NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 32 V 4.3860 8.2904 119.7603 63.3365 32.7459 175.4597 33 A 4.5533 7.8901 118.1040 51.1161 20.1047 175.0468 34 D 5.3473 8.2835 115.6462 55.1229 47.3800 173.9022 35 R 5.3640 7.8801 117.0038 54.4720 33.8709 174.1604 36 Y 4.8166 9.5065 121.7822 56.0931 40.3966 174.6416 37 A 4.9339 8.7810 126.8151 51.1786 20.1988 176.4310 38 V 4.4432 9.1144 122.9408 61.4635 34.5619 174.2693 39 Y 4.7894 9.0938 126.8659 56.7634 38.0247 175.5434 40 W 4.2612 9.1531 135.0000 55.6993 29.4760 174.6307 41 N 5.4526 7.9846 120.5601 51.0941 40.1642 175.9080 42 S 4.4375 9.7888 115.0040 60.1946 63.2314 175.1097 43 S 4.4261 8.8841 116.9937 59.2168 63.3184 174.1335 44 N 4.5960 8.2338 120.6978 52.2566 39.4185 173.3407 45 P 4.2548 0.0000 0.0000 66.3049 30.9502 178.5635 46 R 3.6200 7.7980 116.8612 58.6702 29.9384 178.4703 47 F 4.4116 7.8741 117.0117 59.8755 39.0666 177.4277 48 Q 4.0176 8.0824 118.4863 59.5578 28.9377 178.8184 49 R 4.1114 7.9927 117.1779 57.0348 29.9973 177.7789 50 G 4.0765 8.2111 106.2780 46.0895 0.0000 173.4637 51 D 4.9623 7.8877 116.2198 52.5671 40.3968 174.5276 52 Y 4.4427 8.3086 121.7731 59.4475 39.4274 174.5423 53 H 5.6467 9.0662 121.0921 54.3569 31.9758 172.5628 54 I 4.6439 8.6835 112.6316 59.5816 41.2529 173.2770 55 D 5.4210 8.4580 123.1476 52.9974 43.1383 175.8154 56 V 4.3690 8.5677 114.7963 60.1611 36.8920 173.2007 57 C 5.2022 8.9912 118.3446 54.7638 43.2832 174.2422 58 I 4.0336 8.2242 121.7658 63.5569 37.1037 176.4454 59 N 4.4218 10.0537 120.5890 53.3480 37.5660 174.3830 60 D 4.9549 8.2055 118.6834 54.4701 42.7367 174.6048 61 Y 4.9970 10.0201 117.7433 56.2563 42.1075 174.7214 62 L 5.2392 9.0981 125.0688 53.6069 44.7871 174.6560 63 D 5.0022 9.5788 127.4138 52.6854 42.9506 175.5028 64 V 4.5182 8.2140 125.1868 61.4873 33.4939 174.4655 65 F 4.9658 9.3484 127.4293 55.7965 40.5501 175.1348 66 C 5.0353 8.9217 122.0207 55.9662 38.0815 172.1011 67 P 4.5351 0.0000 0.0000 63.4432 32.0114 175.0004 68 H 5.1572 8.3391 122.8930 54.7300 32.9153 171.5288 69 Y 4.9133 8.5483 121.4805 56.1644 41.8449 174.6370 70 E 4.4561 8.7312 119.2051 55.6623 31.0328 177.9257 71 D 4.0570 8.9053 121.5808 57.6212 41.0605 179.3247 72 S 4.5161 7.5760 110.2790 58.4378 62.4683 173.6161 73 V 4.2597 7.8623 121.7879 61.1259 32.3145 174.2695 74 P 4.0429 0.0000 0.0000 63.0081 31.2804 177.2102 75 E 3.7202 8.3182 118.1178 57.4642 29.3457 176.5314 76 D 4.5281 7.7808 119.1327 57.1536 41.2023 178.2689 77 K 4.4053 7.3591 115.9041 56.1650 32.2986 175.7753 78 T 3.5940 8.6116 117.4950 61.5545 69.0243 174.4071 79 E 4.2182 9.0465 127.6076 55.9100 30.5315 176.6177 80 R 4.8699 7.7836 120.5302 54.8676 34.7737 173.6924 81 Y 5.3934 8.6982 118.9374 56.6117 43.3312 173.9371 82 V 4.5383 8.6445 120.6459 61.1128 34.4959 174.2055 83 L 4.9730 8.5434 127.1476 53.1442 44.2606 175.1319 84 Y 5.2350 9.4980 120.1091 56.3859 42.6342 173.8805 85 M 4.9193 8.9420 121.3055 54.1325 34.5774 175.2132 86 V 5.1408 8.5759 118.6012 59.5646 36.5353 174.4849 87 N 4.9118 8.5055 119.0798 51.7877 39.1109 175.6935 88 F 3.1244 8.6440 118.9697 61.3808 39.0705 176.5655 89 D 4.1869 8.0425 118.0887 57.1468 40.5989 178.8343 90 G 3.5136 9.3876 107.4571 47.5859 0.0000 175.3347 91 Y 4.0372 7.9729 121.9332 60.7196 38.6575 178.0018 92 S 3.8341 7.9498 114.7885 61.1301 62.9738 175.7379 93 A 4.3160 7.7199 119.9526 50.9307 18.9162 176.1005 94 C 4.0599 7.4843 113.8345 58.0732 38.5078 173.1287 95 D 4.6063 8.2820 