NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4405 8.3193 115.2935 58.5317 63.6037 172.9968 3 T 4.5888 7.9119 115.9477 57.9872 73.2374 172.3842 4 P 4.2234 0.0000 0.0000 65.9001 31.6005 179.6434 5 A 4.2253 8.1092 118.5448 55.5918 18.2941 179.6703 6 R 3.9122 7.8659 115.9009 59.5657 30.1330 179.5858 7 R 3.9771 8.3952 118.1415 59.1498 29.9725 179.0030 8 R 3.9560 8.2749 118.6092 59.6122 30.1268 178.6097 9 L 4.0553 8.3438 118.8571 58.0466 41.5512 179.4626 10 M 4.3070 8.3266 118.8664 58.5610 31.8156 179.0307 11 R 4.0679 8.2857 118.3082 59.3639 30.0895 178.8701 12 D 4.5612 8.6037 119.0176 57.1642 40.6700 178.5981 13 F 4.8938 8.5849 121.5732 61.1477 39.4330 177.1302 14 K 3.7129 8.2620 119.4298 59.5981 31.8647 178.6857 15 R 3.9547 7.9405 118.5900 59.7929 29.7370 178.3691 16 M 4.2732 7.8325 117.7451 58.0097 32.0981 178.5861 17 K 4.0724 8.1273 118.5304 59.4138 32.2379 178.0552 18 E 4.2954 8.1567 117.1472 56.6934 31.0318 176.8134 19 D 4.7119 7.9101 120.3061 53.2900 40.9222 177.4653 20 A 4.1780 7.6945 122.3891 51.4340 19.4462 176.3600 21 P 4.4517 0.0000 0.0000 61.7376 32.1470 174.2066 22 P 4.2463 0.0000 0.0000 64.0984 31.7638 177.3812 23 G 4.0804 9.1983 110.8754 45.3101 0.0000 172.8402 24 V 5.2074 7.3974 112.6302 59.5866 34.8421 175.3733 25 S 4.9346 9.0232 117.6462 57.2523 66.6068 172.6536 26 A 5.3134 8.4603 121.7645 51.6861 22.3185 175.5818 27 S 3.8869 8.7697 111.2201 56.5350 66.4543 173.6546 28 P 4.0177 0.0000 0.0000 61.5645 32.2137 176.0113 29 L 4.0233 8.0237 120.9612 53.8765 42.0187 177.0014 30 P 4.2381 0.0000 0.0000 64.9407 31.0974 176.4906 31 D 4.7393 7.8994 115.4355 52.8365 40.7147 175.4952 32 N 4.7065 7.9147 119.4814 52.0751 40.1910 174.8097 33 V 3.7285 8.2958 125.3369 63.5288 32.0498 176.8991 34 M 4.4876 8.5233 120.5577 56.6325 33.4040 175.8255 35 V 5.0768 7.9633 119.9332 60.8566 34.4203 174.3697 36 W 5.3147 9.7477 127.4583 55.0288 33.2194 174.0529 37 N 5.5432 9.0014 119.3416 51.8328 41.1102 173.7111 38 A 5.2527 8.6426 122.2799 51.2790 23.8667 174.5762 39 M 5.2966 9.2327 118.0334 54.5310 36.6076 173.4504 40 I 5.1123 9.1333 126.8369 59.5422 40.3460 174.7514 41 I 4.4408 8.9656 129.4861 60.4941 37.9542 176.0695 42 G 3.7619 9.2528 115.1631 46.1356 0.0000 171.2400 43 P 4.6824 0.0000 0.0000 64.7953 32.6275 179.2827 44 A 3.3886 8.1042 115.9341 53.4258 19.6984 178.9845 45 D 4.8587 9.2357 119.5432 54.1420 41.6592 175.9315 46 T 4.8595 7.4261 108.7510 58.9460 71.9468 173.2516 47 P 4.4012 0.0000 0.0000 64.5980 31.5333 176.6050 48 Y 4.3339 7.8782 116.5937 58.9948 38.3952 174.5452 49 E 4.0639 7.8220 119.5781 57.5533 29.4366 176.5386 50 D 4.6701 9.2930 125.6198 54.6629 39.5060 174.3277 51 G 3.2223 8.0954 108.1155 46.2798 0.0000 173.8387 52 T 4.6641 8.0719 115.4397 60.2037 68.0435 172.2011 53 F 4.8886 8.6290 127.8121 57.5615 40.5869 174.5289 54 R 5.1854 9.3054 121.6842 54.9672 32.0232 175.4604 55 L 5.1778 8.9306 120.7025 52.8277 46.8039 174.9009 56 L 5.1412 8.8582 121.3193 53.4872 45.3612 174.8289 57 L 4.9889 9.0155 126.2447 52.8274 44.8358 175.1942 58 E 5.0309 8.7636 123.3385 54.7173 32.3953 175.7696 59 F 4.9066 9.2770 124.2094 56.0128 42.0577 174.0637 60 D 4.8254 8.2092 117.8050 52.1623 42.1865 175.5482 61 E 4.3253 8.7709 116.5737 57.9261 29.5277 177.5611 62 E 4.3962 8.5955 118.8184 56.6012 30.3316 175.7092 63 Y 4.8195 8.1850 121.0961 56.6946 39.5923 173.9356 64 P 4.2087 0.0000 0.0000 62.6321 31.7110 177.4245 65 N 4.5701 8.3100 118.5107 55.3787 38.3661 175.3074 66 K 4.4227 7.8537 119.1669 53.3308 34.6082 173.6800 67 P 2.9700 0.0000 0.0000 61.2779 31.8801 173.6837 68 P 4.2720 0.0000 0.0000 61.8432 33.0349 174.7075 69 H 4.3814 8.7088 121.3806 55.6158 30.7988 173.9540 70 V 4.7354 7.9634 125.5798 60.8496 33.8447 174.5218 71 K 4.7765 8.2773 124.8668 55.6118 36.1598 