NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 C 5.2271 8.3548 120.0296 56.1995 44.2517 172.8934 4 P 4.5127 0.0000 0.0000 61.1561 32.6018 175.6915 5 D 4.7051 9.4932 124.1965 55.3050 41.8686 175.7381 6 S 4.7702 9.0426 117.0880 57.0000 67.8078 173.0676 7 S 5.0461 8.5325 116.8260 56.7685 66.1006 173.1827 8 E 4.7103 8.8772 123.7577 54.4292 33.2515 173.8814 9 E 5.0859 8.8607 124.8851 54.7557 31.5424 175.3418 10 V 4.4822 9.3971 125.4577 61.0175 34.6218 174.1195 11 V 4.6541 8.5872 127.6407 61.4765 32.7792 174.9336 12 G 4.3091 9.6720 115.4187 44.3668 0.0000 171.5138 13 V 4.8075 7.9990 119.7304 60.4276 33.9358 174.8976 14 S 4.2891 8.7976 122.6749 60.1268 62.6292 173.9086 15 G 4.2110 9.7493 113.9169 46.0880 0.0000 173.0114 16 K 4.8123 7.5687 118.3544 53.1761 35.6105 174.0309 17 P 5.0127 0.0000 0.0000 62.9253 32.4968 175.9477 18 V 4.4304 8.4239 120.5228 60.1171 34.4126 174.1637 19 Q 4.5549 8.7159 123.7029 54.6167 30.2715 175.6005 20 L 4.2735 8.7058 125.4495 53.0667 42.3056 174.2322 21 R 4.9516 8.2874 123.7559 53.6695 31.3222 173.9287 22 P 4.8176 0.0000 0.0000 62.5575 32.3743 175.3204 23 S 4.7088 8.2141 113.7198 56.7633 66.7312 173.3068 24 N 4.1472 8.5983 115.7253 54.2857 35.2605 173.3024 25 I 4.8786 7.0613 109.8215 58.8543 41.5037 175.1452 26 Q 4.4123 8.4719 122.4256 55.0384 29.9888 175.3600 27 T 4.3097 8.2697 113.2294 61.1556 70.5206 174.0441 28 K 4.2961 7.8558 121.8762 55.9724 33.9157 176.0051 29 D 4.2690 8.5915 122.9971 55.7726 37.9829 172.5775 30 V 4.7241 7.0887 109.5946 59.5448 36.7398 176.5410 31 S 4.3449 8.6624 116.2851 56.3260 65.7048 173.1701 32 V 4.6299 7.8370 122.3135 61.1236 34.3584 174.1806 33 Q 5.0667 8.8049 125.5121 54.0136 33.0941 173.8840 34 W 5.2249 9.2117 123.7608 54.9909 31.7925 175.2323 35 K 5.2356 9.4298 123.0049 54.5244 36.4066 175.0217 36 K 4.9241 9.0082 122.7293 54.6970 35.4043 175.9290 37 T 4.2395 8.6558 123.7239 63.9222 69.3074 173.4673 38 E 3.3980 8.3588 119.4704 57.4516 25.9000 176.6620 *44 K 4.1090 7.7363 116.8253 56.4897 32.6745 175.5677 45 I 4.4614 8.9927 126.6655 59.7316 38.5035 175.1205 46 E 4.5705 8.9185 126.2168 56.4344 30.4076 176.0488 47 I 4.6063 9.3093 124.6311 62.7957 39.1934 175.4307 48 L 5.1237 7.7723 122.1152 53.6876 45.8317 173.9671 49 N 5.5148 8.8635 121.3664 51.2638 43.1028 173.3711 50 W 5.2670 9.4635 132.8116 56.1646 32.7856 172.7375 51 Y 4.8634 8.5261 130.5762 56.9788 39.2096 177.2284 52 N 4.4600 9.2317 119.4904 56.3317 37.5964 175.5390 53 D 4.7569 8.4100 117.4597 53.7951 41.2089 176.8912 54 G 3.8936 7.9627 105.7315 44.0793 0.0000 172.0066 55 P 4.2512 0.0000 0.0000 62.4814 32.0627 175.9092 56 S 4.4386 8.2484 114.4165 56.4862 66.5323 173.6457 57 W 5.0973 8.4972 121.7164 57.3695 29.3411 176.2933 58 S 4.6398 9.1191 117.3967 59.2939 63.5753 174.4684 59 N 4.7468 7.3811 116.8259 50.3741 41.5765 175.5639 60 V 3.6579 8.2100 121.3349 65.9697 31.6739 178.4916 61 S 4.0803 7.8812 113.4262 61.0966 62.7635 176.2234 62 F 4.4323 7.8283 121.7208 59.9924 38.3081 177.1861 63 S 4.0218 6.9857 112.3016 60.4235 62.9268 175.4996 64 D 4.4479 7.7413 122.0416 56.2809 40.9900 178.1786 65 I 3.6763 7.0991 119.6564 62.3848 37.6177 174.9551 66 Y 5.1505 7.1283 115.2676 56.0067 40.8452 175.4220 67 G 4.5634 9.1154 108.5666 44.7149 0.0000 171.9516 68 F 5.5399 8.7051 121.8071 56.6138 42.5957 172.9693 69 D 4.5701 8.6934 126.6868 53.4363 41.7504 176.8661 70 Y 4.0581 8.8961 124.4493 61.0232 38.4579 177.5172 71 G 3.7851 8.5213 108.0247 47.9512 0.0000 173.7355 72 D 4.4638 7.7822 115.2766 51.9153 40.0516 176.4556 73 F 4.2611 8.5139 116.6966 57.9037 37.4748 174.8394 74 A 4.4119 8.0848 123.7691 52.6129 19.2942 176.6058 75 L 4.6781 8.1284 125.1630 53.6363 43.6351 175.4456 76 S 5.0734 8.8301 120.4604 56.5346 66.4962 172.8433 77 I 4.3142 8.5214 124.1122 60.2227 37.8920 176.8404 78 K 3.9236 8.7673 127.8382 59.0603 32.8269 177.4992 79 S 