NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.7437 8.3501 109.7348 44.6197 0.0000 174.1526 2 A 4.0727 7.7518 128.7859 51.4220 16.3126 176.8232 3 L 4.4299 7.5951 116.1382 56.0121 39.3829 172.7564 4 T 4.3019 8.7338 113.3587 60.5700 71.6585 175.4521 5 E 3.8989 8.6088 121.6068 59.4406 29.3365 178.8778 6 S 4.1835 7.9210 113.0663 61.1781 63.6343 176.0409 7 Q 4.0804 8.1094 121.6515 58.8006 28.4507 178.4605 8 A 4.0068 8.3003 121.5619 54.7527 18.2335 179.5291 9 A 4.0562 7.7951 119.6999 55.0895 18.3715 179.8774 10 L 4.0216 7.8807 117.9450 57.9209 41.7309 179.7768 11 V 3.7304 7.6449 119.1759 65.1204 31.4790 177.9312 12 K 4.1924 8.2061 119.6004 59.5130 32.0895 178.6324 13 S 4.1880 7.9652 113.8455 61.6777 61.9254 176.4504 14 S 4.3794 8.3916 116.7987 61.2057 62.7732 176.2048 15 W 4.5321 9.2802 132.5859 60.3904 30.1429 177.9109 16 E 3.4361 8.2646 117.9714 59.1184 29.0219 178.6422 17 E 4.0422 8.0385 118.3295 59.3678 29.4487 179.0966 18 F 4.0436 8.1111 120.4990 61.3661 39.1946 176.4211 19 N 4.0194 7.5502 113.6100 55.0063 38.8028 175.9307 20 A 4.0440 7.0963 120.8288 53.7394 19.9685 177.4042 21 N 4.6952 7.8011 115.8527 50.9033 40.3783 174.4716 22 I 3.2079 7.5216 124.5574 64.1355 37.5135 176.3193 23 P 4.2338 0.0000 0.0000 64.8616 31.2081 178.5811 24 K 3.9457 7.6893 118.4479 59.9046 32.2435 178.5274 25 H 4.2840 8.0329 116.8797 58.9173 28.5881 178.0386 26 T 4.1542 8.0452 111.9375 65.0148 68.7777 176.3799 27 H 4.4502 8.1821 120.9896 58.6820 29.8551 177.2784 28 R 3.8569 8.2823 120.7882 59.2986 30.0126 177.8476 29 F 4.1978 8.5719 120.7766 61.8756 39.4154 177.3250 30 F 3.8018 8.0208 116.3620 60.2519 38.5256 177.8687 31 I 3.6567 7.8122 119.6112 64.4112 36.7948 178.5208 32 L 3.9038 7.9513 119.7945 57.3564 41.3188 179.6618 33 V 3.4036 7.4013 118.3619 66.1416 31.2841 178.2067 34 L 4.2582 7.5924 116.8413 57.3837 41.5215 179.0129 35 E 4.1095 8.2202 118.6153 59.1498 29.4053 178.9534 36 I 4.1461 7.3742 119.2019 63.0465 38.3878 176.6349 37 A 4.5690 8.1369 123.9743 49.0449 20.2652 174.2212 38 P 4.2711 0.0000 0.0000 66.0100 31.2651 177.8445 39 A 4.0952 8.1116 118.4416 54.6831 18.3721 178.8129 40 A 4.1582 8.1241 118.8324 53.9655 18.4747 179.3951 41 K 4.0119 8.0762 119.0173 59.5497 32.0961 178.2683 42 D 4.5098 7.6805 117.3406 56.4894 40.7283 178.1335 43 L 4.1472 7.6794 118.9340 55.2970 41.7686 176.5683 44 F 4.3022 7.5315 118.4518 55.1509 39.8229 176.3461 45 S 3.8336 8.5473 122.1526 61.2315 62.5740 176.3624 46 F 4.4532 7.6125 113.3567 57.7610 38.4939 175.9345 47 L 4.3420 8.2148 122.2491 55.8111 42.5768 176.6805 48 K 3.8742 7.0334 117.5002 58.7925 32.1134 176.1723 49 G 4.0584 9.0266 112.7003 45.7842 0.0000 173.5308 50 T 4.2130 7.3915 109.1103 61.5366 69.6980 173.8736 51 S 4.5233 8.5534 114.8474 58.7977 63.9452 173.6012 52 E 4.6722 7.7034 116.9970 53.8450 32.0168 175.6434 53 V 3.7154 8.2028 120.9540 61.8240 31.5814 174.2262 54 P 