NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.6900 8.1400 114.8032 57.6747 64.5526 173.9336 2 L 3.7734 8.0201 121.0899 57.9099 41.3309 178.2430 3 F 4.2139 8.6261 118.9912 60.3788 39.2732 177.1161 4 E 4.0811 8.0840 117.8725 59.1326 29.3799 178.7309 5 L 4.1864 8.0321 120.5565 58.2310 42.2144 179.1519 6 G 3.7176 8.2945 105.7309 47.8199 0.0000 175.4219 7 K 4.0759 7.9579 121.9723 59.3968 32.1641 178.7125 8 M 3.9160 8.1566 118.8987 58.5203 31.8416 178.7600 9 I 3.4375 7.6719 119.7493 64.0858 37.1644 178.3389 10 W 4.3325 8.1585 130.4310 60.0970 30.3123 178.1092 11 Q 3.1587 8.0939 117.3986 58.4516 27.9676 178.0481 12 E 4.1076 7.8401 118.9997 58.2680 29.8321 178.1111 13 T 4.3517 7.9758 108.1032 60.5676 70.0602 175.6704 14 G 3.4684 7.7501 109.0324 45.4782 0.0000 173.1510 15 K 4.6247 7.3961 118.2057 53.5945 35.1487 175.3037 16 N 4.4385 8.7160 120.9760 53.0790 39.3688 173.8623 17 P 4.5249 0.0000 0.0000 66.0767 31.9829 177.9594 18 V 3.7911 8.1024 118.4936 65.5887 31.8280 177.7341 19 K 4.1151 8.6064 119.6302 59.5369 32.3189 177.6165 20 N 4.5750 8.0164 115.1755 54.8614 38.7105 176.3818 *22 Y 5.3029 7.2335 112.8398 57.4461 39.8222 176.1480 23 G 3.9096 8.3952 110.9611 48.1502 0.0000 175.6888 24 L 4.6420 7.8879 117.3142 54.6274 44.0438 174.9105 25 Y 4.5957 7.8715 120.6191 58.1572 39.9450 176.2898 26 G 3.4046 7.5805 115.9065 47.2164 0.0000 173.3355 27 C 4.5772 8.8698 117.2965 59.9486 28.9765 173.7344 28 N 5.0150 8.5266 114.9935 52.8866 40.5332 174.1586 29 C 4.6551 8.1810 115.9227 57.3698 41.9104 174.6498 30 G 4.2988 8.5424 110.8917 46.2534 0.0000 174.7907 31 V 3.5683 8.4216 117.7424 62.7952 31.9581 176.5076 32 G 3.9726 8.8148 109.3790 45.0666 0.0000 174.1995 33 G 4.0693 7.9766 110.5933 45.7512 0.0000 174.0264 34 R 4.7430 8.0541 124.6148 54.6766 32.5991 174.2976 35 G 4.0892 8.6532 105.5274 45.4712 0.0000 172.6992 36 E 4.1264 9.0461 122.3495 55.4383 29.8094 175.0064 37 P 4.5056 0.0000 0.0000 63.3033 31.2416 176.7067 38 L 4.0311 9.4435 124.1713 57.2393 42.0676 176.0345 39 D 4.5899 7.5252 115.3905 51.3933 41.9691 175.0879 40 A 4.0041 8.8945 119.7628 56.0713 18.0668 179.8486 41 T 3.8329 8.0000 113.6055 66.9471 68.5783 176.1261 42 D 4.5138 8.9722 120.1891 57.5209 41.1325 178.5075 43 R 3.9967 8.3133 118.8545 59.3124 29.9761 178.6237 44 C 4.1757 8.1208 116.6046 63.3803 28.2469 175.7344 45 C 3.8783 8.1703 117.9586 59.5057 36.0335 176.0283 46 F 3.9185 8.1424 122.4807 61.3027 39.0023 177.3388 47 V 3.5980 8.1842 118.1053 66.1622 31.2299 177.3523 48 H 3.7547 8.0694 117.9589 59.2267 29.3637 177.5165 49 K 3.6170 7.3642 118.5877 59.2541 32.0238 178.9259 50 C 4.0808 7.5395 117.3503 62.6358 27.7429 175.4751 51 C 4.0536 7.7189 119.6892 62.6926 31.5713 175.0280 52 Y 4.5011 7.6439 117.2360 60.2704 37.0112 178.4894 53 K 3.9175 7.9166 120.4690 58.8751 31.9138 178.6343 *57 K 4.3285 7.7419 115.1936 56.1358 34.3135 175.5944 58 L 4.1664 7.7917 122.3476 55.4761 40.9114 177.1212 59 T 4.5246 8.4053 115.3665 60.6671 70.4911 171.4159 60 D 5.0456 7.9394 117.7508 54.2467 42.1117 174.7560 61 C 4.7290 7.4782 112.1831 57.5954 32.3299 172.4464 *67 D 4.7030 8.6850 118.5729 54.0261 40.9085 176.1381 68 S 4.0358 8.2478 121.8033 59.8271 63.5695 175.9177 69 K 4.1380 9.0170 123.2672 58.0322 32.5637 177.9817 70 K 4.3778 7.9658 115.1526 57.0794 33.9044 176.5052 71 D 4.5046 8.2604 120.4447 54.1278 41.0457 175.8851 72 R 4.6254 8.6912 123.1262 54.8890 31.2424 175.1499 73 Y 4.9912 7.7232 117.7953 55.4187 41.3736 173.9168 74 S 5.0945 8.8450 115.2118 57.2474 63.9070 172.4592 75 Y 5.3383 8.3411 122.9161 56.1595 40.9455 173.7424 76 K 4.4381 9.5027 119.3536 54.4349 36.3789 