NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 F 4.8107 8.1676 115.8786 57.1402 40.2611 177.0603 11 H 3.9847 5.2900 117.8898 54.0008 29.1060 170.3829 12 E 4.3501 9.4494 122.9768 57.5412 29.9774 176.7778 13 M 4.6065 7.1095 114.9018 54.9837 32.2118 176.6382 14 R 4.5560 7.6153 117.1503 55.5871 32.7317 175.5099 15 E 4.0121 8.1487 117.1575 55.2869 30.0635 174.7669 16 P 3.9095 0.0000 0.0000 61.0537 32.4401 174.6551 17 R 4.0428 6.8217 112.7812 55.9421 32.8121 173.4883 18 I 4.3526 8.5142 121.5974 60.4312 38.4185 174.9413 19 E 4.4768 8.8493 128.8892 54.4466 31.5032 171.7770 20 K 4.5590 8.7421 132.6681 55.4137 34.1578 174.6469 21 V 4.5093 7.8302 119.8368 61.2327 34.7693 173.8951 22 V 4.4751 8.1931 128.5333 61.7812 33.3279 174.8713 23 V 4.7480 8.3719 121.6025 59.9080 33.8816 174.2701 24 H 5.1823 8.9111 125.0431 54.5425 33.7063 172.1429 25 M 4.4733 8.2638 123.6249 53.3676 33.6644 175.6317 26 G 4.0737 8.1175 113.4055 45.8041 0.0000 171.8702 27 I 4.1589 7.5582 125.6845 60.4114 39.6669 175.9973 28 G 4.0609 8.0222 110.4834 45.1557 0.0000 172.9842 29 H 4.9349 7.9696 120.2248 55.6167 29.5824 173.5307 *35 A 4.1619 7.0068 123.6252 51.9101 19.1398 176.7506 36 N 4.1266 8.7708 113.7426 56.2852 36.3742 176.5337 37 A 4.1532 7.9492 122.4651 54.4976 18.4360 178.8810 38 E 3.8958 8.7322 118.3074 60.0218 29.6706 178.9224 39 D 4.4266 7.4987 119.0671 57.7977 40.9635 179.5008 40 I 3.7470 7.7549 112.5700 64.2153 37.3804 178.0078 41 L 4.2514 7.7326 120.3694 57.3609 41.4052 179.7035 42 G 3.5933 8.2305 106.0110 47.6114 0.0000 175.7699 43 E 4.0040 7.8520 119.5245 59.1920 29.8288 178.9361 44 I 3.9145 8.2191 117.3177 63.1111 37.9667 176.0661 45 T 4.6264 7.6933 107.3874 64.6141 70.3691 174.3190 46 G 3.8359 7.1298 108.3095 44.2922 0.0000 173.2246 47 Q 4.5792 7.7018 116.1962 54.3157 31.6169 174.2781 48 M 3.9101 8.5373 118.5111 55.9837 32.3842 174.8105 49 P 4.8497 0.0000 0.0000 61.6532 33.7006 175.0360 50 V 4.4851 8.2861 119.5126 60.9083 34.5857 175.2653 51 R 4.3749 8.7644 125.6583 57.2023 31.3046 176.8006 52 T 4.5149 8.7549 118.2808 61.2985 69.8358 173.9450 53 K 5.3900 8.7396 124.3861 55.8150 33.2673 175.4845 54 A 4.8936 8.5014 122.3569 50.2162 22.1392 175.6006 55 K 4.5806 8.3875 117.3569 55.6545 35.2546 175.1778 56 R 4.1824 8.6600 122.9621 56.4235 29.6412 175.9428 57 T 4.6652 8.2461 117.1832 62.4076 69.7185 174.4902 58 V 4.5735 8.9715 125.8650 60.6114 35.0484 175.4394 59 G 3.7594 8.7370 111.9890 48.4503 0.0000 174.9828 60 E 4.2428 8.1978 119.6624 58.5825 28.1011 176.5889 61 F 4.4481 7.6952 112.7155 60.1349 38.7440 175.0327 62 D 4.8808 7.8300 119.8505 51.7183 40.0893 175.5617 63 I 3.8003 7.7151 115.2101 60.9431 39.5823 177.4193 64 R 3.8441 7.9137 121.4716 56.3121 29.5168 174.5620 65 E 4.0031 8.1928 129.0343 58.4948 29.2495 176.3151 66 G 3.8930 8.0483 110.4071 46.5228 0.0000 172.0486 67 D 4.5556 8.2667 121.4406 51.6282 42.2730 173.6679 68 P 4.6407 0.0000 0.0000 62.5877 31.9324 176.7785 69 I 4.6374 8.5760 126.6155 58.8767 38.8088 174.9929 70 G 4.2712 7.5267 107.7538 43.5138 0.0000 172.1080 71 A 5.8718 8.0195 121.2021 49.9385 23.4635 174.9014 72 K 5.0616 8.2643 116.5697 56.0601 36.8404 175.4932 73 V 4.5980 8.3790 120.3270 61.8070 34.8067 173.6352 74 T 4.6024 8.5569 119.3655 60.5734 69.6388 173.8749 75 L 4.6854 8.3405 127.3509 53.0951 43.7809 176.1919 76 R 4.6644 8.0353 120.9697 54.9315 33.8987 176.8456 77 D 4.2430 8.8641 119.7880 55.3848 39.0952 176.3971 78 E 3.9790 8.8899 121.4286 61.0365 27.9684 178.5937 79 M 4.0351 8.2129 