175.1754 72 F 4.6996 9.2905 121.6597 57.2409 39.7232 176.8706 73 L 4.4327 8.9241 124.9606 56.3184 42.2987 177.8004 74 S 4.5515 8.1057 113.6043 57.5891 63.6827 173.3914 75 E 4.1866 8.7069 124.1180 56.5374 29.9980 176.0652 76 M 4.8485 8.4106 124.3578 53.6433 35.6500 175.4602 77 F 4.7531 8.3849 122.2149 56.5365 40.2619 172.4711 78 H 4.8240 7.6928 123.4122 53.1498 32.9746 172.4823 79 P 4.2010 0.0000 0.0000 65.3476 31.4341 177.3354 80 N 4.3726 8.0796 113.2422 52.9156 39.0885 174.1288 81 V 4.5079 7.2031 119.0688 60.7933 32.7298 175.1913 82 Y 4.3078 8.8186 125.6785 57.4024 38.7847 176.4607 83 A 4.1526 8.6771 122.9000 55.1450 18.5767 178.1083 84 N 4.6629 8.2982 111.0367 52.8958 37.8110 176.1294 85 G 4.1977 7.9917 107.3219 46.6180 0.0000 173.7433 86 E 4.5035 8.9626 120.0308 56.5389 30.7872 175.8312 87 I 4.8709 8.3198 122.4734 59.8608 39.8288 175.1541 88 C 4.5865 9.1040 127.9104 58.2163 31.8714 172.9566 89 L 4.3864 8.5875 128.3039 53.5513 44.5719 175.6413 90 D 4.4336 9.1191 126.7968 56.7665 39.1662 178.8864 91 I 3.5418 7.9671 119.9313 64.1759 37.0971 177.7145 92 L 4.3323 7.9255 117.8866 56.2357 43.2155 177.3729 93 Q 4.6180 7.6612 115.3939 55.3365 28.6363 178.9834 94 N 4.3594 9.2467 125.8325 56.6373 36.8361 175.3750 95 R 4.4946 7.8352 115.7387 55.5105 30.3153 176.0319 96 W 4.3135 8.1939 128.1621 56.8495 31.4876 175.5958 97 T 4.5778 7.0345 113.0023 58.9936 71.1371 173.0566 98 P 5.0618 0.0000 0.0000 64.3239 31.4717 177.5036 99 T 3.9456 6.8816 107.6812 63.4575 69.1787 175.0216 100 Y 3.9328 7.0412 119.9928 57.8732 38.3589 174.7198 101 D 5.3842 9.4653 123.3959 50.3323 44.1624 176.3723 102 V 3.5734 8.3515 118.1561 66.3831 31.1574 177.3042 103 A 4.0714 8.2412 119.8453 55.6372 18.1442 179.5599 104 S 4.5231 8.1644 113.4550 61.0371 62.9764 176.7891 105 I 3.7814 8.2911 123.5740 64.3134 36.8611 178.3150 106 L 4.0458 8.4451 120.4380 58.0230 41.5834 179.7911 107 T 3.9510 8.3675 110.0591 65.0564 68.5047 176.7645 108 S 4.2006 8.1603 117.1888 61.3563 63.1066 176.4831 109 I 3.8507 7.8273 122.5111 64.0184 36.8569 178.0857 110 Q 4.3299 8.4285 120.8882 59.6383 28.9309 178.5738 111 S 4.2123 8.5733 116.4070 61.7856 62.9152 176.7587 112 L 3.9663 7.6254 121.0487 57.6677 40.9807 179.5257 113 F 4.0917 7.9549 117.1983 59.8913 38.7486 176.1562 114 N 5.0373 7.7321 114.4372 52.1661 40.1218 175.5444 115 D 4.6757 7.2989 114.6096 53.7894 43.4971 174.9103 116 P 4.2577 0.0000 0.0000 62.6418 31.7368 177.1486 117 N 4.9325 7.6291 111.5936 51.7033 38.5805 173.4071 118 P 4.3959 0.0000 0.0000 62.2562 32.9417 177.0963 119 A 3.9622 8.5781 123.2796 54.8224 18.4707 178.6700 120 S 4.5459 7.5439 115.4025 55.3531 63.3508 171.9116 121 P 4.2862 0.0000 0.0000 62.9447 31.7461 176.7116 122 A 3.7554 8.9720 125.4540 53.1976 19.1439 177.2345 123 N 4.6938 7.2635 115.0026 51.0732 38.8231 174.5369 124 V 3.5317 8.0521 123.4423 65.4533 31.8016 176.5541 125 E 3.9521 8.2505 118.2651 59.4887 29.4748 178.6104 126 A 3.7223 8.3339 120.5606 54.7260 18.3357 179.5765 127 A 3.8273 7.6169 119.3428 55.3822 18.5388 179.8398 128 T 3.8058 8.0009 108.3437 65.2098 68.8231 176.3898 129 L 4.1538 8.1340 122.6336 57.2814 41.4550 179.3287 130 F 3.8013 8.0235 119.5333 60.9616 39.2362 177.2025 131 K 3.8377 7.5450 116.6586 59.5772 32.1370 178.8767 132 D 4.3805 8.3349 118.0789 56.3279 42.5555 177.0679 133 H 4.8849 7.9448 116.0176 53.4340 28.7205 174.8786 134 K 3.9773 7.9417 123.0841 59.4094 32.3278 177.8134 135 S 4.1655 8.0376 114.2491 61.6081 63.0788 176.4097 136 Q 3.9722 8.2352 121.9700 58.4296 28.4833 177.6330 137 Y 4.3244 8.2272 120.2149 61.0542 38.8241 178.3792 138 V 3.2081 7.8724 118.6773 65.7269 31.7172 177.7361 139 K 3.7922 7.8097 119.2029 59.5234 31.8753 178.7498 140 R 3.7239 8.3112 119.1642 59.2908 30.0221 178.6071 141 V 3.4248 