175.5508 77 W 5.3568 8.8975 134.2135 55.7842 31.2172 174.5491 78 K 4.3196 8.2129 125.2476 55.3452 35.3565 176.6629 79 N 3.7351 9.0882 118.6424 54.4954 35.9183 174.4105 80 K 2.6076 7.4415 111.3922 56.7455 30.0658 175.4235 81 A 4.7255 6.8069 119.9020 50.3017 22.0204 175.7020 82 I 5.2057 8.4530 120.9565 59.9368 39.0299 175.4489 83 V 4.4509 9.0447 127.1245 60.9774 33.8686 174.4296 84 C 4.4554 8.8187 126.6421 60.2384 29.0917 173.5367 *86 G 4.2725 8.2819 109.8207 46.3009 0.0000 173.2844 87 K 4.4019 8.8293 117.9021 55.5620 30.5466 175.6841 88 N 5.1260 7.8481 118.3921 50.6443 41.9452 175.4232 89 Q 4.2524 8.3523 118.0695 55.0416 30.8264 175.4805 90 P 4.1772 0.0000 0.0000 66.3679 31.4316 178.3019 91 C 4.0744 8.0582 116.4320 62.9586 31.4808 175.5078 92 M 4.1316 7.9843 119.7267 58.3268 31.5401 178.3936 93 Q 3.8392 8.3630 120.1193 59.0744 29.2092 178.0157 94 E 3.9243 8.2877 119.7764 59.3877 29.4413 179.0025 95 M 4.0241 7.9670 118.3155 58.7873 32.2663 177.7650 96 C 3.2234 7.6537 118.8699 62.3539 31.5699 175.4850 97 E 3.9568 8.2828 120.1386 59.2255 29.0603 179.1748 98 C 4.1306 8.0032 117.0082 62.9800 28.1853 175.7952 99 D 4.5256 8.3258 120.4577 57.2211 40.5597 178.7063 100 K 3.8409 8.3881 120.1985 59.6276 32.1921 178.6870 101 A 4.0441 8.0194 120.9502 54.9397 18.2593 179.4050 102 F 4.2769 8.2244 118.7859 61.5555 39.3815 177.1984 103 A 3.5254 8.1126 120.6150 55.1312 18.0891 179.7352 104 I 3.6628 7.6221 117.9373 64.4527 36.9442 178.1005 105 C 4.0781 7.9733 118.7773 62.4906 31.5751 175.3773 106 L 3.9563 7.6896 120.4743 57.6667 40.9706 179.4679 107 R 3.8138 7.5990 118.5299 59.4135 29.8256 178.2107 108 E 4.0577 8.2140 117.8323 58.2433 29.8866 176.9584 109 N 5.2441 7.4453 114.5815 52.1189 39.2765 176.6787 110 L 4.1714 7.7842 122.2543 57.6084 41.4682 179.0235 111 D 4.5784 8.2148 117.6330 55.2485 39.5552 177.2631 112 T 4.6684 7.6711 108.2157 61.0760 69.3029 173.2731 113 Y 3.9741 7.9178 124.1608 58.3312 39.2815 174.4662 114 N 4.7852 8.7320 128.4880 52.0078 40.0307 175.9778 115 K 3.9763 8.7209 130.7508 58.3474 31.9876 176.3260 116 S 4.2521 7.6540 113.4489 60.2621 62.5299 177.7769 117 F 4.7420 7.5205 116.1568 58.2651 39.7348 177.6712 118 R 3.7985 7.3392 121.7080 59.1801 29.6828 175.6519 119 Y 4.9989 7.2200 117.1461 56.3703 37.6188 174.3271 120 H 4.6893 8.6088 122.8081 54.9518 31.4636 176.0052 121 L 4.3380 7.5380 125.3097 52.8207 40.2364 177.2582 122 K 3.8779 8.3315 122.4925 58.9865 32.4843 177.5773 123 P 4.3197 0.0000 0.0000 64.8717 31.2851 177.1573 124 S 4.4053 8.0348 111.5371 59.2770 63.7976 174.4122 125 C 4.2400 8.0625 120.6374 59.9760 29.1367 172.9843 *128 K 4.6598 8.3896 119.9782 56.0282 33.5624 175.1910 129 K 4.3582 8.6334 124.2487 56.8801 32.8175 176.1551 130 T 4.5309 8.5081 120.8435 60.7508 69.0585 174.3407 131 S 4.5612 8.2718 118.7821 58.4274 64.1763 174.3003 132 E 4.0049 7.7997 122.9054 56.3860 29.7878 176.2201 133 Q 4.5778 8.3364 124.4496 54.6565 30.6556 175.5690 134 C 4.3806 8.4516 115.7162 60.3229 28.2216 174.0045 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 8.14 4.69 0.00 4.26 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 2 L 8.02 3.77 0.00 1.57 1.27 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 3 F 8.63 4.21 0.00 3.22 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 4 E 8.08 4.08 0.00 1.78 1.73 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 1.61 2.42 0.00 5 L 8.03 4.19 0.00 1.92 1.91 1.20 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 6 G 8.29 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 0.00 0.00 0.00 7 K 7.96 4.08 0.00 2.06 2.16 0.00 1.72 0.00 0.00 1.85 0.00 0.00 3.37 