NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4063 8.1927 115.4146 58.2378 64.4258 171.6596 2 V 4.1929 8.0952 120.3568 60.7669 32.7998 173.5847 3 R 4.6396 8.0357 125.8367 53.9154 33.5192 175.4104 4 K 4.1573 8.2442 120.3810 56.2995 32.9565 175.6104 5 I 4.5980 7.9582 125.4839 59.3518 38.7405 175.5916 6 L 4.2210 8.4868 126.1873 54.9969 42.2636 177.0512 7 R 4.7157 8.4600 121.6953 54.6441 32.7597 175.3687 8 M 4.0967 8.5336 122.0870 56.0339 32.0168 174.5603 9 G 3.4835 9.1548 119.4694 45.7638 0.0000 173.7395 10 D 4.4163 7.9274 122.2260 53.1001 41.7523 175.3218 11 P 4.3165 0.0000 0.0000 65.3691 31.9950 178.2629 12 I 3.7287 8.8319 121.0147 64.5494 36.8586 177.8319 13 L 4.1874 7.8587 119.1457 56.6937 41.4344 178.0527 14 R 4.7303 8.1959 116.4414 55.8501 31.0831 176.4357 15 K 4.4728 7.8821 118.7796 55.2021 33.8651 176.5085 16 I 4.2240 8.1208 123.6661 61.0143 37.5700 176.2506 17 S 4.5320 8.4697 124.4386 58.4457 63.5928 173.7135 18 E 4.7320 8.6320 121.0718 53.7241 32.3678 173.5093 19 P 4.6172 0.0000 0.0000 63.0748 32.4015 175.6026 20 V 4.4981 8.0431 121.0927 61.2254 33.4562 175.8197 21 T 4.2288 9.3361 119.7929 61.4249 69.6527 176.2131 22 E 4.1162 8.6285 118.4070 57.9785 30.1719 178.9762 23 D 4.6475 7.9212 117.2967 57.4909 41.7623 178.2152 24 E 3.8493 8.1374 119.4292 59.5510 29.2744 179.2382 25 I 2.1258 7.2362 110.2279 62.2653 37.5099 176.1959 26 Q 4.4619 8.0089 121.1468 57.1694 30.6701 177.0100 27 T 3.9739 7.6789 113.0036 61.6762 68.8013 180.7348 28 K 4.2820 8.8896 132.0814 59.8236 31.5186 178.7905 29 E 4.2547 8.1868 117.1105 61.2271 29.8681 182.1103 30 F 4.5753 8.2472 123.5117 61.9461 39.6821 177.7331 31 K 3.7772 8.5767 125.1844 60.7670 31.2413 181.6028 32 K 4.2449 7.8462 123.8037 59.3791 31.5225 181.4163 33 L 4.0616 7.9302 121.4454 58.5502 41.9584 178.5947 34 I 3.7006 7.6374 121.0346 65.3091 36.9158 178.5153 35 R 4.0148 7.9804 120.2365 61.9623 29.3199 180.3290 36 D 4.7957 8.2771 121.1811 56.8942 40.9143 178.6145 37 M 3.8928 8.7224 119.6201 59.0390 32.0300 178.5070 38 F 3.9473 8.5643 117.5664 61.1973 38.8501 177.6915 39 T 4.1335 8.6782 115.4218 67.3129 68.4210 176.8373 40 T 3.9419 8.4196 117.8071 66.6367 68.6140 176.5228 41 M 3.9888 8.4618 120.3838 58.9388 31.9882 178.2246 42 R 3.9873 8.5197 118.5054 59.6737 29.9791 178.5773 43 H 4.1290 7.7208 116.3852 59.2129 30.1326 176.7274 44 A 4.2368 7.7501 118.3125 51.8152 18.8050 176.5532 45 E 3.6289 7.7367 115.5813 57.3492 27.1537 174.5530 46 G 4.0229 7.8479 106.7636 44.6520 0.0000 173.9435 47 V 4.5242 7.4059 116.9962 62.5329 33.2364 174.8685 48 G 4.5905 7.7000 104.6068 47.1635 0.0000 172.0434 49 L 4.8331 8.8304 120.4009 53.7237 46.1846 173.5656 50 A 5.0550 9.1800 126.3428 49.9593 21.7159 176.9058 51 A 3.8424 8.8559 125.5197 54.9129 18.5222 178.4724 52 P 4.2790 0.0000 0.0000 66.3341 31.0880 178.2049 53 Q 4.1646 8.4904 118.1335 57.8828 28.3690 178.0295 54 I 4.8312 6.8596 112.6337 59.0744 38.4566 175.8905 55 G 4.0126 8.1669 108.2814 45.5281 0.0000 173.7036 56 I 4.3653 7.5320 120.7833 59.5690 38.9730 176.4875 57 L 4.5012 8.1912 128.1038 53.4239 39.9557 175.3711 58 K 5.0726 7.6582 118.3951 54.3001 36.7228 178.1846 59 Q 4.4537 8.9280 123.9048 55.9184 26.6590 173.5939 60 I 5.0620 7.7422 120.8784 59.2923 41.3373 174.5336 61 V 4.9206 9.3357 126.8456 61.0166 35.3822 174.3652 62 V 4.6427 8.6004 124.7076 61.2750 34.7230 174.5771 63 V 4.9249 8.5463 120.2780 59.3307 35.9254 175.0295 64 G 4.5043 8.4586 113.2187 46.9473 0.0000 172.6320 65 S 4.9360 9.0036 122.5877 57.9293 63.6788 172.4999 66 E 3.7005 9.6766 122.4830 59.3734 28.1966 177.9417 67 D 4.6135 8.7797 119.4936 51.8300 43.9796 177.2459 68 N 