7.8564 118.3809 65.8711 31.3661 178.1356 142 K 3.8224 8.2874 118.5894 59.3539 31.7934 179.1082 143 E 3.8867 7.7935 118.7478 59.5440 29.3569 179.4321 144 T 4.0426 7.5876 109.8253 64.3576 68.7834 177.1598 145 V 3.2092 7.2446 120.4435 65.6422 31.6655 177.6169 146 E 3.4686 7.6768 118.3035 59.0912 29.2416 179.0651 147 K 3.8547 7.8800 119.9129 59.6160 31.9210 178.8330 148 S 4.2105 7.7322 113.5077 60.7903 63.3204 176.1496 149 W 4.6010 8.1939 123.2988 59.5962 28.7770 178.4080 150 E 4.1833 8.2805 118.1708 59.2571 29.0065 178.8214 151 D 4.4342 7.9938 118.9075 57.7010 40.7236 178.6954 152 D 4.4665 7.6021 116.7345 57.4094 40.8958 178.1512 153 M 4.2770 7.6436 117.3497 56.7395 32.0945 176.6688 154 D 4.6648 7.6831 123.8463 54.3525 41.3868 175.8884 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 2 S 8.32 4.44 0.00 3.87 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 3 T 7.91 4.59 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 1.28 0.00 0.00 4 P 0.00 4.22 0.00 2.21 2.18 0.00 3.64 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.20 0.00 5 A 8.11 4.23 1.56 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 6 R 7.87 3.91 0.00 1.96 2.03 0.00 3.30 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 7 R 8.40 3.98 0.00 2.02 2.02 0.00 3.16 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.82 0.00 8 R 8.27 3.96 0.00 2.13 2.15 0.00 3.45 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 9 L 8.34 4.06 0.00 1.99 1.88 0.55 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 10 M 8.33 4.31 0.00 2.13 2.31 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 3.02 0.00 11 R 8.29 4.07 0.00 2.10 2.05 0.00 3.16 0.00 0.00 3.35 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 12 D 8.60 4.56 0.00 3.11 2.80 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 0.00 0.00 0.00 13 F 8.58 4.89 0.00 3.30 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 14 K 8.26 3.71 0.00 1.86 1.99 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.56 7.81 15 R 7.94 3.95 0.00 1.99 2.17 0.00 3.23 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.81 0.00 16 M 7.83 4.27 0.00 2.25 2.63 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.04 3.20 0.00 17 K 8.13 4.07 0.00 1.73 1.69 0.00 0.91 0.00 0.00 1.33 0.00 0.00 2.67 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.11 0.61 7.81 18 E 8.16 4.30 0.00 1.93 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 2.25 2.24 0.00 19 D 7.91 4.71 0.00 2.57 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 A 7.69 4.18 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 21 P 0.00 4.45 0.00 2.26 2.04 0.00 3.69 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.17 0.00 22 P 0.00 4.25 0.00 2.08 2.03 0.00 3.76 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 23 G 9.20 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 24 V 7.40 5.21 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 0.92 0.00 0.00 1.06 0.00 0.00 25 S 9.02 4.93 0.00 3.94 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 26 A 8.46 5.31 1.53 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 0.00 0.00 27 S 8.77 3.89 0.00 3.59 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 28 P 0.00 4.02 0.00 1.33 0.49 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 0.69 0.44 0.00 29 L 8.02 4.02 0.00 1.80 1.56 0.91 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.24 0.00 2.14 2.17 0.00 3.64 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 1.95 1.93 0.00 31 D 7.90 4.74 0.00 2.75 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 32 N 7.91 4.71 0.00 2.70 2.67 0.00 0.00 6.84 7.86 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 33 V 8.30 3.73 2.06 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 0.82 0.00 0.00 0.96 