4.5253 7.7288 115.8959 56.1813 64.7671 172.9046 80 A 4.5977 9.2820 130.9919 51.9739 19.3695 176.2003 81 K 4.4809 9.4291 120.1097 54.7601 36.0162 177.2105 82 L 3.7155 8.8578 121.0149 58.2692 41.5930 179.5158 83 Q 4.2255 7.9374 113.6571 57.7536 28.8947 176.7221 84 D 4.5829 8.7710 119.8473 56.7983 41.1924 177.1551 85 S 4.3373 7.4845 114.4082 59.0366 63.5615 174.7642 86 G 4.0116 7.6116 109.7269 44.2371 0.0000 170.6115 87 H 5.4463 8.3184 119.8727 54.8215 31.6565 173.5333 88 Y 5.3530 9.1595 123.3473 56.2103 41.4638 174.4628 89 L 5.2191 9.1290 123.8309 53.3406 45.8660 174.6309 90 L 4.1912 8.8646 128.8837 53.3298 43.8456 174.5717 91 E 4.9532 8.8065 126.9337 54.8982 31.7750 175.0577 92 I 4.7398 8.7637 126.0989 59.8520 39.7545 174.3389 93 T 5.0258 8.5736 122.8781 60.4051 69.8483 173.7025 94 N 5.0631 8.2847 126.1813 51.4134 40.0886 175.5666 95 T 3.8663 8.5477 107.9583 64.7176 68.9445 175.5141 96 G 3.6089 8.0939 108.8003 45.9314 0.0000 174.3546 97 G 3.8606 8.1172 107.9755 45.2264 0.0000 173.8793 98 K 4.1817 7.9240 120.4745 56.2235 32.9058 176.6425 99 V 4.4449 8.3625 119.1306 60.6734 33.0174 176.0462 100 C 5.0747 9.2438 125.1995 54.8172 47.7311 172.0362 101 N 5.3485 8.8637 123.7065 51.5709 40.7570 173.8224 102 K 4.5962 9.0638 124.8933 54.8652 34.0717 175.2282 103 N 5.3642 8.6288 123.5834 51.8898 41.0539 174.5651 104 F 5.1735 9.2139 120.5651 55.9464 43.2884 173.4234 105 Q 4.8552 9.8578 126.4824 54.6467 30.6773 173.6801 106 L 5.2057 8.9371 129.5993 53.3480 44.5049 174.5447 107 L 5.0191 9.3262 128.7769 53.4438 44.3326 174.8262 108 I 4.8342 9.2548 129.1475 60.1596 38.3927 175.3063 109 L 4.4825 9.1262 128.4590 53.0905 43.2996 177.0108 110 D 4.5715 8.9254 122.5662 55.0409 40.8010 176.6952 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 3 C 8.35 5.23 0.00 2.93 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 4 P 0.00 4.51 0.00 2.04 1.94 0.00 3.73 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.16 0.00 5 D 9.49 4.71 0.00 2.52 2.59 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 6 S 9.04 4.77 0.00 3.60 3.53 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 7 S 8.53 5.05 0.00 3.67 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 8 E 8.88 4.71 0.00 1.73 1.71 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 2.26 2.27 0.00 9 E 8.86 5.09 0.00 1.91 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 2.27 2.31 0.00 10 V 9.40 4.48 2.19 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 0.99 0.00 0.00 1.17 0.00 0.00 11 V 8.59 4.65 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 0.96 0.00 0.00 12 G 9.67 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 0.00 0.00 0.00 0.00 13 V 8.00 4.81 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 0.96 0.00 0.00 0.93 0.00 0.00 14 S 8.80 4.29 0.00 3.85 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 G 9.75 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 0.00 0.00 0.00 0.00 16 K 7.57 4.81 0.00 1.89 1.67 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.48 7.81 17 P 0.00 5.01 0.00 2.04 2.02 0.00 3.68 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 18 V 8.42 4.43 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 0.81 0.00 0.00 0.84 0.00 0.00 19 Q 8.72 4.55 0.00 1.93 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.10 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 20 L 8.71 4.27 0.00 0.89 0.40 0.05 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 21 R 8.29 4.95 0.00 1.99 1.92 0.00 3.26 0.00 0.00 3.32 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 22 P 0.00 4.82 0.00 2.38 2.37 0.00 4.00 0.00 0.00 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 23 S 8.21 4.71 0.00 3.97 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 24 N 8.60 4.15 0.00 2.92 2.84 0.00 0.00 6.29 7.11 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 