NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.7987 8.3544 109.7364 44.9064 0.0000 174.4664 2 S 4.2314 7.7780 109.0003 57.3850 64.1117 173.1329 3 S 4.7060 8.6628 122.7008 57.3199 67.6881 174.4278 4 G 4.0148 8.0419 110.4988 42.8684 0.0000 172.2352 5 S 4.0410 8.5898 120.0232 60.7454 62.8413 175.3034 6 S 3.7478 9.0489 111.5770 59.6848 61.6820 171.3765 7 G 4.2737 6.4831 110.1896 44.3433 0.0000 177.7841 8 M 4.6090 8.5436 120.5843 53.8005 35.6539 174.0075 9 A 4.3103 8.4244 125.4671 51.3578 19.9136 176.5143 10 A 4.6064 7.9847 121.9623 50.8728 21.4070 177.1867 11 G 4.3591 8.2953 111.1031 44.3591 0.0000 172.5126 12 A 4.3994 7.4151 117.7431 51.4001 22.3074 175.5468 13 A 4.8410 8.2520 122.9200 50.8045 22.6644 175.2802 14 E 4.5563 8.4692 116.9062 55.4288 33.3190 175.0929 15 A 4.6627 8.5070 125.5009 50.1636 21.8961 175.0063 16 A 4.6790 8.3581 121.4673 50.3942 20.8946 175.9179 17 V 4.4036 8.4522 122.1799 61.1946 34.1031 175.5067 18 A 4.7681 8.5232 129.9330 52.0072 19.5179 175.6902 19 A 4.7211 7.7371 121.8770 51.1080 21.9597 176.9003 20 V 4.2256 8.0592 120.5256 62.4548 32.3021 175.8438 21 E 4.2410 9.2512 128.2316 56.2508 31.0038 175.5830 22 E 4.8740 8.6684 124.0958 54.7817 30.9929 175.1275 23 V 4.6477 8.5212 129.0194 60.5752 32.9136 176.3199 24 G 4.3659 8.3567 116.8190 44.4037 0.0000 172.4720 25 S 4.6020 7.6193 111.4671 55.9159 66.5137 175.5471 26 A 4.2283 8.5857 126.0107 55.2300 18.1479 180.2493 27 G 3.6345 8.1450 103.8520 48.0476 0.0000 175.2481 28 Q 3.9753 7.7020 120.9363 59.0064 28.9990 178.0885 29 F 4.2857 7.9459 121.0383 61.4764 39.2803 176.6478 30 E 3.3827 8.5024 118.0580 59.2754 29.5125 179.2164 31 E 3.9649 8.3357 119.3768 59.1546 29.8730 178.2300 32 L 3.8997 8.3770 120.7120 58.4335 41.8142 178.9576 33 L 3.7148 7.5450 118.0859 57.9105 41.7912 179.6732 34 R 3.9993 7.6959 117.1673 59.4006 29.8601 178.5803 35 L 3.9367 7.8896 116.7107 57.8146 41.9893 179.4970 36 K 4.3762 8.4819 117.1196 56.8455 32.8516 179.1447 37 A 4.2082 8.2033 123.8749 55.4293 18.8683 181.0726 38 K 3.8908 8.1656 113.8017 59.5550 32.1946 177.8355 39 S 4.3744 7.7698 111.0316 57.6713 64.4532 172.1833 40 L 4.5266 7.7954 120.0266 53.7414 43.1461 174.9802 41 L 4.8856 8.3450 129.4454 53.8652 44.1425 175.3579 42 V 4.0518 8.8356 126.1256 61.1496 34.0994 174.6386 43 V 4.4577 8.5972 130.2122 61.9855 32.4396 173.8001 44 H 4.9220 8.7228 128.8855 54.5099 32.2693 173.7739 45 F 4.8326 8.8550 125.1825 56.0312 39.0786 174.6709 46 W 4.9255 8.3023 121.7868 54.4177 30.8111 175.2320 47 A 4.3009 8.0575 123.7400 49.4772 21.1732 175.0637 48 P 4.7709 0.0000 0.0000 63.6097 31.7502 176.2908 49 W 4.5560 7.3051 114.7359 58.0224 29.6157 176.3357 50 A 3.6870 5.8000 123.5767 50.8344 18.0069 176.3933 51 P 4.3166 0.0000 0.0000 65.7803 32.2659 178.6581 52 Q 3.9693 8.2619 117.9380 59.2761 28.7297 178.6371 53 C 4.1988 7.5370 116.7757 62.8027 27.8929 175.3743 54 A 4.0202 8.2626 123.7288 55.2079 17.8266 179.4713 55 Q 4.2362 7.7719 115.3463 59.0318 28.4743 178.4217 56 M 4.0556 8.0921 120.6541 58.1699 31.7989 178.3953 57 N 4.3428 8.0515 116.8824 56.6259 39.2890 176.8267 58 E 3.9052 7.8402 120.0826 59.3594 29.6611 179.3836 59 V 4.0375 7.8341 119.6213 65.6619 31.4498 177.6352 60 M 3.7219 7.7341 117.1124 58.6932 31.6311 178.4339 61 A 3.7782 7.1693 119.2007 55.5204 18.8751 179.0202 62 E 3.8992 7.6876 115.6455 59.5366 29.6049 179.3538 63 L 3.7724 7.6108 117.7194 58.2269 41.5787 179.5086 64 A 3.9576 6.9944 119.2406 55.4268 18.2282 179.6924 65 K 4.0434 8.0712 116.1151 59.5664 32.2896 178.8703 66 E 4.2753 8.0473 117.7108 57.8008 30.5141 177.1157 67 L 4.6352 8.3237 122.0236 52.1368 41.5793 175.1232 68 P 4.4442 0.0000 0.0000 64.5226 30.7873 177.6612 69 Q 4.5129 8.0802 117.0048 55.8256 28.8450 174.5749 70 V 4.6323 7.4925 117.1568 61.6289 34.8327 175.0202 71 S 