0.00 0.00 34 M 8.52 4.49 0.00 2.22 2.38 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.68 0.00 35 V 7.96 5.08 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 1.04 0.00 0.00 0.99 0.00 0.00 36 W 9.75 5.31 0.00 3.24 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 37 N 9.00 5.54 0.00 2.72 2.73 0.00 0.00 6.77 6.64 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 38 A 8.64 5.25 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 M 9.23 5.30 0.00 2.09 1.93 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.86 0.00 40 I 9.13 5.11 2.25 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.15 1.12 0.00 0.00 41 I 8.97 4.44 1.92 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.38 0.96 0.00 0.00 42 G 9.25 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 43 P 0.00 4.68 0.00 2.38 2.29 0.00 3.29 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 2.19 2.15 0.00 44 A 8.10 3.39 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 D 9.24 4.86 0.00 2.74 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 46 T 7.43 4.86 4.59 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 1.47 0.00 0.00 47 P 0.00 4.40 0.00 1.81 2.10 0.00 3.91 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 1.45 1.96 0.00 48 Y 7.88 4.33 0.00 3.05 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 49 E 7.82 4.06 0.00 2.35 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 2.38 0.00 50 D 9.29 4.67 0.00 3.13 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 51 G 8.10 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.07 4.66 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 1.30 0.00 0.00 53 F 8.63 4.89 0.00 3.49 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 54 R 9.31 5.19 0.00 1.96 2.21 0.00 2.77 0.00 0.00 3.23 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.71 0.00 55 L 8.93 5.18 0.00 1.45 1.42 0.87 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 56 L 8.86 5.14 0.00 1.58 1.40 0.91 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 57 L 9.02 4.99 0.00 1.54 0.87 0.87 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.76 5.03 0.00 1.76 1.78 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 2.19 2.17 0.00 59 F 9.28 4.91 0.00 2.68 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 60 D 8.21 4.83 0.00 2.86 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 61 E 8.77 4.33 0.00 2.02 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 2.31 0.00 62 E 8.60 4.40 0.00 2.23 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.26 0.00 63 Y 8.18 4.82 0.00 3.24 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 64 P 0.00 4.21 0.00 2.21 1.36 0.00 3.65 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 1.92 1.78 0.00 65 N 8.31 4.57 0.00 2.95 3.00 0.00 0.00 6.59 7.05 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 66 K 7.85 4.42 0.00 1.72 1.61 0.00 1.83 0.00 0.00 2.15 0.00 0.00 2.83 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.22 1.25 7.81 67 P 0.00 2.97 0.00 1.40 0.49 0.00 3.43 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 68 P 0.00 4.27 0.00 0.86 0.49 0.00 3.05 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.24 0.00 69 H 8.71 4.38 0.00 3.08 3.07 0.00 5.72 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 V 7.96 4.74 1.87 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 0.65 0.00 0.00 0.70 0.00 0.00 71 K 8.28 4.78 0.00 1.86 1.68 0.00 1.38 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.22 1.41 7.81 72 F 9.29 4.70 0.00 3.20 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.92 4.43 0.00 1.67 1.79 0.96 0.93 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 74 S 8.11 4.55 0.00 4.26 4.05 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 75 E 8.71 4.19 0.00 