NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 3.9297 0.0000 0.0000 61.8709 33.1595 174.7425 2 L 5.0358 7.9277 121.6895 50.3504 44.3687 174.1492 3 R 4.5777 9.2112 121.6100 55.8071 32.9422 175.8771 *5 G 3.5709 8.7923 103.9738 48.2991 0.0000 174.3060 6 G 4.0622 9.3305 112.9857 46.1455 0.0000 173.9893 7 N 4.8664 10.1839 113.9303 52.2658 40.3868 171.9431 8 G 3.2867 8.1976 106.4414 44.8180 0.0000 173.4497 9 Q 4.2492 7.9802 124.0337 55.4700 29.3672 175.8931 10 L 4.5274 8.6696 126.9545 54.9230 42.8977 176.2785 11 Q 4.6304 9.1487 123.5080 54.6418 32.4586 172.9956 12 Y 5.1405 8.8991 127.6534 56.2618 40.3235 174.4763 13 W 5.0203 7.5222 122.5576 54.0578 31.2659 173.3033 14 P 4.0847 0.0000 0.0000 61.8202 31.6028 176.3294 15 F 4.2119 8.1419 119.2965 57.9117 39.4846 175.9681 16 S 4.4211 8.6600 118.2326 58.0768 64.2285 175.6028 17 S 3.8978 8.5673 123.0913 61.3366 62.8815 176.8183 18 S 4.0944 7.7712 119.0609 61.5207 62.4678 176.3499 19 D 3.5915 7.6343 120.7968 57.0350 40.5437 178.5517 20 L 3.5486 6.7235 119.2080 58.0301 41.5676 179.3804 21 Y 4.3795 7.6765 116.5961 60.8578 37.7816 177.9125 22 N 4.3410 8.2024 117.7065 56.1024 38.4267 177.3227 23 W 4.4698 7.7988 119.3917 59.7427 28.9242 178.1282 24 K 4.1739 8.3269 119.4332 59.8306 31.5084 178.6467 25 N 4.5843 8.7030 115.3913 55.2913 38.4167 176.1494 26 N 4.9828 7.8257 116.3397 51.9743 39.5036 174.1299 27 N 5.0760 7.2346 115.7782 50.8156 42.8568 172.6482 28 P 4.5506 0.0000 0.0000 61.9889 32.5533 176.6831 29 S 4.4101 9.0118 114.6890 58.0754 64.3590 175.1338 30 F 4.1778 8.7610 124.2335 61.7983 38.9764 177.5216 31 S 4.1309 8.3797 113.5506 61.4929 62.6259 176.3346 32 E 4.3144 8.1138 120.6693 58.3174 30.2650 177.3130 33 D 4.5284 7.9796 119.8265 51.3371 42.6628 173.3085 34 P 3.9560 0.0000 0.0000 64.1811 31.3501 178.0870 35 G 3.6309 8.0302 104.1772 47.5675 0.0000 175.7214 36 K 3.9778 7.7892 120.8009 59.5599 32.1934 179.5681 37 L 4.0793 7.8995 118.5907 57.8141 41.5112 179.6737 38 T 3.8784 8.1999 115.7653 66.6594 68.4835 176.4200 39 A 3.9549 8.1664 122.7678 54.9375 18.2906 179.4720 40 L 3.6861 7.8571 118.7058 58.3781 42.2285 179.2166 41 I 3.4405 7.9614 120.1385 64.1867 36.8249 177.8699 42 E 3.8709 8.3988 120.4916 59.3572 29.3266 178.8574 43 S 4.0995 7.9766 112.8703 61.5219 62.4269 176.2730 44 V 3.6146 7.6243 122.2936 65.3843 30.9001 177.7778 45 L 4.0246 8.1220 118.3507 57.9398 41.5349 179.4144 46 T 4.1790 7.4913 114.2890 66.6766 68.5956 177.3657 47 T 3.9359 8.3302 112.0072 64.3728 68.9776 175.4117 48 H 4.6292 8.7413 117.1022 54.8009 30.1891 174.6665 49 Q 3.3695 7.5115 119.6446 56.1370 26.5139 172.8625 50 P 4.3083 0.0000 0.0000 62.6860 32.6043 177.6879 51 T 4.3690 8.7975 112.3034 60.7350 71.2558 175.4350 52 W 3.8268 8.7132 129.1495 60.7568 30.5884 177.3242 53 D 4.4355 8.3709 118.3044 57.5756 40.2798 178.3212 54 D 4.4962 8.1243 119.2178 57.7260 40.7981 178.7063 55 C 4.2360 8.4325 117.4558 62.9631 28.0299 176.2343 56 Q 3.7536 7.7086 119.6449 58.8471 28.3268 178.6327 57 Q 3.9259 8.0660 120.6649 58.8497 29.0828 177.9953 58 L 3.7788 8.3836 121.8375 58.1596 42.1710 179.0096 59 L 4.0019 8.0728 119.1319 57.7658 41.3393 179.8194 60 G 3.5836 8.1812 104.8554 47.7757 0.0000 175.4142 61 T 4.1986 7.5785 116.6442 65.6505 68.8404 176.3587 62 L 4.4490 7.7467 118.6514 54.1703 42.6140 176.5677 63 L 4.9536 7.2489 118.2185 52.2878 44.8896 176.8698 64 T 4.3234 9.0185 113.2102 61.1475 70.8331 175.9727 65 G 3.6736 8.5269 107.3257 47.9770 0.0000 175.7076 66 E 3.9831 8.0781 120.4045 59.1543 29.6310 179.1163 67 E 3.9658 8.1850 118.5426 59.3342 29.6096 179.2391 68 K 3.7621 8.3979 119.9835 59.6533 32.2487 178.5171 69 Q 3.9947 8.3794 120.0082 59.0070 28.9238 178.2551 70 R 3.8693 7.9574 119.8440 59.3359 30.0837 178.6229 71 V 3.5203 7.7081 117.9800 66.0998 31.4984 178.0364 72 L 3.9808 7.9721 118.6441 57.5883 