4.7554 8.9749 121.3281 56.8993 65.7002 173.2256 72 F 4.9769 9.0488 124.4753 55.9599 40.9087 175.1516 73 V 4.9333 8.9320 118.4180 59.1776 34.9186 174.9049 74 K 5.0365 9.1953 125.3509 55.0693 34.7815 175.0191 75 L 5.3564 8.2826 125.5128 52.2148 45.6889 175.0322 76 E 3.8152 8.5496 124.0931 55.4311 29.9526 176.8442 77 A 4.1941 7.7875 129.5810 54.9080 18.6321 178.9217 78 E 4.2187 8.0457 114.5322 58.8285 29.7908 179.2249 79 G 3.8191 7.7820 105.1174 46.1199 0.0000 173.7644 80 V 4.3583 8.1320 122.2136 59.4521 31.2963 173.7522 81 P 4.5126 0.0000 0.0000 63.6407 31.2681 177.9218 82 E 3.9396 7.9975 120.0840 59.5184 29.8415 178.4756 83 V 3.7248 7.7569 117.7183 66.1716 31.5211 177.7527 84 S 4.3683 7.9270 114.3418 61.8652 62.6513 176.6773 85 E 4.0052 8.0755 121.1600 59.3748 29.0634 178.7507 86 K 3.7245 7.3394 117.7741 60.3184 32.3082 177.8144 87 Y 4.2597 7.9678 113.7951 57.8966 38.4865 175.2128 88 E 3.7764 8.0276 118.4812 57.3234 27.4168 176.2383 89 I 3.8537 7.9614 120.9119 60.6660 35.8623 176.7457 90 S 4.7731 7.8369 124.9315 56.7445 62.9500 174.0696 91 S 4.7296 7.4239 112.0914 57.6152 66.7477 174.8131 92 V 4.5325 7.9589 116.1813 58.8103 35.3008 173.1320 93 P 4.6288 0.0000 0.0000 63.1164 33.2458 175.3591 94 T 4.8939 7.8560 115.3233 62.8313 72.9513 172.6222 95 F 5.2511 9.4744 125.7215 55.6041 42.2353 174.7699 96 L 4.6459 8.6392 122.5345 52.8255 45.0086 175.8936 97 F 4.7313 8.7958 124.4539 56.8009 39.9613 175.0279 98 F 5.0606 8.9309 124.1269 55.6873 41.0388 175.1264 99 K 4.5348 8.5454 123.7283 54.6968 34.8570 176.2558 100 N 4.0360 9.2662 124.9184 54.7801 37.6837 173.5984 101 S 3.7519 8.5247 106.0040 58.4054 61.7057 172.1060 102 Q 4.4259 8.0483 120.6054 55.6307 31.6222 174.3671 103 K 4.1754 9.2142 125.0109 57.2728 32.4312 175.9332 104 I 4.5542 8.2372 118.3227 61.0849 39.9030 174.6224 105 D 4.7583 7.7375 120.6601 53.3757 45.0698 173.6296 106 R 5.1939 8.3031 119.3877 55.3572 33.2522 173.3173 107 L 4.8786 9.2889 128.6808 53.4320 44.5202 174.1546 108 D 5.0922 9.1618 126.1062 53.7922 42.9181 176.7681 109 G 3.9007 8.6252 110.6020 45.4908 0.0000 173.6277 110 A 4.2821 8.1045 123.1592 51.6912 17.0545 176.6866 111 H 4.8071 8.5272 118.2457 54.2952 31.1072 174.8027 112 A 4.0096 8.6657 127.2853 54.5401 18.4418 177.3777 113 P 4.1467 0.0000 0.0000 66.1475 31.5883 177.8411 114 E 3.8601 8.3299 119.4436 58.9526 29.1704 178.3725 115 L 3.9017 7.6320 119.2695 58.1727 42.2018 178.6491 116 T 3.9013 7.5391 115.0492 67.0548 68.4917 175.9382 117 K 3.7588 8.0132 119.6264 59.8719 32.1408 179.1251 118 K 3.6292 7.8009 117.9370 59.5326 32.0791 179.1967 119 V 3.8072 8.1938 118.6391 66.4749 31.4114 177.9407 120 Q 3.9537 8.6915 117.5058 59.2315 28.4335 178.4444 121 R 3.7364 7.9497 118.1455 60.3633 30.2598 177.7483 122 H 4.2792 8.3178 114.8119 59.3129 28.7022 177.9509 123 A 3.9525 8.3620 121.4102 55.3377 18.2415 179.1065 124 S 4.2244 7.8939 110.7466 60.7097 62.5260 174.6562 125 S 3.9680 7.4777 117.6156 59.3459 63.0694 174.9623 126 G 3.6719 8.4513 114.2778 44.0660 0.0000 170.3825 127 P 4.4434 0.0000 0.0000 62.7338 32.1193 175.2353 128 S 3.7098 8.6500 110.0078 58.4931 61.8813 172.7184 129 S 3.9880 8.1862 114.3282 60.2049 63.2458 175.2813 130 G 3.4601 8.9285 111.9888 45.1996 0.0000 173.1797 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 G 8.35 3.80 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 0.00 0.00 0.00 2 S 7.78 4.23 0.00 3.86 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.66 4.71 0.00 3.84 3.69 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 4 G 8.04 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 0.00 0.00 0.00 0.00 5 S 8.59 4.04 0.00 3.84 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 6 S 9.05 3.75 0.00 4.12 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 7 G 6.48 