117.8364 58.3815 31.8330 178.5332 80 A 4.2915 8.1334 120.8176 55.1414 18.7743 179.2510 81 E 3.9707 8.1713 116.6744 59.4977 29.5251 179.0575 82 E 4.0319 8.2496 118.6951 59.0597 29.9398 179.1104 83 F 4.4061 7.5731 120.4411 60.7748 39.9254 177.6536 84 L 4.2305 8.3698 118.5326 57.3957 41.0310 178.9106 85 Q 4.1947 8.3041 116.2220 56.2446 28.4390 176.0408 86 T 4.5425 7.6437 109.6062 61.7592 74.6656 175.2609 87 A 3.9508 7.5081 124.7366 53.9771 18.1631 179.1689 88 L 3.5000 7.8415 115.4522 57.6192 41.7580 178.0245 89 P 3.8395 0.0000 0.0000 65.7091 31.2846 177.6239 90 L 4.3631 8.1986 114.7491 54.1737 41.9005 176.2147 91 A 4.9168 8.0969 122.8221 50.4537 21.7666 174.9834 92 E 4.4397 8.1697 115.5207 58.4093 31.8934 176.5981 93 L 3.6990 6.8214 116.4428 52.3435 43.6130 175.7550 94 A 4.4846 8.6189 122.7256 52.6235 21.1917 174.0173 95 T 3.1607 8.6073 112.4205 62.6299 69.8569 173.5779 96 S 3.9377 8.7624 121.6492 60.2859 63.0398 173.2169 97 Q 4.3888 8.1587 117.6611 55.9113 28.4941 174.8164 98 F 4.8510 7.7903 114.1739 55.1773 41.2116 175.0008 99 D 4.6932 9.8714 123.4333 54.4444 41.7181 175.7811 100 D 4.7466 8.5318 119.1576 55.0575 41.3319 177.5448 101 T 4.5780 7.3916 114.4268 62.2968 68.8696 174.7106 102 G 3.9706 8.3556 108.7841 46.3171 0.0000 173.1985 103 N 5.2012 7.7820 116.7418 51.4198 41.4749 173.2813 104 F 4.2306 7.5685 109.8998 56.2236 41.2021 173.0445 105 S 5.0557 8.7626 115.6514 56.4807 65.0853 172.6596 106 F 4.9495 8.8132 120.9806 55.3554 41.5778 173.0049 107 G 4.1508 8.7788 102.0293 44.3325 0.0000 172.3957 *128 L 4.0384 8.4481 121.2282 55.1309 43.6917 176.6438 129 D 5.0089 8.7224 125.5534 52.6207 44.2142 175.8407 130 V 4.2412 8.0397 120.9566 61.7714 34.6412 174.1760 131 T 4.7346 8.8675 125.2192 61.6564 71.2966 173.8665 132 V 4.4610 7.8759 123.6122 61.1081 34.5255 173.5814 133 N 5.1300 8.6576 126.8273 52.1213 40.4383 173.4646 134 L 5.3181 8.2535 125.7103 53.2095 44.6672 175.8029 135 V 4.3010 7.9521 120.9111 61.2033 35.5270 171.8119 136 R 4.5888 8.4118 116.7558 54.7945 31.1781 177.2965 137 P 4.0085 0.0000 0.0000 64.7955 32.3484 176.7153 138 G 4.2307 7.9723 107.0664 45.6221 0.0000 175.2490 139 Y 4.2810 8.1276 122.7067 60.0732 38.9100 175.8663 140 R 4.0791 8.2765 119.4513 59.4746 29.8830 178.1570 141 V 3.4852 7.4941 116.3701 65.2630 31.1731 176.8006 142 A 5.0007 7.8088 119.3840 51.1966 19.5003 177.1967 143 K 4.2696 7.6511 115.3893 55.8134 33.8605 176.6133 144 R 4.2614 7.6138 115.1411 55.7375 30.7992 175.8013 145 D 4.5473 8.3873 116.4975 56.5589 41.7253 177.6701 146 K 4.0275 7.8359 118.3859 57.3651 32.7361 176.6892 147 A 4.0469 8.8140 123.1121 52.5420 16.3401 177.0011 148 S 4.5058 7.2360 112.3562 60.9501 63.7004 173.5293 149 R 4.5992 8.8268 119.2866 55.3227 33.7662 173.6277 150 S 4.6786 8.4886 118.7257 57.2668 63.5132 173.9524 151 I 3.8582 8.2642 127.4492 60.7122 37.6684 174.3342 152 P 4.4508 0.0000 0.0000 62.2678 32.1545 177.2900 153 T 3.9273 8.8419 113.3391 65.5177 67.9678 176.5199 154 K 4.0512 8.0157 119.5670 59.0241 32.2482 177.6332 155 H 4.6723 8.2416 116.0188 55.5382 30.0934 175.1252 156 R 4.2937 7.3134 118.9766 56.1928 30.6296 175.1130 157 L 4.5578 8.1653 120.4851 53.8044 43.3936 175.6352 158 N 4.7725 7.9656 123.6977 51.5473 41.3340 174.6613 159 P 4.3531 0.0000 0.0000 66.0692 31.3793 178.5534 160 A 3.8752 7.9534 119.1948 55.0071 18.6180 178.9506 161 D 4.4315 8.1745 116.0218 56.6666 40.9995 179.0364 162 A 4.2977 7.6740 121.4795 54.7287 19.1337 179.2149 163 V 3.1715 7.4125 116.4387 66.4548 