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.78 1.56 7.81 8 M 8.16 3.92 0.00 1.96 2.13 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.15 0.00 9 I 7.67 3.44 1.96 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.61 0.75 0.00 0.00 10 W 8.16 4.33 0.00 3.42 3.35 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 11 Q 8.09 3.16 0.00 1.40 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.73 0.00 0.00 0.00 0.00 0.00 1.68 2.48 0.00 12 E 7.84 4.11 0.00 1.73 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 2.18 2.37 0.00 13 T 7.98 4.35 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 1.09 0.00 0.00 14 G 7.75 3.47 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 0.00 15 K 7.40 4.62 0.00 1.74 1.69 0.00 1.45 0.00 0.00 1.37 0.00 0.00 2.49 0.00 0.00 2.39 0.00 0.00 0.00 0.00 1.34 1.25 7.81 16 N 8.72 4.44 0.00 2.79 2.76 0.00 0.00 6.84 7.71 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 17 P 0.00 4.52 0.00 2.31 2.27 0.00 3.90 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.21 0.00 18 V 8.10 3.79 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 1.01 0.00 0.00 0.96 0.00 0.00 19 K 8.61 4.12 0.00 1.84 1.97 0.00 1.92 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.50 1.60 7.81 20 N 8.02 4.57 0.00 2.60 1.84 0.00 0.00 6.53 7.60 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 *22 Y 7.23 5.30 0.00 3.21 3.13 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 23 G 8.40 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 24 L 7.89 4.64 0.00 2.12 1.73 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 7.87 4.60 0.00 3.21 2.96 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 26 G 7.58 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.87 4.58 0.00 3.03 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 28 N 8.53 5.02 0.00 3.08 2.87 0.00 0.00 6.97 7.28 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 29 C 8.18 4.66 0.00 3.39 3.47 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 30 G 8.54 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 31 V 8.42 3.57 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 0.76 0.00 0.00 1.03 0.00 0.00 32 G 8.81 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 33 G 7.98 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 34 R 8.05 4.74 0.00 1.72 1.94 0.00 2.21 0.00 0.00 2.63 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.39 0.00 35 G 8.65 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 36 E 9.05 4.13 0.00 2.09 1.84 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 2.23 2.18 0.00 37 P 0.00 4.51 0.00 2.04 2.00 0.00 3.55 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.60 0.00 38 L 9.44 4.03 0.00 1.05 1.08 -0.33 0.78 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 39 D 7.53 4.59 0.00 2.99 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 40 A 8.89 4.00 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 8.00 3.83 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 0.92 0.00 0.00 42 D 8.97 4.51 0.00 3.11 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 43 R 8.31 4.00 0.00 2.14 1.99 0.00 3.12 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.84 0.00 44 C 8.12 4.18 0.00 3.35 3.28 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 0.00 45 C 8.17 3.88 0.00 3.18 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 46 F 8.14 3.92 0.00 3.16 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 47 V 8.18 3.60 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 1.02 0.00 0.00 1.09 0.00 0.00 48 H 8.07 3.75 0.00 2.33 2.51 0.00 5.64 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 