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 8 M 8.54 4.61 0.00 1.97 1.93 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.53 0.00 9 A 8.42 4.31 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 10 A 7.98 4.61 1.22 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 11 G 8.30 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 0.00 0.00 0.00 0.00 12 A 7.42 4.40 1.20 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 13 A 8.25 4.84 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 14 E 8.47 4.56 0.00 1.92 1.82 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 2.22 2.26 0.00 15 A 8.51 4.66 1.22 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 16 A 8.36 4.68 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 17 V 8.45 4.40 2.10 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 0.83 0.00 0.00 0.94 0.00 0.00 18 A 8.52 4.77 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 19 A 7.74 4.72 1.20 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 20 V 8.06 4.23 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 0.93 0.00 0.00 0.87 0.00 0.00 21 E 9.25 4.24 0.00 1.99 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 0.00 2.35 2.30 0.00 22 E 8.67 4.87 0.00 1.89 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.40 0.00 23 V 8.52 4.65 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 1.24 0.00 0.00 0.93 0.00 0.00 24 G 8.36 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 S 7.62 4.60 0.00 4.03 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 26 A 8.59 4.23 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.14 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 28 Q 7.70 3.98 0.00 2.21 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.78 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 29 F 7.95 4.29 0.00 3.03 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 30 E 8.50 3.38 0.00 1.91 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 2.56 0.00 31 E 8.34 3.96 0.00 2.05 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 2.28 2.28 0.00 32 L 8.38 3.90 0.00 1.93 1.77 0.99 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 33 L 7.55 3.71 0.00 1.52 1.51 0.26 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 34 R 7.70 4.00 0.00 1.96 1.94 0.00 3.11 0.00 0.00 3.12 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 35 L 7.89 3.94 0.00 1.75 1.74 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.48 4.38 0.00 1.71 1.84 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.55 7.81 37 A 8.20 4.21 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.17 3.89 0.00 1.77 1.90 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.44 7.81 39 S 7.77 4.37 0.00 4.12 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 L 7.80 4.53 0.00 1.79 1.59 1.03 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 41 L 8.35 4.89 0.00 1.87 1.84 0.97 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 42 V 8.84 4.05 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 0.86 0.00 0.00 0.47 0.00 0.00 43 V 8.60 4.46 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 0.19 0.00 0.00 0.92 0.00 0.00 44 H 8.72 4.92 0.00 3.22 3.09 0.00 5.64 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 45 F 8.86 4.83 0.00 2.89 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 46 W 8.30 4.93 0.00 3.31 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 47 A 8.06 4.30 0.35 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 48 P 0.00 4.77 0.00 2.31 2.32 0.00 3.60 0.00 0.00 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.90 0.00 49 W 7.31 4.56 0.00 3.52 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 50 A 5.80 3.69 0.11 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 0.00 0.00 51 P 0.00 4.32 0.00 2.23 2.34 0.00 3.68 