31.3332 177.5411 164 A 3.8833 7.8832 119.8408 55.3307 17.9131 178.9138 165 F 4.1206 7.7637 116.6644 61.7497 39.6994 177.6387 166 I 3.4812 7.8845 118.7565 64.3231 36.8069 177.7674 167 E 4.3430 8.1876 120.5380 58.7084 29.4981 178.3987 168 S 4.5191 8.0122 111.8594 57.7278 64.6537 175.1420 169 T 4.7388 7.9587 113.0775 62.9817 71.1960 173.1870 170 Y 3.3272 7.7605 120.0819 57.3513 34.9454 168.4814 171 D 4.4123 6.5952 116.9626 53.9087 43.5841 175.7391 172 V 4.7263 7.7969 117.0537 61.0730 35.6932 178.6695 173 E 4.3590 8.7067 122.3004 56.5583 28.7503 177.3331 174 V 4.0776 7.6446 116.6243 63.8995 31.8254 175.0699 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 10 F 8.17 4.81 0.00 3.35 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 11 H 5.29 3.98 0.00 3.05 2.22 0.00 5.61 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 E 9.45 4.35 0.00 1.69 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 0.00 2.07 2.18 0.00 13 M 7.11 4.61 0.00 2.18 2.02 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.55 0.00 14 R 7.62 4.56 0.00 1.75 1.94 0.00 3.41 0.00 0.00 3.39 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 15 E 8.15 4.01 0.00 2.16 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 0.00 2.33 2.29 0.00 16 P 0.00 3.91 0.00 1.08 1.60 0.00 3.69 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 2.14 2.01 0.00 17 R 6.82 4.04 0.00 1.58 1.80 0.00 2.72 0.00 0.00 3.11 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.34 0.00 18 I 8.51 4.35 1.98 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.92 0.97 0.00 0.00 19 E 8.85 4.48 0.00 1.79 1.68 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 2.17 2.19 0.00 20 K 8.74 4.56 0.00 2.09 1.96 0.00 1.63 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.34 1.31 7.81 21 V 7.83 4.51 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 1.00 0.00 0.00 0.96 0.00 0.00 22 V 8.19 4.48 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 0.70 0.00 0.00 0.85 0.00 0.00 23 V 8.37 4.75 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 0.15 0.00 0.00 0.70 0.00 0.00 24 H 8.91 5.18 0.00 3.22 2.97 0.00 5.54 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 M 8.26 4.47 0.00 1.89 1.87 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.39 0.00 26 G 8.12 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 27 I 7.56 4.16 1.77 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.69 0.74 0.00 0.00 28 G 8.02 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 0.00 0.00 0.00 29 H 7.97 4.93 0.00 3.19 3.36 0.00 5.76 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *35 A 7.01 4.16 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 36 N 8.77 4.13 0.00 2.92 3.13 0.00 0.00 5.87 7.46 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 37 A 7.95 4.15 1.31 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 38 E 8.73 3.90 0.00 1.97 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 2.47 0.00 39 D 7.50 4.43 0.00 2.83 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 40 I 7.75 3.75 1.88 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 1.85 0.82 0.91 0.00 0.00 41 L 7.73 4.25 0.00 1.89 1.72 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 42 G 8.23 3.59 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 0.00 0.00 0.00 43 E 7.85 4.00 0.00 2.00 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 0.00 2.35 2.51 0.00 44 I 8.22 3.91 2.02 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.84 1.07 0.00 0.00 45 T 7.69 