119.9973 53.5696 40.7230 175.0598 96 H 4.6205 8.3726 121.5876 55.4097 28.7935 174.8165 97 T 4.2693 8.5280 118.7980 65.1728 70.1586 176.2309 98 S 4.1861 8.2918 116.4891 60.6056 63.2261 174.5351 99 K 4.1004 7.2673 116.8085 55.3209 34.8378 174.8390 100 G 3.6575 7.4424 112.4905 45.1338 0.0000 171.7242 101 F 4.9866 8.6285 119.3656 55.6029 43.9492 174.1258 102 K 4.2618 8.9076 124.0358 56.8277 32.1241 175.9692 103 R 3.8451 8.7386 126.4586 57.0447 31.5696 176.6150 104 W 4.6758 7.1301 116.1634 54.7345 33.9725 173.5869 105 E 4.6183 8.1026 122.5984 54.8258 31.1428 176.8962 106 C 4.9353 9.4682 127.4893 55.2606 39.3131 173.6141 107 N 5.2019 8.4260 116.1855 52.2550 38.2391 176.4739 108 R 4.6896 7.6571 117.8238 53.8693 30.5368 174.0855 109 P 4.8466 0.0000 0.0000 64.5346 31.8866 178.1911 110 H 5.1167 7.9687 115.8663 54.8490 29.5002 173.8479 111 S 4.1605 8.1058 114.1051 58.3029 63.0633 172.2096 112 P 4.3802 0.0000 0.0000 65.7854 31.1767 176.7598 113 N 4.7273 8.0365 115.0648 50.7276 37.6818 174.4736 114 G 3.9595 7.9071 104.8982 43.9015 0.0000 169.5912 115 P 4.1517 0.0000 0.0000 62.5143 31.6626 175.9077 116 L 3.9575 8.2798 121.9111 55.1458 43.2430 175.4195 117 K 4.4611 7.8043 125.7706 54.3637 35.2327 174.9548 118 F 4.5791 8.2053 124.8287 55.5107 42.1816 174.2513 119 S 5.0450 8.4935 117.9127 56.5651 65.8442 172.9204 120 E 4.6810 9.1686 124.8109 54.1909 32.1257 174.1949 121 K 4.1555 8.3654 128.0378 54.3158 33.2887 176.8986 122 F 3.8622 7.8721 128.9321 56.0935 37.1714 174.4159 123 Q 4.4324 7.8816 119.7896 54.1715 31.6314 177.9802 124 L 4.4386 8.6138 119.6839 56.4067 42.1192 177.5138 125 F 5.0875 7.9372 118.0188 56.4395 42.4041 173.7755 126 T 4.2698 7.8590 122.6709 61.1107 71.7120 172.5504 127 P 3.9746 0.0000 0.0000 63.3128 32.1519 175.8989 128 F 4.9811 6.9424 117.5513 55.9381 40.4573 175.9263 129 S 4.3235 8.5460 116.8767 60.5215 63.4749 175.4355 130 L 4.4746 8.0341 119.8191 54.5365 41.2416 175.9323 131 G 4.2497 7.5312 106.4213 43.5598 0.0000 172.3120 132 F 4.4912 8.4557 120.5952 55.8964 41.6498 174.0756 133 E 4.7348 6.9469 125.1084 54.5075 31.6081 175.2659 134 F 4.8775 9.4823 121.9258 55.7308 42.6333 174.4747 135 R 4.9336 9.4311 120.4737 53.5655 32.3006 174.6138 136 P 4.2222 0.0000 0.0000 63.9730 31.9812 176.2522 137 G 3.9169 9.0463 108.7479 46.2077 0.0000 173.4067 138 R 4.9320 7.5335 117.2029 53.8522 34.2051 174.1209 139 E 5.1398 8.5417 118.8720 54.8914 32.1190 174.5880 140 Y 4.3945 8.7238 118.6132 56.0970 42.4828 174.4724 141 F 5.4612 8.3443 118.4186 56.0808 43.4630 173.5786 142 Y 5.7463 9.7933 119.9311 56.4984 41.9381 174.5945 143 I 5.7706 9.3920 115.8028 59.7718 41.8486 173.7058 144 S 5.5554 9.0511 116.5745 56.6645 66.4795 173.3415 145 S 5.0148 8.9458 114.7444 56.1053 65.8034 173.3197 146 A 4.3736 8.8682 124.7847 52.6841 18.7551 178.3798 147 I 3.8645 8.8696 124.0095 64.0098 37.4033 176.1021 148 P 4.2354 0.0000 0.0000 64.3622 31.3895 176.2844 *150 D 4.5993 7.5465 116.5853 53.8598 41.2869 172.9314 151 N 4.9602 7.9637 119.7099 51.9788 41.7305 174.6120 152 G 3.8404 8.8581 107.7973 47.2639 0.0000 175.2242 153 R 3.6265 7.2926 118.4770 56.3943 26.8275 173.9929 154 R 4.4427 7.8846 122.3238 56.3730 35.1472 176.1133 155 S 4.6321 7.9790 113.3551 56.8665 64.5476 171.7019 156 C 4.9890 8.0415 113.8926 54.0962 38.7046 173.5132 157 L 4.6125 8.4164 120.8949 54.7825 42.6384 175.9353 158 K 5.4409 8.5093 119.7220 56.4466 35.9682 174.5811 159 L 5.0361 10.0760 122.0313 53.9202 46.1712 173.7751 