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 2.07 2.02 0.00 52 Q 8.26 3.97 0.00 2.09 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.90 0.00 0.00 0.00 0.00 0.00 2.45 2.53 0.00 53 C 7.54 4.20 0.00 2.98 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 54 A 8.26 4.02 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 55 Q 7.77 4.24 0.00 2.29 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.79 0.00 0.00 0.00 0.00 0.00 2.63 2.33 0.00 56 M 8.09 4.06 0.00 2.22 2.34 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 2.75 2.79 0.00 57 N 8.05 4.34 0.00 2.91 3.01 0.00 0.00 6.98 7.04 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 58 E 7.84 3.91 0.00 2.14 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 2.29 2.28 0.00 59 V 7.83 4.04 2.21 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 1.36 0.00 0.00 0.99 0.00 0.00 60 M 7.73 3.72 0.00 2.01 2.26 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.85 0.00 61 A 7.17 3.78 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 62 E 7.69 3.90 0.00 2.28 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 2.28 2.35 0.00 63 L 7.61 3.77 0.00 1.36 1.63 0.96 0.65 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 64 A 6.99 3.96 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 65 K 8.07 4.04 0.00 1.76 1.85 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.65 7.81 66 E 8.05 4.28 0.00 1.93 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 2.30 2.49 0.00 67 L 8.32 4.64 0.00 1.86 1.69 1.07 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 68 P 0.00 4.44 0.00 2.20 2.20 0.00 3.78 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 69 Q 8.08 4.51 0.00 2.32 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.87 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 70 V 7.49 4.63 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 0.33 0.00 0.00 1.00 0.00 0.00 71 S 8.97 4.76 0.00 3.81 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 72 F 9.05 4.98 0.00 3.00 3.02 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 73 V 8.93 4.93 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 0.86 0.00 0.00 1.00 0.00 0.00 74 K 9.20 5.04 0.00 1.82 1.90 0.00 0.63 0.00 0.00 1.32 0.00 0.00 2.37 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.49 1.43 7.81 75 L 8.28 5.36 0.00 1.41 0.89 0.70 0.37 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 76 E 8.55 3.82 0.00 1.83 1.69 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 1.47 1.92 0.00 77 A 7.79 4.19 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 E 8.05 4.22 0.00 1.90 2.00 0.00 0.00 0.00 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 2.45 0.00 79 G 7.78 3.82 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 0.00 0.00 0.00 80 V 8.13 4.36 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 1.13 0.00 0.00 0.98 0.00 0.00 81 P 0.00 4.51 0.00 2.32 2.29 0.00 3.79 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.02 0.00 82 E 8.00 3.94 0.00 2.09 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 2.39 0.00 83 V 7.76 3.72 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 1.24 0.00 0.00 1.11 0.00 0.00 84 S 7.93 4.37 0.00 3.99 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 E 8.08 4.01 0.00 2.24 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 2.34 2.46 0.00 86 K 7.34 3.72 0.00 1.75 1.91 0.00 0.86 0.00 0.00 1.27 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.10 1.35 7.81 87 Y 7.97 4.26 0.00 3.14 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 88 E 8.03 3.78 0.00 2.16 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 2.26 2.48 0.00 89 I 7.96 3.85 1.25 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.49 -0.94 0.00 0.00 90 S 7.84 4.77 0.00 3.75 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 