1.99 1.93 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 2.35 2.38 0.00 76 M 8.41 4.85 0.00 1.58 1.68 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 2.47 0.00 77 F 8.38 4.75 0.00 2.85 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 78 H 7.69 4.82 0.00 2.95 2.70 0.00 5.98 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 P 0.00 4.20 0.00 1.94 1.88 0.00 3.03 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.82 0.00 80 N 8.08 4.37 0.00 2.61 2.66 0.00 0.00 6.61 7.68 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 81 V 7.20 4.51 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 0.77 0.00 0.00 0.54 0.00 0.00 82 Y 8.82 4.31 0.00 3.14 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 A 8.68 4.15 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 84 N 8.30 4.66 0.00 2.84 2.94 0.00 0.00 6.21 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 85 G 7.99 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 E 8.96 4.50 0.00 2.02 1.93 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 2.36 2.43 0.00 87 I 8.32 4.87 1.87 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.87 0.87 0.00 0.00 88 C 9.10 4.59 0.00 2.81 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 89 L 8.59 4.39 0.00 1.69 1.42 0.88 1.00 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 90 D 9.12 4.43 0.00 2.86 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 91 I 7.97 3.54 1.79 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.04 0.56 0.00 0.00 92 L 7.93 4.33 0.00 1.81 1.65 0.91 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 93 Q 7.66 4.62 0.00 2.11 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.75 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 94 N 9.25 4.36 0.00 2.85 2.99 0.00 0.00 5.85 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 95 R 7.84 4.49 0.00 1.87 2.01 0.00 3.32 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 96 W 8.19 4.31 0.00 3.51 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 97 T 7.03 4.58 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 1.29 0.00 0.00 98 P 0.00 5.06 0.00 2.00 2.15 0.00 3.64 0.00 0.00 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 99 T 6.88 3.95 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 100 Y 7.04 3.93 0.00 1.63 2.56 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 0.00 101 D 9.47 5.38 0.00 3.19 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 0.00 102 V 8.35 3.57 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 1.01 0.00 0.00 0.16 0.00 0.00 103 A 8.24 4.07 1.46 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 0.00 0.00 104 S 8.16 4.52 0.00 4.18 4.17 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 0.00 105 I 8.29 3.78 2.16 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.30 0.90 0.00 0.00 106 L 8.45 4.05 0.00 1.87 1.80 1.03 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 107 T 8.37 3.95 4.31 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 1.30 0.00 0.00 108 S 8.16 4.20 0.00 4.03 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 I 7.83 3.85 2.01 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.22 0.87 0.00 0.00 110 Q 8.43 4.33 0.00 2.33 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.50 2.57 0.00 111 S 8.57 4.21 0.00 4.06 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 L 7.63 3.97 0.00 1.32 1.40 0.72 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 113 F 7.95 4.09 0.00 3.17 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 0.00 114 N 7.73 5.04 0.00 2.90 2.90 0.00 0.00 6.80 8.18 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 0.00 115 D 7.30 4.68 0.00 2.61 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 0.00 116 P 0.00 4.26 0.00 0.76 1.48 0.00 3.52 