4.2961 9.0035 114.8024 53.4026 33.5027 178.2913 69 E 4.6685 7.9102 115.8247 57.0031 35.0925 178.6378 70 R 4.5646 8.1598 116.0408 56.9062 30.8777 179.6755 *71 Y 4.8317 7.2643 115.2763 55.7069 37.5442 178.8240 72 P 4.4029 0.0000 0.0000 65.3383 32.1754 178.7088 73 G 3.7027 7.9810 105.0696 46.7212 0.0000 173.2554 74 T 4.2016 7.1333 116.2426 60.6072 69.6087 171.7083 75 P 3.7503 0.0000 0.0000 65.6654 30.9600 176.5645 76 D 4.4850 7.2677 114.9487 51.9066 43.7203 178.2247 77 V 4.5931 7.6198 121.7722 59.8828 34.1212 173.0350 78 P 4.7425 0.0000 0.0000 62.6141 31.9706 176.1276 79 E 4.4807 8.8648 121.6979 57.3837 30.1923 176.2750 80 R 4.5698 8.7771 120.7528 55.9636 34.5180 172.8512 81 I 4.9175 8.6926 124.9302 59.7698 39.2781 174.9275 82 I 4.6501 8.8172 127.9950 59.4821 39.5641 174.5866 83 L 5.0930 8.7436 126.5296 53.4155 45.1878 176.5226 84 N 4.2061 8.6083 120.3797 53.7950 36.6379 172.8205 85 P 4.8841 0.0000 0.0000 62.9881 33.3313 177.7010 86 V 4.4460 8.7322 121.0903 61.6661 34.6861 173.9846 87 I 5.1408 8.5067 127.9028 60.0745 40.4026 175.3040 88 T 4.6498 8.3519 120.0148 61.4309 72.5632 172.0152 89 P 4.6621 0.0000 0.0000 62.8772 31.6502 176.1789 90 L 4.6922 8.9688 121.8778 55.2817 43.8206 176.2874 91 T 4.6435 7.6891 110.8626 60.6670 70.4630 173.0796 92 K 4.3955 8.4030 122.1059 56.4077 32.7994 176.9435 93 D 4.7629 7.7075 119.9915 54.4078 41.8843 175.4804 94 T 5.0639 8.4277 111.1206 60.0306 72.3497 173.3408 95 S 4.6625 8.4820 118.3655 56.6428 66.0270 174.2680 96 G 4.1836 8.8766 111.9924 45.8417 0.0000 172.1959 97 F 4.4317 6.9282 118.1060 57.0782 43.7231 173.2634 98 W 4.9132 8.9692 125.7437 55.9541 29.0917 175.6925 99 E 4.4817 9.1740 125.6445 55.2936 31.1959 176.0339 100 G 4.2863 8.0499 108.0308 44.8642 0.0000 171.5144 101 C 4.9594 9.0127 124.8803 57.5158 33.3571 174.4457 102 L 4.0709 8.5899 125.6748 57.9755 41.6226 178.6990 103 S 4.4740 8.1594 113.3839 60.0450 63.4666 173.5137 104 V 4.9592 7.5902 119.8939 59.6472 30.8763 172.6359 105 P 4.2756 0.0000 0.0000 63.8372 32.1963 177.4789 106 G 4.0673 9.2836 108.5131 46.2947 0.0000 172.2473 107 M 5.2565 7.8877 117.0599 53.4716 36.0454 174.6718 108 R 5.1288 8.8652 120.8436 54.6463 34.2098 175.0319 109 G 4.8434 9.3365 107.9983 44.9284 0.0000 171.0167 110 Y 4.0777 7.8934 124.1114 56.5747 40.1958 174.4065 111 V 4.4201 8.4528 126.8218 61.0692 35.0106 173.6000 112 E 4.5743 8.4653 127.0456 54.2135 30.8387 175.5278 113 R 4.7331 8.1942 122.1088 53.2750 34.7583 173.1696 114 P 5.1527 0.0000 0.0000 62.4276 32.1766 175.9261 115 N 4.9669 8.7133 116.7041 52.6900 39.2191 173.7038 116 Q 4.8305 7.9153 118.9436 54.8174 32.6576 173.6931 117 I 5.0471 8.8668 117.5413 59.0170 41.9498 174.4878 118 R 4.9650 9.1525 125.0555 55.3179 31.2603 174.2945 119 M 5.2145 8.6951 126.5992 54.0035 35.3161 174.5510 120 Q 5.2483 9.1878 123.2802 54.3024 32.5028 173.7450 121 W 5.4484 8.3543 122.9980 56.7570 31.9647 173.2066 122 M 5.4750 8.9480 114.3701 56.3101 35.8575 175.3725 123 D 5.3936 8.6196 124.3446 51.2353 42.0886 176.7536 124 E 3.6378 8.9837 118.5405 59.3443 29.3933 178.8077 125 K 4.1736 8.2129 115.9068 56.8221 32.6549 177.5868 126 G 3.9847 8.9050 107.8477 44.8313 0.0000 173.6829 127 N 4.1661 8.6264 121.1755 53.7294 39.0318 174.2941 128 Q 4.7494 8.0317 122.8076 54.0213 29.8148 173.0152 129 F 4.2972 7.4524 122.3853 55.0732 42.2497 174.7648 130 D 5.2225 7.6726 112.8670 54.6000 42.0845 173.9198 131 E 4.9421 8.4882 122.3199 54.2114 34.5315 174.0966 132 T 4.9332 8.5110 115.4130 60.9119 68.6582 173.6654 133 I 4.7402 8.8669 130.1694 60.0224 40.1617 174.2224 134 D 5.0774 7.7140 122.6295 52.5359 42.9705 175.8327 135 G 3.9196 7.9744 108.3023 