91 S 7.42 4.73 0.00 3.80 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 92 V 7.96 4.53 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 0.69 0.00 0.00 0.67 0.00 0.00 93 P 0.00 4.63 0.00 2.12 2.22 0.00 3.88 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 2.26 1.90 0.00 94 T 7.86 4.89 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 1.17 0.00 0.00 95 F 9.47 5.25 0.00 2.86 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 96 L 8.64 4.65 0.00 1.45 0.67 0.95 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 97 F 8.80 4.73 0.00 2.95 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 98 F 8.93 5.06 0.00 3.09 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 K 8.55 4.53 0.00 1.64 1.72 0.00 1.85 0.00 0.00 1.79 0.00 0.00 2.83 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.50 7.81 100 N 9.27 4.04 0.00 2.90 2.92 0.00 0.00 7.30 7.67 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 0.00 101 S 8.52 3.75 0.00 4.13 3.99 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 0.00 102 Q 8.05 4.43 0.00 2.28 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.98 0.00 0.00 0.00 0.00 0.00 2.34 2.55 0.00 103 K 9.21 4.18 0.00 1.99 1.91 0.00 1.68 0.00 0.00 1.93 0.00 0.00 2.96 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.39 1.09 7.81 104 I 8.24 4.55 1.84 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 1.10 0.74 1.01 0.00 0.00 105 D 7.74 4.76 0.00 2.44 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 0.00 0.00 0.00 0.00 106 R 8.30 5.19 0.00 1.86 1.80 0.00 3.29 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.72 0.00 107 L 9.29 4.88 0.00 2.12 1.78 0.95 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 108 D 9.16 5.09 0.00 2.77 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 G 8.63 3.90 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 0.00 110 A 8.10 4.28 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 0.00 111 H 8.53 4.81 0.00 3.17 3.18 0.00 5.63 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 A 8.67 4.01 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 0.00 113 P 0.00 4.15 0.00 2.27 2.31 0.00 3.68 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 2.08 2.02 0.00 114 E 8.33 3.86 0.00 2.03 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 2.29 2.41 0.00 115 L 7.63 3.90 0.00 1.63 1.66 -0.69 0.48 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 0.00 116 T 7.54 3.90 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 1.22 0.00 0.00 117 K 8.01 3.76 0.00 1.95 1.82 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.70 7.81 118 K 7.80 3.63 0.00 1.94 1.23 0.00 1.87 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.27 1.33 7.81 119 V 8.19 3.81 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 1.07 0.00 0.00 1.15 0.00 0.00 120 Q 8.69 3.95 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.43 0.00 0.00 0.00 0.00 0.00 2.41 2.63 0.00 121 R 7.95 3.74 0.00 1.69 1.86 0.00 2.96 0.00 0.00 2.73 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.58 0.00 122 H 8.32 4.28 0.00 3.22 3.28 0.00 5.71 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 A 8.36 3.95 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.89 4.22 0.00 3.89 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 0.00 125 S 7.48 3.97 0.00 3.93 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 0.00 126 G 8.45 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 0.00 127 P 0.00 4.44 0.00 2.20 2.08 0.00 3.93 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 2.00 1.96 0.00 128 S 8.65 3.71 0.00 4.10 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 0.00 129 S 8.19 3.99 0.00 3.88 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 0.00 130 G 8.93 3.46 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 0.00