41.4382 179.3900 73 L 3.9650 7.9673 118.9945 58.0152 41.3813 179.5431 74 E 3.8995 7.9998 116.8522 59.0886 29.6522 178.7341 75 A 3.8824 7.8949 121.1161 55.3255 17.9951 180.0128 76 R 3.8425 7.5373 116.2774 59.0933 29.9190 179.0939 77 K 4.4096 8.0643 117.7956 57.3324 32.0241 177.9874 78 A 4.5765 7.1754 120.0660 50.7338 19.9980 176.7068 79 V 3.7521 7.1051 120.1906 63.7809 32.2220 175.5290 80 R 4.9732 8.2373 124.1720 54.0120 33.5610 175.8616 81 G 3.9843 9.2893 110.4919 44.7011 0.0000 174.3346 82 N 4.3929 8.5988 115.9940 55.5109 37.3914 175.5767 83 D 4.5035 8.0391 116.0309 53.4251 39.7143 177.0864 84 G 3.9560 7.9456 108.5723 45.4927 0.0000 174.0522 85 R 4.3795 8.0132 119.4153 54.1990 31.2460 174.4314 86 P 4.5788 0.0000 0.0000 63.3015 31.9710 175.7563 87 T 4.7445 8.2442 115.0265 61.1050 70.2763 173.2443 88 Q 4.6513 8.4260 123.5911 54.9072 30.6445 174.9690 89 L 4.2771 7.9869 119.6940 54.0351 42.8037 175.7808 90 P 4.3133 0.0000 0.0000 65.9609 31.4023 178.5477 91 N 4.3829 8.1437 115.0960 56.0135 37.2932 176.9908 92 E 4.0908 8.1571 120.4572 58.8328 29.7088 179.1660 93 V 3.6544 7.9662 118.3737 66.2859 31.4714 177.8490 94 D 4.5250 8.2133 117.0948 57.4124 40.7034 178.4332 95 A 4.2521 8.0969 120.3013 54.9596 18.4596 179.1365 96 A 4.5091 8.1324 118.4741 53.7622 20.2752 177.7720 97 F 5.1095 8.8281 117.8632 55.7063 39.3139 172.3577 98 P 4.5435 0.0000 0.0000 62.7698 32.1243 177.5317 99 L 4.5411 8.5734 120.1965 55.8937 42.3398 176.5902 100 E 4.7210 7.6725 116.9648 53.5713 32.1200 175.5815 101 R 2.0000 7.9927 121.3891 55.7080 30.1408 174.6938 102 P 4.0130 0.0000 0.0000 61.6303 32.5566 174.7231 103 D 4.6482 7.6916 115.3132 52.5927 39.6870 176.5817 104 W 4.3240 7.6904 119.5375 58.0692 29.5937 174.9592 105 D 4.6843 8.6449 122.6208 52.3497 41.6139 175.8656 106 Y 4.4588 8.0762 124.7131 58.5658 38.1415 176.3474 107 T 4.3780 8.2100 110.9797 62.2611 69.6868 175.0802 108 T 4.6938 7.7250 113.5771 59.6991 72.7325 174.6020 109 Q 3.9594 8.5511 123.0939 59.3927 29.1485 178.9234 110 R 3.9594 7.9947 118.8370 59.1483 30.1942 179.0982 111 G 3.5604 8.0784 105.4214 47.9145 0.0000 176.0206 112 R 3.9907 8.1389 120.8472 58.9569 30.0867 178.9266 113 N 4.2745 8.5191 116.7370 56.6182 38.4424 177.1496 114 H 3.6439 7.8320 117.5441 58.4495 28.5011 177.6756 115 L 3.9452 7.4652 122.1293 57.9827 41.9405 179.0634 116 V 3.6184 7.8273 118.2997 65.9174 31.3849 177.8062 117 L 4.1049 7.9562 120.0306 58.2168 41.8657 178.1001 118 Y 4.3191 8.2782 119.6703 61.1358 38.7825 178.5412 119 R 4.0174 8.4349 118.8151 59.2766 30.1635 179.0571 120 Q 4.0134 8.1646 117.8954 59.1183 28.6954 179.0014 121 L 3.9596 8.2009 120.0249 57.4466 41.3645 179.2884 122 L 3.8080 7.9962 119.9681 57.9125 42.1000 178.4609 123 L 4.0382 7.7889 118.7835 58.2121 42.2923 178.3520 124 A 4.5242 7.4950 122.0819 54.4137 18.1345 180.3012 125 G 3.7144 7.9927 101.1285 45.6186 0.0000 175.4022 *127 Q 4.3208 7.9987 121.1455 55.7981 30.7193 177.5892 128 N 4.3904 8.3790 113.6966 56.2168 38.7136 176.6264 129 A 4.1927 8.4233 120.8122 54.9954 18.7750 179.0588 130 G 3.5489 8.2019 104.1366 48.5877 0.0000 173.6718 131 R 4.0416 8.0172 122.9930 56.2382 29.9516 176.3878 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 P 0.00 3.93 0.00 0.49 0.74 0.00 2.36 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.87 0.00 2 L 7.93 5.04 0.00 1.44 1.40 0.70 -0.01 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 3 R 9.21 4.58 0.00 1.97 2.03 0.00 2.74 0.00 0.00 2.95 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.63 0.00 *5 G 8.79 3.57 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 0.00 0.00 0.00 6 G 9.33 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 7 N 10.18 4.87 0.00 2.63 2.76 0.00 0.00 6.92 7.98 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 8 G 8.20 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 