K 7.36 3.62 0.00 1.46 1.63 0.00 1.73 0.00 0.00 1.60 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.26 1.33 7.81 50 C 7.54 4.08 0.00 3.02 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 51 C 7.72 4.05 0.00 3.00 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 52 Y 7.64 4.50 0.00 2.99 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 53 K 7.92 3.92 0.00 1.82 1.83 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.59 7.81 *57 K 7.74 4.33 0.00 1.88 1.98 0.00 1.17 0.00 0.00 2.36 0.00 0.00 3.14 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.55 1.43 7.81 58 L 7.79 4.17 0.00 1.69 1.60 0.65 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 59 T 8.41 4.52 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 60 D 7.94 5.05 0.00 2.60 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 61 C 7.48 4.73 0.00 3.26 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 *67 D 8.68 4.70 0.00 2.70 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.25 4.04 0.00 2.72 3.24 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 0.00 69 K 9.02 4.14 0.00 1.88 1.77 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.35 1.39 7.81 70 K 7.97 4.38 0.00 1.79 1.86 0.00 1.87 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.74 7.81 71 D 8.26 4.50 0.00 2.95 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 72 R 8.69 4.63 0.00 1.81 1.83 0.00 3.58 0.00 0.00 3.99 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.51 0.00 73 Y 7.72 4.99 0.00 3.00 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 74 S 8.84 5.09 0.00 3.98 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 75 Y 8.34 5.34 0.00 3.25 3.20 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 76 K 9.50 4.44 0.00 1.68 1.70 0.00 1.62 0.00 0.00 1.50 0.00 0.00 2.78 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.36 1.51 7.81 77 W 8.90 5.36 0.00 3.50 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 78 K 8.21 4.32 0.00 1.81 1.53 0.00 1.99 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.34 1.25 7.81 79 N 9.09 3.74 0.00 2.70 2.76 0.00 0.00 7.03 7.61 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 80 K 7.44 2.61 0.00 1.69 1.74 0.00 1.79 0.00 0.00 1.56 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.15 1.28 7.81 81 A 6.81 4.73 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 82 I 8.45 5.21 2.04 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 1.64 1.26 1.03 0.00 0.00 83 V 9.04 4.45 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 1.12 0.00 0.00 0.98 0.00 0.00 84 C 8.82 4.46 0.00 2.95 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 *86 G 8.28 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 87 K 8.83 4.40 0.00 1.79 1.82 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.49 7.81 88 N 7.85 5.13 0.00 2.89 2.76 0.00 0.00 6.96 7.57 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 89 Q 8.35 4.25 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.74 0.00 0.00 0.00 0.00 0.00 2.47 2.41 0.00 90 P 0.00 4.18 0.00 2.15 2.13 0.00 3.61 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 2.13 2.19 0.00 91 C 8.06 4.07 0.00 2.98 2.92 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 92 M 7.98 4.13 0.00 2.23 2.22 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.77 0.00 93 Q 8.36 3.84 0.00 2.25 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 94 E 8.29 3.92 0.00 2.22 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 2.32 2.39 0.00 95 M 7.97 4.02 0.00 2.18 2.08 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.71 0.00 96 C 7.65 3.22 0.00 1.99 