25 I 7.06 4.88 1.88 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.51 0.95 0.00 0.00 26 Q 8.47 4.41 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.87 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 27 T 8.27 4.31 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 0.40 0.00 0.00 28 K 7.86 4.30 0.00 1.71 1.73 0.00 1.87 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.39 7.81 29 D 8.59 4.27 0.00 2.73 2.65 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 0.00 0.00 0.00 0.00 30 V 7.09 4.72 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 0.75 0.00 0.00 1.01 0.00 0.00 31 S 8.66 4.34 0.00 2.72 3.41 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 32 V 7.84 4.63 1.86 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 0.72 0.00 0.00 0.00 0.00 0.00 33 Q 8.80 5.07 0.00 1.98 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.55 0.00 0.00 0.00 0.00 0.00 2.73 2.46 0.00 34 W 9.21 5.22 0.00 3.20 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 35 K 9.43 5.24 0.00 1.76 1.72 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.84 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.42 1.41 7.81 36 K 9.01 4.92 0.00 1.54 1.47 0.00 1.31 0.00 0.00 1.50 0.00 0.00 2.70 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.92 0.21 7.81 37 T 8.66 4.24 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 1.22 0.00 0.00 38 E 8.36 3.40 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.26 0.00 *44 K 7.74 4.11 0.00 1.79 1.88 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.38 1.50 7.81 45 I 8.99 4.46 2.01 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 1.35 0.79 1.09 0.00 0.00 46 E 8.92 4.57 0.00 2.06 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 2.33 2.42 0.00 47 I 9.31 4.61 2.03 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.85 0.42 0.00 0.00 48 L 7.77 5.12 0.00 1.61 1.39 -0.63 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 49 N 8.86 5.51 0.00 2.70 2.81 0.00 0.00 6.34 7.27 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 50 W 9.46 5.27 0.00 3.00 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 51 Y 8.53 4.86 0.00 3.08 2.80 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 52 N 9.23 4.46 0.00 2.88 3.03 0.00 0.00 5.75 8.06 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 53 D 8.41 4.76 0.00 2.72 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 54 G 7.96 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 0.00 0.00 0.00 55 P 0.00 4.25 0.00 1.35 0.99 0.00 3.08 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.44 0.00 56 S 8.25 4.44 0.00 3.81 3.83 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 57 W 8.50 5.10 0.00 3.25 3.33 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 58 S 9.12 4.64 0.00 4.11 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 59 N 7.38 4.75 0.00 1.44 1.82 0.00 0.00 6.79 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 V 8.21 3.66 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 1.09 0.00 0.00 0.92 0.00 0.00 61 S 7.88 4.08 0.00 4.07 4.06 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 62 F 7.83 4.43 0.00 2.92 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 63 S 6.99 4.02 0.00 4.26 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 64 D 7.74 4.45 0.00 2.74 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 65 I 7.10 3.68 1.04 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.43 -0.28 0.00 0.00 66 Y 7.13 5.15 0.00 2.07 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 G 9.12 4.56 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 0.00 0.00 0.00 68 F 8.71 5.54 0.00 2.86 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 69 D 8.69 4.57 0.00 2.74 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 70 Y 8.90 4.06 0.00 2.89 3.18 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 