0.00 0.00 0.00 9 Q 7.98 4.25 0.00 2.10 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.94 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 10 L 8.67 4.53 0.00 1.70 1.68 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 9.15 4.63 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.85 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 12 Y 8.90 5.14 0.00 2.94 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 13 W 7.52 5.02 0.00 3.05 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 14 P 0.00 4.08 0.00 2.10 2.10 0.00 3.77 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.29 0.00 15 F 8.14 4.21 0.00 3.11 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 16 S 8.66 4.42 0.00 3.96 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.57 3.90 0.00 4.04 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 18 S 7.77 4.09 0.00 3.78 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 19 D 7.63 3.59 0.00 2.25 1.54 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 20 L 6.72 3.55 0.00 1.09 1.24 0.65 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 21 Y 7.68 4.38 0.00 3.03 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 N 8.20 4.34 0.00 2.65 2.83 0.00 0.00 6.96 7.43 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 23 W 7.80 4.47 0.00 3.43 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 24 K 8.33 4.17 0.00 2.04 2.13 0.00 1.83 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.57 7.81 25 N 8.70 4.58 0.00 2.78 2.89 0.00 0.00 7.03 8.03 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 26 N 7.83 4.98 0.00 2.91 2.87 0.00 0.00 6.76 8.03 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 27 N 7.23 5.08 0.00 2.87 2.69 0.00 0.00 6.89 7.90 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 28 P 0.00 4.55 0.00 2.18 2.07 0.00 3.79 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 29 S 9.01 4.41 0.00 4.12 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 30 F 8.76 4.18 0.00 3.10 3.44 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 31 S 8.38 4.13 0.00 3.92 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 32 E 8.11 4.31 0.00 2.08 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 2.34 2.31 0.00 33 D 7.98 4.53 0.00 2.60 2.46 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 0.00 0.00 0.00 0.00 34 P 0.00 3.96 0.00 1.87 1.04 0.00 3.76 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.58 0.00 35 G 8.03 3.63 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 0.00 0.00 0.00 36 K 7.79 3.98 0.00 1.74 2.04 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.71 1.62 7.81 37 L 7.90 4.08 0.00 1.89 1.81 1.09 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 38 T 8.20 3.88 4.46 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 0.00 0.00 0.00 1.25 0.00 0.00 39 A 8.17 3.95 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 40 L 7.86 3.69 0.00 1.71 1.67 0.79 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 41 I 7.96 3.44 1.87 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.33 0.84 0.00 0.00 42 E 8.40 3.87 0.00 2.06 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 0.00 2.29 2.31 0.00 43 S 7.98 4.10 0.00 3.95 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 44 V 7.62 3.61 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 1.10 0.00 0.00 -0.04 0.00 0.00 45 L 8.12 4.02 0.00 1.77 1.76 0.96 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 46 T 7.49 4.18 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 1.23 0.00 0.00 47 T 8.33 3.94 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 1.28 0.00 0.00 48 H 8.74 4.63 0.00 3.45 3.24 0.00 5.92 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 7.51 3.37 0.00 2.37 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.85 