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.08 0.00 117 N 7.63 4.93 0.00 2.65 2.75 0.00 0.00 7.19 8.02 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 0.00 118 P 0.00 4.40 0.00 2.07 2.09 0.00 3.71 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 1.86 1.79 0.00 119 A 8.58 3.96 1.28 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 0.00 0.00 120 S 7.54 4.55 0.00 3.93 3.86 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 0.00 121 P 0.00 4.29 0.00 1.96 1.89 0.00 3.61 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 1.96 1.99 0.00 122 A 8.97 3.76 -0.08 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 0.00 123 N 7.26 4.69 0.00 2.76 2.54 0.00 0.00 6.85 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 0.00 124 V 8.05 3.53 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 0.97 0.00 0.00 0.91 0.00 0.00 125 E 8.25 3.95 0.00 2.16 2.23 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 2.67 2.52 0.00 126 A 8.33 3.72 0.43 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 0.00 0.00 127 A 7.62 3.83 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 0.00 128 T 8.00 3.81 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 1.26 0.00 0.00 129 L 8.13 4.15 0.00 2.26 2.11 1.03 1.03 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 0.00 130 F 8.02 3.80 0.00 2.46 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 0.00 131 K 7.54 3.84 0.00 1.83 1.75 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.79 7.81 132 D 8.33 4.38 0.00 2.57 2.47 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 0.00 133 H 7.94 4.88 0.00 3.28 3.32 0.00 5.83 0.00 0.00 0.00 0.00 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 K 7.94 3.98 0.00 1.62 1.77 0.00 1.23 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.54 1.50 7.81 135 S 8.04 4.17 0.00 4.11 4.12 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 0.00 136 Q 8.24 3.97 0.00 2.35 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 137 Y 8.23 4.32 0.00 3.26 3.27 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 0.00 138 V 7.87 3.21 2.24 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 0.81 0.00 0.00 1.11 0.00 0.00 139 K 7.81 3.79 0.00 1.97 1.88 0.00 1.64 0.00 0.00 1.53 0.00 0.00 2.82 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.35 1.39 7.81 140 R 8.31 3.72 0.00 1.53 1.41 0.00 2.75 0.00 0.00 2.93 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.84 0.00 141 V 7.86 3.42 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 -0.11 0.00 0.00 0.26 0.00 0.00 142 K 8.29 3.82 0.00 1.80 1.71 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.58 1.53 7.81 143 E 7.79 3.89 0.00 2.15 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 2.45 0.00 144 T 7.59 4.04 4.63 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 1.37 0.00 0.00 145 V 7.24 3.21 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.00 0.00 1.09 0.00 0.00 146 E 7.68 3.47 0.00 2.06 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 2.24 2.03 0.00 147 K 7.88 3.85 0.00 1.95 1.96 0.00 1.53 0.00 0.00 1.70 0.00 0.00 3.30 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.53 7.81 148 S 7.73 4.21 0.00 4.06 3.83 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 0.00 149 W 8.19 4.60 0.00 3.56 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 E 8.28 4.18 0.00 2.20 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 0.00 2.46 2.49 0.00 151 D 7.99 4.43 0.00 2.91 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 0.00 152 D 7.60 4.47 0.00 2.90 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 0.00 153 M 7.64 4.28 0.00 1.96 2.30 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.90 0.00 154 D 7.68 4.66 0.00 2.80 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