4.3723 0.0000 0.0000 63.6132 31.3523 176.0750 55 Q 4.3791 8.5220 117.8765 56.5604 30.3154 175.5067 56 N 5.1545 7.7958 113.9951 51.8880 39.5411 174.4618 57 N 4.8503 7.7170 116.7132 51.3244 41.7116 172.2981 58 P 4.2960 0.0000 0.0000 65.5213 31.5811 178.5971 59 E 3.8193 8.0167 118.3706 59.2317 29.4488 178.5570 60 L 2.7543 7.2627 120.0188 57.9307 41.9642 179.1375 61 Q 3.9996 7.9334 117.6023 58.8055 28.3289 178.5340 62 A 4.0232 8.0138 121.8222 55.7590 18.3198 178.4704 63 H 4.0986 8.4593 116.2757 60.0496 29.9665 176.9094 64 A 4.2600 9.0375 122.3016 55.2263 18.4697 179.7997 65 G 3.9081 8.5021 104.2152 48.1865 0.0000 176.0264 66 K 4.1582 7.9874 120.8802 59.0652 31.9219 179.4832 67 V 3.6238 7.6675 118.4992 66.3080 31.4699 178.1848 68 F 4.0788 8.4992 116.6748 59.7595 38.6642 177.8459 69 K 3.9264 8.3312 119.4669 59.5928 32.2089 178.8302 70 L 3.9419 7.7615 119.3899 57.7261 41.5909 179.7472 71 V 3.5205 7.6000 118.4099 66.0189 31.5329 177.4888 72 Y 3.5958 7.8622 119.2671 60.6038 38.5444 177.9068 73 E 2.9933 7.5903 119.1149 58.7284 29.3276 179.1243 74 A 3.7672 7.4027 120.3043 55.0477 18.3838 179.5221 75 A 3.7200 7.4374 118.8564 55.1256 18.2614 180.0622 76 I 3.4863 7.0604 117.8536 64.5063 37.2156 178.3783 77 Q 3.8203 7.7491 120.3484 59.1372 28.7143 178.4021 78 L 4.0117 7.9289 120.2843 57.5953 41.3560 179.0613 79 E 4.0222 7.8730 118.6801 58.9060 29.6356 178.8147 80 V 3.6716 7.8184 117.9265 65.9821 31.8072 176.8029 81 T 4.1525 7.9033 106.6164 61.3853 69.7731 175.8416 82 G 3.9223 8.6403 109.2952 44.7818 0.0000 172.7063 83 V 4.3902 7.1442 111.1622 59.3599 35.3964 174.7908 84 V 4.0243 7.9646 120.3961 61.0724 32.1383 175.2225 85 V 3.6998 8.1443 127.8709 62.4072 31.6054 175.4616 86 T 4.0632 8.4517 125.2689 63.3600 68.5525 173.2202 87 D 5.1146 8.1783 127.7312 51.0852 42.5747 175.9349 88 A 3.9950 8.6693 119.1756 56.2596 18.0924 179.9714 89 T 3.8401 7.8749 113.5502 66.8395 68.5502 176.7414 90 L 4.0232 8.0233 120.7882 57.4841 41.4892 179.5486 91 K 4.1044 8.1264 118.6723 59.5903 32.0026 178.8421 92 N 4.3753 8.4237 117.2687 56.3496 38.7551 176.9921 93 L 4.1564 8.2797 121.1343 57.7145 41.5785 179.6143 94 G 3.7234 8.2259 105.7316 47.7414 0.0000 175.6780 95 S 4.1173 7.7984 115.7913 61.2835 62.3928 176.7872 96 V 3.7150 7.9547 121.5939 64.7814 31.0636 178.1025 97 H 4.1528 7.9971 117.0491 58.7278 28.4852 177.7960 98 V 3.6028 7.6485 119.9006 66.2484 31.1892 178.2031 99 S 4.1290 7.9734 113.4856 60.9513 62.6607 175.8668 100 K 4.4067 7.5638 118.9268 55.5604 32.0384 176.9405 101 G 3.8029 8.0403 107.4330 46.0273 0.0000 173.7688 102 V 3.8043 7.6005 119.0579 61.5655 32.4199 175.2064 103 A 4.9855 8.6889 128.4198 49.8871 22.2904 176.3229 104 D 4.7267 8.9543 118.7360 57.8246 40.9059 179.2507 105 A 4.3302 7.9533 119.4466 54.2535 18.9877 178.6287 106 H 4.3997 8.3678 113.9080 58.5412 28.5227 177.5312 107 F 4.0817 8.3558 119.8182 60.3659 38.7804 