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 50 P 0.00 4.31 0.00 2.24 2.10 0.00 3.99 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 2.07 2.05 0.00 51 T 8.80 4.37 4.35 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 1.28 0.00 0.00 52 W 8.71 3.83 0.00 3.07 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 53 D 8.37 4.44 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 54 D 8.12 4.50 0.00 3.00 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 55 C 8.43 4.24 0.00 3.05 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 56 Q 7.71 3.75 0.00 1.95 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 1.45 1.53 0.00 57 Q 8.07 3.93 0.00 2.29 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 58 L 8.38 3.78 0.00 1.96 1.83 0.73 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 59 L 8.07 4.00 0.00 1.65 1.61 0.88 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 60 G 8.18 3.58 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 0.00 61 T 7.58 4.20 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 1.07 0.00 0.00 62 L 7.75 4.45 0.00 1.60 1.73 0.92 1.05 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 63 L 7.25 4.95 0.00 1.60 1.41 0.54 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 64 T 9.02 4.32 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 65 G 8.53 3.67 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 0.00 0.00 0.00 66 E 8.08 3.98 0.00 2.05 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 2.41 2.41 0.00 67 E 8.18 3.97 0.00 2.14 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 2.56 2.40 0.00 68 K 8.40 3.76 0.00 1.69 1.83 0.00 1.58 0.00 0.00 1.54 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.39 7.81 69 Q 8.38 3.99 0.00 2.42 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 70 R 7.96 3.87 0.00 2.16 2.05 0.00 3.25 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 71 V 7.71 3.52 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 0.95 0.00 0.00 0.63 0.00 0.00 72 L 7.97 3.98 0.00 1.82 1.92 0.99 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 73 L 7.97 3.97 0.00 1.87 1.71 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 74 E 8.00 3.90 0.00 2.10 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 0.00 2.55 2.46 0.00 75 A 7.89 3.88 0.14 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 76 R 7.54 3.84 0.00 2.09 2.01 0.00 3.48 0.00 0.00 3.41 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.77 0.00 77 K 8.06 4.41 0.00 1.88 1.83 0.00 1.78 0.00 0.00 1.54 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.44 7.81 78 A 7.18 4.58 1.24 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 0.00 0.00 79 V 7.11 3.75 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 1.06 0.00 0.00 1.07 0.00 0.00 80 R 8.24 4.97 0.00 1.80 1.87 0.00 3.26 0.00 0.00 3.44 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.73 0.00 81 G 9.29 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 82 N 8.60 4.39 0.00 2.82 2.97 0.00 0.00 5.96 8.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 D 8.04 4.50 0.00 2.79 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 84 G 7.95 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 85 R 8.01 4.38 0.00 2.04 1.85 0.00 3.30 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 86 P 0.00 4.58 0.00 2.04 1.99 0.00 3.65 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 87 T 8.24 4.74 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 1.28 0.00 0.00 88 Q 8.43 4.65 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.87 0.00 0.00 0.00 0.00 0.00 2.34 2.29 0.00 89 L 7.99 4.28 0.00 1.74 1.62 0.94 1.09 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 90 P 0.00 4.31 0.00 2.17 2.14 0.00 3.62 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.18 0.00 91 N 8.14 4.38 0.00 2.97 3.10 0.00 0.00 6.25 