45.8831 0.0000 174.4506 136 Y 3.9008 7.9662 117.7702 60.0492 39.5317 178.2627 137 K 3.2444 8.0702 119.0146 59.4690 32.0552 178.6079 138 A 3.8777 7.7666 120.6998 55.4233 18.0872 179.7005 139 I 3.3936 7.1508 117.3440 64.7615 37.2077 178.0074 140 V 3.2138 7.3497 118.9454 66.1483 30.9884 177.3178 141 Y 4.3506 8.2811 116.1499 61.5917 37.9557 179.2681 142 Q 4.0159 8.3756 118.8007 59.1235 28.5886 178.3198 143 H 4.0067 8.2272 118.3430 59.3458 30.1795 176.8429 144 E 4.1194 8.7848 120.4021 59.7645 29.3962 178.7927 145 C 3.9613 8.9507 119.7131 62.6975 31.3492 175.3945 146 D 4.2893 8.1137 120.4016 57.7693 40.2928 178.3145 147 H 4.1610 8.0841 116.4617 58.9911 28.4899 177.6415 148 L 4.1492 7.9728 120.5104 56.8019 41.1864 178.2405 149 Q 4.4840 8.0779 116.5220 55.1790 28.8245 175.4474 150 G 3.8465 7.6754 105.3849 47.8578 0.0000 174.2606 151 I 4.6491 7.6634 118.4490 58.9620 40.3775 175.2405 152 L 4.6347 8.4483 124.8254 52.6707 43.7972 177.0436 153 Y 4.1243 8.7180 121.0274 60.7840 37.2108 179.2079 154 V 2.8640 6.7023 118.0409 65.4688 31.4470 177.0836 155 D 4.4364 8.8225 118.1001 55.8232 40.7079 177.0394 156 R 4.4668 7.9090 117.0604 55.3304 30.7476 175.9791 157 L 4.0092 7.7840 118.2798 55.2004 42.0751 177.1368 158 K 4.0401 8.2952 124.5610 58.8725 32.5827 176.6415 159 D 4.7233 7.7629 117.6566 52.3617 43.8721 175.8254 160 T 4.0264 8.7144 116.7888 64.2469 69.0018 175.5527 161 K 4.1855 8.1961 121.5315 59.3779 32.7753 178.0221 162 L 4.6133 7.8871 120.9914 51.9066 40.0099 174.8352 163 F 5.3315 7.6259 116.8851 57.8532 43.0771 173.4738 164 G 3.7943 7.9590 111.4012 45.9855 0.0000 171.7659 165 F 4.8368 8.3747 118.0840 57.0111 40.1846 176.8449 166 N 4.2963 9.3756 124.1886 57.5801 38.2595 178.1815 167 E 3.9616 8.0023 117.7716 61.1006 29.9606 180.4607 168 T 4.5997 7.5055 106.7122 61.8185 69.6495 176.0882 169 L 4.1594 7.8235 121.7385 56.7055 41.8165 176.4758 170 D 4.6816 8.7272 117.5552 52.2093 41.4600 176.2503 171 S 4.5825 8.1684 119.3072 58.0429 62.9291 174.2533 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 4.41 0.00 4.02 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 2 V 8.10 4.19 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 0.72 0.00 0.00 0.93 0.00 0.00 3 R 8.04 4.64 0.00 1.75 1.80 0.00 3.20 0.00 0.00 3.14 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 4 K 8.24 4.16 0.00 1.78 1.66 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.50 1.46 7.81 5 I 7.96 4.60 1.88 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 1.40 0.73 0.97 0.00 0.00 6 L 8.49 4.22 0.00 1.53 1.61 0.97 0.80 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 7 R 8.46 4.72 0.00 1.75 1.86 0.00 3.33 0.00 0.00 3.29 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.58 0.00 8 M 8.53 4.10 0.00 2.05 2.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.51 0.00 9 G 9.15 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 D 7.93 4.42 0.00 2.72 2.57 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 11 P 0.00 4.32 0.00 2.25 2.29 0.00 3.77 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 2.07 1.99 0.00 12 I 8.83 3.73 1.96 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 1.46 1.05 0.91 0.00 0.00 13 L 7.86 4.19 0.00 1.77 1.72 1.02 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 14 R 8.20 4.73 0.00 1.71 1.92 0.00 3.28 0.00 0.00 3.20 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.70 0.00 15 K 7.88 4.47 0.00 1.79 1.72 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.55 7.81 16 I 8.12 4.22 1.87 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 1.33 0.46 0.91 0.00 0.00 17 S 8.47 4.53 0.00 3.71 