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 97 E 8.28 3.96 0.00 2.12 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 2.46 2.47 0.00 98 C 8.00 4.13 0.00 3.37 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 99 D 8.33 4.53 0.00 2.95 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 0.00 100 K 8.39 3.84 0.00 1.87 1.96 0.00 1.77 0.00 0.00 1.84 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.51 7.81 101 A 8.02 4.04 1.41 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 0.00 102 F 8.22 4.28 0.00 3.03 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 0.00 103 A 8.11 3.53 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 0.00 104 I 7.62 3.66 2.00 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 1.44 0.80 0.92 0.00 0.00 105 C 7.97 4.08 0.00 3.20 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 0.00 106 L 7.69 3.96 0.00 1.42 1.24 -0.65 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 107 R 7.60 3.81 0.00 1.71 2.04 0.00 3.25 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.96 0.00 108 E 8.21 4.06 0.00 2.08 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 2.33 2.40 0.00 109 N 7.45 5.24 0.00 2.76 2.81 0.00 0.00 7.08 8.09 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 0.00 110 L 7.78 4.17 0.00 1.66 1.71 0.90 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 111 D 8.21 4.58 0.00 2.84 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 0.00 112 T 7.67 4.67 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 1.25 0.00 0.00 113 Y 7.92 3.97 0.00 3.01 2.92 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 0.00 114 N 8.73 4.79 0.00 2.57 2.19 0.00 0.00 6.92 6.23 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 0.00 115 K 8.72 3.98 0.00 1.72 1.81 0.00 1.84 0.00 0.00 1.85 0.00 0.00 2.87 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.45 1.01 7.81 116 S 7.65 4.25 0.00 3.62 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 0.00 117 F 7.52 4.74 0.00 2.23 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 0.00 0.00 0.00 118 R 7.34 3.80 0.00 1.72 1.35 0.00 2.59 0.00 0.00 2.70 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 1.48 0.00 119 Y 7.22 5.00 0.00 3.04 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 0.00 120 H 8.61 4.69 0.00 3.18 3.37 0.00 5.94 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 L 7.54 4.34 0.00 1.57 1.51 0.89 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 122 K 8.33 3.88 0.00 1.83 1.91 0.00 1.75 0.00 0.00 1.86 0.00 0.00 2.96 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.75 1.54 7.81 123 P 0.00 4.32 0.00 2.03 2.12 0.00 3.66 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 124 S 8.03 4.41 0.00 3.95 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 0.00 125 C 8.06 4.24 0.00 2.93 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 *128 K 8.39 4.66 0.00 1.82 1.76 0.00 2.06 0.00 0.00 1.70 0.00 0.00 2.71 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 0.86 7.81 129 K 8.63 4.36 0.00 1.78 1.71 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.46 7.81 130 T 8.51 4.53 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 1.45 0.00 0.00 131 S 8.27 4.56 0.00 4.01 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 0.00 132 E 7.80 4.00 0.00 1.90 1.77 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 2.41 2.29 0.00 133 Q 8.34 4.58 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.86 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 134 C 8.45 4.38 0.00 2.94 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 * Residues marked with a * may have inaccurate shift predictions.