71 G 8.52 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 0.00 0.00 0.00 72 D 7.78 4.46 0.00 2.65 2.65 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 0.00 0.00 0.00 0.00 73 F 8.51 4.26 0.00 3.40 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 74 A 8.08 4.41 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 75 L 8.13 4.68 0.00 0.27 0.13 0.63 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 76 S 8.83 5.07 0.00 3.92 3.86 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 77 I 8.52 4.31 1.76 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.74 0.80 0.00 0.00 78 K 8.77 3.92 0.00 1.60 1.80 0.00 1.65 0.00 0.00 1.72 0.00 0.00 3.13 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.35 7.81 79 S 7.73 4.53 0.00 3.78 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 80 A 9.28 4.60 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 81 K 9.43 4.48 0.00 1.73 1.82 0.00 1.40 0.00 0.00 1.62 0.00 0.00 2.76 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.26 1.37 7.81 82 L 8.86 3.72 0.00 1.77 1.80 0.99 0.82 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 83 Q 7.94 4.23 0.00 2.17 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 7.13 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 84 D 8.77 4.58 0.00 2.81 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 85 S 7.48 4.34 0.00 4.02 3.88 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 0.00 0.00 0.00 86 G 7.61 4.01 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 0.00 0.00 0.00 87 H 8.32 5.45 0.00 3.43 3.18 0.00 5.82 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 Y 9.16 5.35 0.00 3.24 3.21 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 0.00 89 L 9.13 5.22 0.00 1.80 1.54 0.97 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 90 L 8.86 4.19 0.00 0.69 1.14 0.98 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 91 E 8.81 4.95 0.00 1.87 1.79 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 2.21 2.23 0.00 92 I 8.76 4.74 1.87 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.61 0.95 0.00 0.00 93 T 8.57 5.03 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 1.16 0.00 0.00 94 N 8.28 5.06 0.00 2.79 2.91 0.00 0.00 6.49 6.57 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 95 T 8.55 3.87 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 1.21 0.00 0.00 96 G 8.09 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 97 G 8.12 3.86 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 0.00 0.00 0.00 98 K 7.92 4.18 0.00 1.90 1.74 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.44 1.41 7.81 99 V 8.36 4.44 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 0.64 0.00 0.00 0.92 0.00 0.00 100 C 9.24 5.07 0.00 2.89 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 0.00 101 N 8.86 5.35 0.00 2.80 2.68 0.00 0.00 6.48 8.41 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 0.00 102 K 9.06 4.60 0.00 1.62 1.63 0.00 1.59 0.00 0.00 1.59 0.00 0.00 2.83 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.57 7.81 103 N 8.63 5.36 0.00 2.72 2.82 0.00 0.00 6.37 8.98 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 0.00 104 F 9.21 5.17 0.00 3.11 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 0.00 105 Q 9.86 4.86 0.00 2.27 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 106 L 8.94 5.21 0.00 2.00 1.96 0.99 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 107 L 9.33 5.02 0.00 1.79 1.54 0.96 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 108 I 9.25 4.83 1.90 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 1.28 1.14 0.93 0.00 0.00 109 L 9.13 4.48 0.00 1.81 1.59 0.94 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 110 D 8.93 4.57 0.00 2.66 2.63 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 * Residues marked with a * may have inaccurate shift predictions.