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 92 E 8.16 4.09 0.00 2.19 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 2.43 2.39 0.00 93 V 7.97 3.65 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 1.14 0.00 0.00 1.02 0.00 0.00 94 D 8.21 4.52 0.00 2.81 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 95 A 8.10 4.25 1.48 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 96 A 8.13 4.51 1.54 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 0.00 0.00 97 F 8.83 5.11 0.00 3.04 3.10 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 0.00 98 P 0.00 4.54 0.00 2.08 1.98 0.00 4.21 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.53 0.00 99 L 8.57 4.54 0.00 1.76 1.89 1.02 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 100 E 7.67 4.72 0.00 1.78 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 0.00 2.20 2.26 0.00 101 R 7.99 2.00 0.00 1.35 1.44 0.00 3.14 0.00 0.00 3.09 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.10 0.00 102 P 0.00 4.01 0.00 0.49 0.66 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 103 D 7.69 4.65 0.00 2.69 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 0.00 104 W 7.69 4.32 0.00 3.34 3.03 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 0.00 0.00 0.00 105 D 8.64 4.68 0.00 2.58 2.48 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 0.00 106 Y 8.08 4.46 0.00 3.11 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 0.00 107 T 8.21 4.38 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 1.11 0.00 0.00 108 T 7.72 4.69 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 1.19 0.00 0.00 109 Q 8.55 3.96 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.94 0.00 0.00 0.00 0.00 0.00 2.41 2.49 0.00 110 R 7.99 3.96 0.00 1.89 1.96 0.00 3.19 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 111 G 8.08 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 R 8.14 3.99 0.00 1.88 2.01 0.00 3.19 0.00 0.00 3.42 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.98 0.00 113 N 8.52 4.27 0.00 2.62 2.74 0.00 0.00 7.03 7.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 H 7.83 3.64 0.00 2.31 1.31 0.00 5.62 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 L 7.47 3.95 0.00 1.94 1.84 1.29 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 116 V 7.83 3.62 2.18 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 0.94 0.00 0.00 0.97 0.00 0.00 117 L 7.96 4.10 0.00 1.77 1.83 0.96 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 118 Y 8.28 4.32 0.00 3.57 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 0.00 119 R 8.43 4.02 0.00 2.14 2.03 0.00 3.25 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 2.04 0.00 120 Q 8.16 4.01 0.00 2.33 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.55 0.00 121 L 8.20 3.96 0.00 1.97 1.48 1.15 0.37 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 0.00 122 L 8.00 3.81 0.00 1.61 1.86 0.93 1.26 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 0.00 123 L 7.79 4.04 0.00 1.65 1.86 0.91 1.02 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 0.00 124 A 7.49 4.52 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 0.00 125 G 7.99 3.71 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 0.00 0.00 0.00 *127 Q 8.00 4.32 0.00 2.30 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.65 6.86 0.00 0.00 0.00 0.00 0.00 2.35 2.52 0.00 128 N 8.38 4.39 0.00 2.68 2.86 0.00 0.00 7.08 7.78 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 0.00 129 A 8.42 4.19 1.47 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 0.00 130 G 8.20 3.55 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 0.00 0.00 0.00 131 R 8.02 4.04 0.00 1.97 1.85 0.00 3.34 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 1.92 1.71 0.00 * Residues marked with a * may have inaccurate shift predictions.