4.63 4.14 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 1.01 0.00 0.00 46 G 7.13 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 47 Q 7.70 4.58 0.00 2.12 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.72 6.68 0.00 0.00 0.00 0.00 0.00 2.21 2.29 0.00 48 M 8.54 3.91 0.00 2.01 2.06 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 2.60 2.58 0.00 49 P 0.00 4.85 0.00 1.90 1.96 0.00 3.60 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.04 0.00 50 V 8.29 4.49 2.05 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 1.02 0.00 0.00 0.91 0.00 0.00 51 R 8.76 4.37 0.00 1.72 1.84 0.00 3.35 0.00 0.00 3.21 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 52 T 8.75 4.51 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 1.21 0.00 0.00 53 K 8.74 5.39 0.00 1.63 1.74 0.00 1.72 0.00 0.00 2.36 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.28 7.81 54 A 8.50 4.89 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 55 K 8.39 4.58 0.00 1.61 1.69 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.42 7.81 56 R 8.66 4.18 0.00 1.99 2.01 0.00 3.20 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.64 0.00 57 T 8.25 4.67 4.26 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 1.24 0.00 0.00 58 V 8.97 4.57 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 0.80 0.00 0.00 0.95 0.00 0.00 59 G 8.74 3.76 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 0.00 0.00 0.00 60 E 8.20 4.24 0.00 2.21 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 0.00 2.39 2.34 0.00 61 F 7.70 4.45 0.00 3.03 3.07 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 62 D 7.83 4.88 0.00 2.93 2.55 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 63 I 7.72 3.80 1.93 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.85 1.07 0.00 0.00 64 R 7.91 3.84 0.00 1.76 2.11 0.00 3.20 0.00 0.00 3.10 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 65 E 8.19 4.00 0.00 2.02 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 2.29 2.32 0.00 66 G 8.05 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 67 D 8.27 4.56 0.00 2.64 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 68 P 0.00 4.64 0.00 1.94 2.03 0.00 3.63 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 2.01 2.10 0.00 69 I 8.58 4.64 1.97 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.71 0.94 0.00 0.00 70 G 7.53 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 71 A 8.02 5.87 1.14 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 0.00 0.00 72 K 8.26 5.06 0.00 1.75 1.87 0.00 1.43 0.00 0.00 1.70 0.00 0.00 2.76 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.39 7.81 73 V 8.38 4.60 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 0.85 0.00 0.00 0.86 0.00 0.00 74 T 8.56 4.60 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 1.16 0.00 0.00 75 L 8.34 4.69 0.00 1.59 1.54 0.53 0.75 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 76 R 8.04 4.66 0.00 1.62 1.77 0.00 3.33 0.00 0.00 3.22 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 77 D 8.86 4.24 0.00 2.88 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 78 E 8.89 3.98 0.00 2.02 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 0.00 2.42 2.43 0.00 79 M 8.21 4.04 0.00 2.02 2.31 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.58 0.00 80 A 8.13 4.29 1.40 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 81 E 8.17 3.97 0.00 2.04 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 2.45 2.60 0.00 82 E 8.25 4.03 0.00 