160 K 5.0117 9.0792 127.1615 54.6724 34.9736 174.8162 161 V 4.7686 8.7047 126.8567 61.1573 34.5179 173.5980 162 F 5.1617 9.1427 131.4411 56.6337 41.3965 174.5615 163 V 4.1459 8.0476 127.2036 61.2209 32.0496 175.4137 164 R 4.0063 8.2711 128.3315 55.5366 30.9695 175.3709 165 P 4.4479 0.0000 0.0000 62.7275 32.8657 175.8814 166 T 4.0795 8.2752 118.3606 65.3887 69.1641 172.2110 167 N 4.9171 9.2156 124.9437 53.7537 35.0940 176.6918 168 S 4.5311 7.6338 109.3035 59.1382 62.2119 173.6766 169 C 4.9516 8.1176 117.6158 56.5650 41.0109 174.1188 170 M 3.5230 8.2874 124.9105 56.0493 31.7147 176.8220 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 32 V 8.29 4.39 1.96 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 0.45 0.00 0.00 0.87 0.00 0.00 33 A 7.89 4.55 1.25 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 0.00 0.00 34 D 8.28 5.35 0.00 2.58 2.75 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 35 R 7.88 5.36 0.00 1.67 1.79 0.00 2.90 0.00 0.00 3.54 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.54 0.00 36 Y 9.51 4.82 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 37 A 8.78 4.93 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 38 V 9.11 4.44 2.20 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 1.27 0.00 0.00 0.90 0.00 0.00 39 Y 9.09 4.79 0.00 3.05 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 40 W 9.15 4.26 0.00 3.52 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 41 N 7.98 5.45 0.00 3.15 3.05 0.00 0.00 5.88 7.14 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 42 S 9.79 4.44 0.00 4.08 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 0.00 43 S 8.88 4.43 0.00 4.03 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 44 N 8.23 4.60 0.00 3.00 3.07 0.00 0.00 6.83 7.07 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 45 P 0.00 4.25 0.00 2.24 2.28 0.00 3.73 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 1.99 2.02 0.00 46 R 7.80 3.62 0.00 1.12 0.66 0.00 2.54 0.00 0.00 2.89 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.36 0.00 47 F 7.87 4.41 0.00 3.18 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 48 Q 8.08 4.02 0.00 2.26 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.98 0.00 0.00 0.00 0.00 0.00 2.41 2.49 0.00 49 R 7.99 4.11 0.00 1.81 1.99 0.00 3.27 0.00 0.00 3.15 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.86 0.00 50 G 8.21 4.08 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 0.00 0.00 0.00 51 D 7.89 4.96 0.00 2.83 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 52 Y 8.31 4.44 0.00 2.87 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 53 H 9.07 5.65 0.00 3.22 3.31 0.00 5.54 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 I 8.68 4.64 1.58 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.88 0.88 0.00 0.00 55 D 8.46 5.42 0.00 2.56 2.66 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 56 V 8.57 4.37 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 -0.18 0.00 0.00 -0.02 0.00 0.00 57 C 8.99 5.20 0.00 2.90 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 58 I 8.22 4.03 1.87 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 1.40 0.75 1.00 0.00 0.00 59 N 10.05 4.42 0.00 2.91 3.04 0.00 0.00 7.02 7.94 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 60 D 8.21 4.95 0.00 2.99 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 61 Y 10.02 5.00 0.00 2.78 2.78 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 