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 18 E 8.63 4.73 0.00 2.04 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 0.00 2.32 2.27 0.00 19 P 0.00 4.62 0.00 1.95 2.07 0.00 3.64 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 2.04 2.12 0.00 20 V 8.04 4.50 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 0.74 0.00 0.00 1.04 0.00 0.00 21 T 9.34 4.23 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 1.23 0.00 0.00 22 E 8.63 4.12 0.00 2.01 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 2.23 1.91 0.00 23 D 7.92 4.65 0.00 2.65 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 24 E 8.14 3.85 0.00 1.79 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 2.31 2.29 0.00 25 I 7.24 2.13 1.61 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 1.49 0.19 0.50 0.00 0.00 26 Q 8.01 4.46 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.79 0.00 0.00 0.00 0.00 0.00 2.30 2.24 0.00 27 T 7.68 3.97 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 1.21 0.00 0.00 28 K 8.89 4.28 0.00 1.75 1.85 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.93 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.07 7.81 29 E 8.19 4.25 0.00 2.06 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 2.23 1.94 0.00 30 F 8.25 4.58 0.00 3.17 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 31 K 8.58 3.78 0.00 1.80 1.84 0.00 1.84 0.00 0.00 1.85 0.00 0.00 2.91 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.46 1.11 7.81 32 K 7.85 4.24 0.00 1.75 1.84 0.00 1.79 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.37 1.31 7.81 33 L 7.93 4.06 0.00 1.68 1.63 0.90 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 34 I 7.64 3.70 1.91 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.36 1.09 0.00 0.00 35 R 7.98 4.01 0.00 1.85 1.98 0.00 3.28 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 36 D 8.28 4.80 0.00 2.88 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 37 M 8.72 3.89 0.00 1.82 2.18 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.54 0.00 38 F 8.56 3.95 0.00 3.26 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 39 T 8.68 4.13 4.45 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 1.25 0.00 0.00 40 T 8.42 3.94 4.38 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 1.22 0.00 0.00 41 M 8.46 3.99 0.00 2.09 1.97 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.68 0.00 42 R 8.52 3.99 0.00 1.88 2.04 0.00 3.41 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.92 0.00 43 H 7.72 4.13 0.00 3.28 3.55 0.00 5.75 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 A 7.75 4.24 1.36 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 0.00 0.00 0.00 45 E 7.74 3.63 0.00 2.16 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 2.24 2.36 0.00 46 G 7.85 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 0.00 0.00 0.00 47 V 7.41 4.52 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 1.49 0.00 0.00 1.01 0.00 0.00 48 G 7.70 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.68 3.70 0.00 2.08 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 0.00 2.32 2.36 0.00 67 D 8.78 4.61 0.00 2.66 2.54 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 68 N 9.00 4.30 0.00 2.93 2.84 0.00 0.00 6.30 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 69 E 7.91 4.67 0.00 1.91 1.80 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 2.12 1.86 0.00 70 R 8.16 4.56 0.00 1.81 1.82 0.00 3.18 0.00 0.00 3.26 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.16 0.00 *71 Y 7.26 4.83 0.00 2.16 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 0.00 0.00 0.00 0.00 72 P 0.00 4.40 0.00 2.01 2.12 0.00 