2.05 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 2.36 2.55 0.00 83 F 7.57 4.41 0.00 3.39 3.29 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 84 L 8.37 4.23 0.00 1.92 1.80 1.09 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 85 Q 8.30 4.19 0.00 1.90 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.71 0.00 0.00 0.00 0.00 0.00 2.19 2.43 0.00 86 T 7.64 4.54 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 1.14 0.00 0.00 87 A 7.51 3.95 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 88 L 7.84 3.50 0.00 1.71 1.69 0.95 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 89 P 0.00 3.84 0.00 2.11 2.13 0.00 3.66 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 2.19 0.00 90 L 8.20 4.36 0.00 1.76 1.75 0.91 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 91 A 8.10 4.92 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 E 8.17 4.44 0.00 1.93 1.94 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 2.20 2.30 0.00 93 L 6.82 3.70 0.00 1.73 1.85 1.00 0.77 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 94 A 8.62 4.48 1.33 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 0.00 0.00 95 T 8.61 3.16 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 1.11 0.00 0.00 96 S 8.76 3.94 0.00 4.24 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 0.00 97 Q 8.16 4.39 0.00 2.14 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.83 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 98 F 7.79 4.85 0.00 3.08 3.05 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 99 D 9.87 4.69 0.00 2.80 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 0.00 100 D 8.53 4.75 0.00 2.72 2.73 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 0.00 101 T 7.39 4.58 4.34 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 1.25 0.00 0.00 102 G 8.36 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 0.00 103 N 7.78 5.20 0.00 2.97 2.82 0.00 0.00 6.59 8.13 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 0.00 104 F 7.57 4.23 0.00 2.53 1.59 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 0.00 105 S 8.76 5.06 0.00 3.73 3.68 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 0.00 106 F 8.81 4.95 0.00 3.18 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 0.00 107 G 8.78 4.15 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 0.00 0.00 0.00 *128 L 8.45 4.04 0.00 1.74 1.58 0.93 1.12 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 0.00 129 D 8.72 5.01 0.00 2.70 2.43 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 0.00 130 V 8.04 4.24 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 0.00 0.00 0.95 0.00 0.00 0.92 0.00 0.00 131 T 8.87 4.73 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 1.09 0.00 0.00 132 V 7.88 4.46 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 1.08 0.00 0.00 0.78 0.00 0.00 133 N 8.66 5.13 0.00 2.81 2.89 0.00 0.00 6.53 5.96 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 0.00 134 L 8.25 5.32 0.00 1.70 1.50 1.32 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 135 V 7.95 4.30 1.58 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 0.17 0.00 0.00 0.76 0.00 0.00 136 R 8.41 4.59 0.00 1.79 2.12 0.00 2.98 0.00 0.00 2.99 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.50 0.00 137 P 0.00 4.01 0.00 2.26 2.12 0.00 3.60 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 2.10 2.10 0.00 138 G 7.97 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 0.00 0.00 0.00 0.00 139 Y 8.13 4.28 