62 L 9.10 5.24 0.00 2.07 1.59 1.03 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 63 D 9.58 5.00 0.00 2.58 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 0.00 0.00 0.00 64 V 8.21 4.52 1.61 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 1.06 0.00 0.00 0.56 0.00 0.00 65 F 9.35 4.97 0.00 2.65 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 66 C 8.92 5.04 0.00 3.00 3.17 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 67 P 0.00 4.54 0.00 2.48 2.16 0.00 3.78 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.66 0.00 68 H 8.34 5.16 0.00 3.05 3.08 0.00 5.87 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 Y 8.55 4.91 0.00 2.74 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 70 E 8.73 4.46 0.00 1.98 1.89 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 2.41 2.40 0.00 71 D 8.91 4.06 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 72 S 7.58 4.52 0.00 3.84 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 73 V 7.86 4.26 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 0.67 0.00 0.00 1.08 0.00 0.00 74 P 0.00 4.04 0.00 2.16 2.05 0.00 3.75 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 2.11 2.13 0.00 75 E 8.32 3.72 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 2.21 2.23 0.00 76 D 7.78 4.53 0.00 2.62 2.75 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 77 K 7.36 4.41 0.00 1.60 1.75 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.34 7.81 78 T 8.61 3.59 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 1.11 0.00 0.00 79 E 9.05 4.22 0.00 2.20 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 2.38 2.43 0.00 80 R 7.78 4.87 0.00 1.61 1.84 0.00 3.09 0.00 0.00 3.34 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 81 Y 8.70 5.39 0.00 2.73 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 82 V 8.64 4.54 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 0.24 0.00 0.00 0.90 0.00 0.00 83 L 8.54 4.97 0.00 1.51 1.31 -0.10 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 84 Y 9.50 5.23 0.00 2.89 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 85 M 8.94 4.92 0.00 1.94 1.60 0.00 0.00 0.00 0.00 0.00 -1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.24 0.00 86 V 8.58 5.14 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 0.91 0.00 0.00 1.13 0.00 0.00 87 N 8.51 4.91 0.00 3.01 3.03 0.00 0.00 5.57 8.12 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 88 F 8.64 3.12 0.00 2.66 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 89 D 8.04 4.19 0.00 2.81 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 90 G 9.39 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 0.00 0.00 0.00 91 Y 7.97 4.04 0.00 3.09 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 92 S 7.95 3.83 0.00 3.55 3.62 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 93 A 7.72 4.32 1.25 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 0.00 0.00 94 C 7.48 4.06 0.00 3.05 3.17 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 95 D 8.28 4.61 0.00 2.52 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 96 H 8.37 4.62 0.00 1.68 2.85 0.00 5.54 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 T 8.53 4.27 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 1.12 0.00 0.00 98 S 8.29 4.19 0.00 3.84 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 K 7.27 4.10 0.00 1.59 1.56 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.06 1.16 7.81 100 G 7.44 