3.62 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.26 0.00 73 G 7.98 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 82 I 8.82 4.65 1.68 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.74 0.53 0.00 0.00 83 L 8.74 5.09 0.00 1.90 1.61 1.12 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 84 N 8.61 4.21 0.00 2.88 2.86 0.00 0.00 7.04 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 85 P 0.00 4.88 0.00 1.99 1.96 0.00 3.73 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.90 0.00 86 V 8.73 4.45 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 0.98 0.00 0.00 1.02 0.00 0.00 87 I 8.51 5.14 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.74 0.91 0.00 0.00 88 T 8.35 4.65 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 1.22 0.00 0.00 89 P 0.00 4.66 0.00 1.93 1.97 0.00 3.63 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.11 0.00 90 L 8.97 4.69 0.00 1.55 1.70 0.96 0.70 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 91 T 7.69 4.64 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 1.21 0.00 0.00 92 K 8.40 4.40 0.00 1.78 1.82 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.39 7.81 93 D 7.71 4.76 0.00 2.63 2.58 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 94 T 8.43 5.06 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 1.23 0.00 0.00 95 S 8.48 4.66 0.00 3.75 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 96 G 8.88 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 0.00 0.00 0.00 0.00 97 F 6.93 4.43 0.00 3.16 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 98 W 8.97 4.91 0.00 3.23 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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4.97 0.00 2.79 2.98 0.00 0.00 5.71 7.09 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 0.00 116 Q 7.92 4.83 0.00 1.97 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.86 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 117 I 8.87 5.05 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.33 0.90 0.00 0.00 118 R 9.15 4.96 0.00 1.90 1.89 0.00 3.10 0.00 0.00 3.13 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 119 M 8.70 5.21 0.00 2.05 1.86 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.46 0.00 120 Q 9.19 5.25 0.00 2.13 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.23 0.00 0.00 0.00 0.00 0.00 2.49 2.40 0.00 121 W 8.35 5.45 0.00 3.41 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 0.00 122 M 8.95 5.47 0.00 2.19 1.90 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.30 0.00 123 D 8.62 5.39 0.00 3.07 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 0.00 124 E 8.98 3.64 0.00 2.10 2.36 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 2.48 2.62 0.00 125 K 8.21 4.17 0.00 1.96 1.87 0.00 1.67 0.00 0.00 1.79 0.00 0.00 3.16 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.52 7.81 126 G 8.90 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 0.00 127 N 8.63 4.17 0.00 2.67 2.12 0.00 0.00 6.91 7.00 0.00 0.00 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 Q 8.03 4.75 0.00 1.82 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.80 0.00 0.00 0.00 0.00 0.00 2.19 1.93 0.00 129 F 7.45 4.30 0.00 1.51 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 0.00 130 D 7.67 5.22 0.00 2.61 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 0.00 131 E 8.49 4.94 0.00 2.25 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 2.42 2.46 0.00 132 T 8.51 4.93 4.29 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 1.26 0.00 0.00 133 I 8.87 4.74 1.87 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.92 0.77 