0.00 3.13 2.99 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 0.00 140 R 8.28 4.08 0.00 1.94 1.95 0.00 3.25 0.00 0.00 3.27 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 141 V 7.49 3.49 2.13 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 0.99 0.00 0.00 0.98 0.00 0.00 142 A 7.81 5.00 0.96 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 0.00 143 K 7.65 4.27 0.00 1.63 1.79 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.86 1.50 7.81 144 R 7.61 4.26 0.00 1.89 1.95 0.00 3.16 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.60 0.00 145 D 8.39 4.55 0.00 2.67 2.73 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 0.00 146 K 7.84 4.03 0.00 1.80 1.71 0.00 1.80 0.00 0.00 1.81 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.42 7.81 147 A 8.81 4.05 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 0.00 148 S 7.24 4.51 0.00 3.82 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 0.00 149 R 8.83 4.60 0.00 1.86 1.72 0.00 3.11 0.00 0.00 3.08 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 150 S 8.49 4.68 0.00 3.90 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 0.00 151 I 8.26 3.86 1.97 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 1.41 1.13 1.04 0.00 0.00 152 P 0.00 4.45 0.00 2.21 1.98 0.00 3.67 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 2.08 0.00 153 T 8.84 3.93 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 0.00 154 K 8.02 4.05 0.00 1.77 1.95 0.00 1.65 0.00 0.00 1.66 0.00 0.00 3.13 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.58 7.81 155 H 8.24 4.67 0.00 3.10 3.44 0.00 5.94 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 R 7.31 4.29 0.00 2.11 1.90 0.00 3.42 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.75 0.00 157 L 8.17 4.56 0.00 1.67 1.76 0.90 0.54 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 0.00 158 N 7.97 4.77 0.00 3.21 2.73 0.00 0.00 6.66 7.91 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 0.00 159 P 0.00 4.35 0.00 2.16 2.17 0.00 3.62 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.41 0.00 160 A 7.95 3.88 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 0.00 161 D 8.17 4.43 0.00 2.71 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 0.00 162 A 7.67 4.30 1.58 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 0.00 0.00 163 V 7.41 3.17 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 0.65 0.00 0.00 0.28 0.00 0.00 164 A 7.88 3.88 1.35 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 0.00 0.00 165 F 7.76 4.12 0.00 3.10 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 0.00 166 I 7.88 3.48 1.83 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.93 0.88 0.00 0.00 167 E 8.19 4.34 0.00 1.88 2.13 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 2.27 2.14 0.00 168 S 8.01 4.52 0.00 3.85 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 0.00 169 T 7.96 4.74 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 1.18 0.00 0.00 170 Y 7.76 3.33 0.00 3.01 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 0.00 171 D 6.60 4.41 0.00 2.92 2.85 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 0.00 172 V 7.80 4.73 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 0.84 0.00 0.00 0.89 0.00 0.00 173 E 8.71 4.36 0.00 1.99 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 2.39 2.19 0.00 174 V 7.64 4.08 2.05 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 1.09 0.00 0.00 0.88 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.