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 0.00 101 F 8.63 4.99 0.00 2.73 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 0.00 102 K 8.91 4.26 0.00 1.84 1.72 0.00 1.66 0.00 0.00 1.49 0.00 0.00 2.47 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.04 1.27 7.81 103 R 8.74 3.85 0.00 0.67 0.66 0.00 2.82 0.00 0.00 2.50 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.95 0.00 104 W 7.13 4.68 0.00 2.55 1.74 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 0.00 105 E 8.10 4.62 0.00 1.86 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.21 0.00 106 C 9.47 4.94 0.00 3.28 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 0.00 107 N 8.43 5.20 0.00 2.80 2.88 0.00 0.00 6.11 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 0.00 108 R 7.66 4.69 0.00 1.85 1.90 0.00 3.33 0.00 0.00 3.43 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.54 0.00 109 P 0.00 4.85 0.00 2.23 2.46 0.00 3.93 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 2.09 1.97 0.00 110 H 7.97 5.12 0.00 3.18 3.33 0.00 5.73 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 S 8.11 4.16 0.00 3.98 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 0.00 112 P 0.00 4.38 0.00 2.20 2.28 0.00 3.75 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 2.00 2.03 0.00 113 N 8.04 4.73 0.00 2.68 2.78 0.00 0.00 7.03 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 0.00 114 G 7.91 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 0.00 0.00 0.00 115 P 0.00 4.15 0.00 2.34 2.28 0.00 3.78 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 2.29 2.15 0.00 116 L 8.28 3.96 0.00 1.70 1.35 1.04 0.17 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 0.00 117 K 7.80 4.46 0.00 1.24 1.14 0.00 0.83 0.00 0.00 1.17 0.00 0.00 2.59 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.62 0.21 7.81 118 F 8.21 4.58 0.00 1.86 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 0.00 119 S 8.49 5.04 0.00 3.66 3.73 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 0.00 0.00 0.00 120 E 9.17 4.68 0.00 2.15 1.51 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 1.78 1.47 0.00 121 K 8.37 4.16 0.00 1.50 1.50 0.00 1.67 0.00 0.00 1.80 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.93 0.29 7.81 122 F 7.87 3.86 0.00 2.83 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 0.00 123 Q 7.88 4.43 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 6.92 0.00 0.00 0.00 0.00 0.00 2.52 2.51 0.00 124 L 8.61 4.44 0.00 1.74 1.83 0.95 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 125 F 7.94 5.09 0.00 2.88 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 0.00 126 T 7.86 4.27 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 1.22 0.00 0.00 127 P 0.00 3.97 0.00 1.68 2.11 0.00 3.23 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.47 0.00 128 F 6.94 4.98 0.00 3.03 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 0.00 129 S 8.55 4.32 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 0.00 130 L 8.03 4.47 0.00 1.65 1.71 0.88 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 131 G 7.53 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 0.00 0.00 0.00 0.00 132 F 8.46 4.49 0.00 2.59 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 0.00 133 E 6.95 4.73 0.00 1.44 1.83 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 2.01 1.95 0.00 134 F 9.48 4.88 0.00 2.95 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 0.00 135 R 9.43 4.93 0.00 1.80 1.91 