0.00 0.00 134 D 7.71 5.08 0.00 2.72 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 0.00 135 G 7.97 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 0.00 136 Y 7.97 3.90 0.00 3.02 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 0.00 137 K 8.07 3.24 0.00 1.45 0.95 0.00 1.52 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.41 7.81 138 A 7.77 3.88 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 0.00 139 I 7.15 3.39 1.41 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 1.30 0.59 0.45 0.00 0.00 140 V 7.35 3.21 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 0.95 0.00 0.00 0.20 0.00 0.00 141 Y 8.28 4.35 0.00 2.92 2.77 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 0.00 0.00 0.00 142 Q 8.38 4.02 0.00 2.17 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.78 0.00 0.00 0.00 0.00 0.00 2.35 2.58 0.00 143 H 8.23 4.01 0.00 3.01 3.50 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 E 8.78 4.12 0.00 2.09 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 2.50 2.45 0.00 145 C 8.95 3.96 0.00 2.82 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 0.00 146 D 8.11 4.29 0.00 2.95 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 0.00 147 H 8.08 4.16 0.00 3.36 3.33 0.00 5.61 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 L 7.97 4.15 0.00 1.82 1.70 0.90 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 149 Q 8.08 4.48 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.55 0.00 0.00 0.00 0.00 0.00 2.31 2.41 0.00 150 G 7.68 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 0.00 0.00 0.00 151 I 7.66 4.65 1.79 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 1.36 0.83 0.88 0.00 0.00 152 L 8.45 4.63 0.00 1.53 1.39 0.87 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 153 Y 8.72 4.12 0.00 3.16 3.25 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 0.00 154 V 6.70 2.86 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 0.49 0.00 0.00 0.08 0.00 0.00 155 D 8.82 4.44 0.00 2.48 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 0.00 156 R 7.91 4.47 0.00 1.79 1.85 0.00 3.14 0.00 0.00 3.17 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.50 0.00 157 L 7.78 4.01 0.00 1.46 1.51 -0.09 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 158 K 8.30 4.04 0.00 1.75 1.91 0.00 2.00 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.39 7.81 159 D 7.76 4.72 0.00 2.69 2.45 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 0.00 160 T 8.71 4.03 4.33 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 1.19 0.00 0.00 161 K 8.20 4.19 0.00 1.87 1.98 0.00 1.82 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.75 7.81 162 L 7.89 4.61 0.00 1.84 1.44 0.74 0.89 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 0.00 163 F 7.63 5.33 0.00 2.91 3.19 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 0.00 164 G 7.96 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 0.00 165 F 8.37 4.84 0.00 3.02 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 0.00 166 N 9.38 4.30 0.00 2.83 2.89 0.00 0.00 6.92 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 0.00 167 E 8.00 3.96 0.00 2.06 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 2.24 1.99 0.00 168 T 7.51 4.60 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 1.18 0.00 0.00 169 L 7.82 4.16 0.00 1.53 1.47 0.78 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 170 D 8.73 4.68 0.00 2.61 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 0.00 171 S 8.17 4.58 0.00 3.89 3.87 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 * Residues marked with a * may have inaccurate shift predictions.