175.9333 108 P 4.3737 0.0000 0.0000 64.8431 31.0078 178.7792 109 V 3.4979 7.6320 117.4901 66.1596 31.4621 178.2946 110 V 3.6394 7.6983 117.3617 65.3997 31.3879 177.8173 111 K 2.7696 7.9320 119.8202 59.2926 31.9529 178.7628 112 E 3.9991 8.0375 118.5141 59.0877 29.2885 179.2710 113 A 3.9453 7.6545 120.9781 55.1495 18.4200 179.7998 114 I 3.8275 8.0597 118.7482 64.3440 37.1246 178.7335 115 L 3.9182 8.2252 120.3606 57.7868 41.5068 179.7400 116 K 3.9975 8.3129 118.6674 59.3684 31.9487 179.6637 117 T 3.8776 7.8942 116.1458 66.9159 68.4419 176.8754 118 I 3.7666 8.2022 121.7046 63.9449 36.7990 178.3803 119 K 4.0334 8.0956 120.7039 59.0088 31.7249 178.8663 120 E 3.9169 7.8754 118.4339 59.1622 29.5091 178.9011 121 V 3.6656 7.9020 117.2488 66.2687 31.7153 178.1092 122 V 4.1972 7.8570 112.7379 59.4181 32.0433 178.2736 123 G 3.8540 8.4545 106.9076 46.5527 0.0000 176.6961 124 A 4.2710 8.9271 127.9632 53.5481 18.1894 178.7947 125 K 4.3249 7.6795 114.1898 56.2774 32.5544 177.2745 126 W 4.2309 8.0697 130.4977 57.4580 31.3464 175.4628 127 S 4.5897 7.3116 118.5859 55.5183 67.0905 175.0246 128 E 3.5016 8.2420 120.9271 59.4475 29.2074 178.9981 129 E 3.8774 8.0107 120.1006 58.5262 29.4915 178.5745 130 L 3.9990 7.6660 120.2103 57.8344 42.1827 178.2791 131 N 4.4684 7.5113 117.2030 56.6549 38.9774 177.0274 132 S 4.1312 8.3374 115.8239 61.2985 63.0898 176.2936 133 A 4.0523 7.8835 124.4650 54.8315 18.2041 179.7525 134 W 4.1434 8.4523 117.3518 59.9968 28.9870 179.0874 135 T 4.0517 8.2207 115.9392 66.6830 67.8914 176.7729 136 I 3.6968 7.8304 121.4408 64.5012 37.1085 178.4138 137 A 3.8883 8.1283 121.5507 55.1012 18.0873 179.1620 138 Y 3.8492 8.2921 118.0321 60.9794 39.0577 177.6202 139 D 4.5065 8.4955 119.9765 57.6551 40.9928 178.8642 140 E 3.9218 8.3663 119.0394 59.3419 29.4620 179.2433 141 L 3.9282 8.1166 120.3760 57.8148 42.0990 178.8177 142 A 3.7278 8.0972 121.3355 54.6325 18.1192 179.5325 143 I 3.4907 7.4039 118.1842 64.5291 37.1335 178.7723 144 V 3.5069 7.2344 117.5286 66.0735 31.3429 178.2433 145 I 3.7521 7.5750 119.5714 64.1873 37.0137 178.5878 146 K 3.7435 7.7653 119.4356 58.8629 31.6571 179.2433 147 K 3.8217 7.5288 120.1143 59.7297 32.2076 178.8094 148 E 4.0819 8.0514 118.1998 59.0782 29.1310 179.2634 149 M 4.2841 8.2055 119.4399 58.3016 31.9148 178.2400 150 D 4.3862 7.7375 117.6068 57.5868 41.0791 178.4386 151 D 4.4773 7.8748 117.5865 56.4968 40.8997 177.6234 152 A 4.3619 7.6786 118.9371 52.3037 19.0923 176.9933 153 A 4.1584 7.6063 125.8438 52.2297 18.6937 177.4353 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 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 A 7.75 4.07 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 3 L 7.60 4.43 0.00 1.65 1.98 0.83 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.73 4.30 4.22 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 1.24 0.00 0.00 5 E 8.61 3.90 