0.00 3.24 0.00 0.00 3.34 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 136 P 0.00 4.22 0.00 2.15 2.04 0.00 3.89 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 2.00 1.98 0.00 137 G 9.05 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 0.00 138 R 7.53 4.93 0.00 2.13 1.41 0.00 3.22 0.00 0.00 3.66 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 139 E 8.54 5.14 0.00 1.53 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 2.15 2.27 0.00 140 Y 8.72 4.39 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 0.00 141 F 8.34 5.46 0.00 3.29 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 0.00 142 Y 9.79 5.75 0.00 3.45 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 0.00 143 I 9.39 5.77 2.07 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 1.51 1.15 1.11 0.00 0.00 144 S 9.05 5.56 0.00 3.94 3.64 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 0.00 145 S 8.95 5.01 0.00 3.89 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 0.00 146 A 8.87 4.37 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 0.00 147 I 8.87 3.86 1.83 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 1.23 0.54 0.90 0.00 0.00 148 P 0.00 4.24 0.00 2.00 2.07 0.00 3.60 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.01 0.00 *150 D 7.55 4.60 0.00 2.68 2.75 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 0.00 151 N 7.96 4.96 0.00 2.76 2.67 0.00 0.00 7.03 7.58 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 0.00 152 G 8.86 3.84 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 0.00 0.00 0.00 153 R 7.29 3.63 0.00 2.02 1.98 0.00 3.32 0.00 0.00 3.31 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 154 R 7.88 4.44 0.00 1.90 1.96 0.00 3.09 0.00 0.00 3.29 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.54 0.00 155 S 7.98 4.63 0.00 4.03 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 0.00 156 C 8.04 4.99 0.00 3.38 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 0.00 157 L 8.42 4.61 0.00 1.47 0.60 0.23 0.42 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 0.00 158 K 8.51 5.44 0.00 1.95 1.79 0.00 1.25 0.00 0.00 0.61 0.00 0.00 2.59 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.35 1.58 7.81 159 L 10.08 5.04 0.00 1.89 2.07 0.17 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 160 K 9.08 5.01 0.00 2.02 1.74 0.00 1.69 0.00 0.00 1.81 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.26 1.36 7.81 161 V 8.70 4.77 2.27 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 0.37 0.00 0.00 1.08 0.00 0.00 162 F 9.14 5.16 0.00 3.02 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 0.00 163 V 8.05 4.15 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 0.76 0.00 0.00 0.79 0.00 0.00 164 R 8.27 4.01 0.00 1.60 1.83 0.00 3.43 0.00 0.00 3.34 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.55 0.00 165 P 0.00 4.45 0.00 2.13 2.22 0.00 3.76 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 166 T 8.28 4.08 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 0.00 167 N 9.22 4.92 0.00 2.92 3.53 0.00 0.00 6.28 7.64 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 0.00 168 S 7.63 4.53 0.00 4.12 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 0.00 169 C 8.12 4.95 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 0.00 170 M 8.29 3.52 0.00 2.16 2.04 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 2.53 2.48 0.00 * Residues marked with a * may have inaccurate shift predictions.