32 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.58 0.00 0.00 0.00 0.00 0.00 2.34 2.69 0.00 95 I 7.30 3.51 2.11 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 1.19 0.81 0.89 0.00 0.00 96 C 7.72 3.15 0.00 1.69 2.82 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 97 E 8.11 3.78 0.00 2.12 1.91 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 2.46 2.43 0.00 98 C 8.02 4.21 0.00 3.27 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 99 D 8.01 3.91 0.00 2.83 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 R 8.14 3.98 0.00 2.03 2.16 0.00 2.74 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.59 0.00 101 V 7.81 3.52 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 0.94 0.00 0.00 0.91 0.00 0.00 102 A 7.82 3.71 1.17 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 0.00 103 T 7.80 3.45 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 1.44 0.00 0.00 104 T 7.75 3.97 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 1.21 0.00 0.00 105 C 7.69 4.37 0.00 3.07 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 0.00 106 F 7.25 4.42 0.00 2.92 2.17 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 0.00 107 R 7.85 4.05 0.00 1.90 2.12 0.00 3.08 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 108 D 8.22 4.50 0.00 2.85 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 0.00 109 N 7.81 5.01 0.00 2.80 2.87 0.00 0.00 6.64 8.62 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 0.00 110 K 7.96 4.15 0.00 1.98 2.15 0.00 1.32 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.59 1.52 7.81 111 D 8.27 4.45 0.00 2.73 2.82 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 0.00 112 T 7.77 4.53 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 1.26 0.00 0.00 113 Y 7.66 4.04 0.00 2.91 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 0.00 114 D 8.47 4.70 0.00 2.79 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 0.00 115 I 8.67 3.95 2.01 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 1.32 0.50 0.88 0.00 0.00 116 K 8.04 3.85 0.00 1.57 1.38 0.00 1.56 0.00 0.00 1.20 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.00 1.25 7.81 117 Y 7.59 4.04 0.00 1.62 1.66 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 0.00 118 W 7.95 4.54 0.00 3.34 3.51 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 0.00 119 F 8.48 3.45 0.00 2.39 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 0.00 120 Y 7.64 4.42 0.00 2.87 2.91 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 0.00 121 G 7.99 3.70 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 0.00 0.00 0.00 122 A 8.43 4.05 1.26 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 0.00 0.00 123 K 7.41 3.75 0.00 1.76 1.71 0.00 1.61 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.36 7.81 *125 N 7.95 4.58 0.00 2.01 2.12 0.00 0.00 6.80 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 C 7.93 4.99 0.00 3.06 3.23 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 0.00 127 Q 7.53 4.32 0.00 2.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.67 0.00 0.00 0.00 0.00 0.00 2.32 2.27 0.00 128 E 7.60 4.67 0.00 2.11 2.00 0.00 0.00 0.00 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 2.26 0.00 129 K 8.66 3.94 0.00 1.73 1.82 0.00 1.69 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.59 7.81 130 S 8.49 5.15 0.00 3.90 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 0.00 131 E 8.31 4.32 0.00 2.03 1.57 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 0.00 2.26 2.15 0.00 132 P 0.00 4.70 0.00 2.17 2.09 0.00 3.86 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.04 0.00 133 C 8.63 4.47 0.00 2.93 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 * Residues marked with a * may have inaccurate shift predictions.