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 6 S 7.92 4.18 0.00 4.06 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 7 Q 8.11 4.08 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 8 A 8.30 4.01 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.80 4.06 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.88 4.02 0.00 1.97 1.77 0.90 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 11 V 7.64 3.73 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 0.54 0.00 0.00 0.52 0.00 0.00 12 K 8.21 4.19 0.00 2.09 1.92 0.00 1.87 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.72 1.77 7.81 13 S 7.97 4.19 0.00 4.05 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 14 S 8.39 4.38 0.00 4.47 4.43 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 15 W 9.28 4.53 0.00 3.56 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 16 E 8.26 3.44 0.00 2.13 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 2.35 2.66 0.00 17 E 8.04 4.04 0.00 2.24 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.56 0.00 18 F 8.11 4.04 0.00 2.91 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 19 N 7.55 4.02 0.00 1.65 2.24 0.00 0.00 7.26 7.34 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 20 A 7.10 4.04 1.25 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 0.00 0.00 21 N 7.80 4.70 0.00 2.43 2.00 0.00 0.00 7.05 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 22 I 7.52 3.21 1.72 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 1.53 0.58 0.85 0.00 0.00 23 P 0.00 4.23 0.00 2.07 2.22 0.00 3.43 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.05 0.00 24 K 7.69 3.95 0.00 1.65 1.65 0.00 1.68 0.00 0.00 1.73 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.47 7.81 25 H 8.03 4.28 0.00 2.21 3.10 0.00 5.67 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 T 8.05 4.15 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 1.29 0.00 0.00 27 H 8.18 4.45 0.00 3.33 3.51 0.00 5.78 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.28 3.86 0.00 2.12 2.20 0.00 3.23 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.73 0.00 29 F 8.57 4.20 0.00 3.52 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 30 F 8.02 3.80 0.00 3.16 2.88 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 31 I 7.81 3.66 2.01 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.86 0.87 0.00 0.00 32 L 7.95 3.90 0.00 1.72 1.62 0.99 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.40 3.40 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 1.02 0.00 0.00 0.07 0.00 0.00 34 L 7.59 4.26 0.00 1.75 1.71 1.01 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.22 4.11 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.50 0.00 36 I 7.37 4.15 1.93 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.51 0.89 0.00 0.00 37 A 8.14 4.57 1.25 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 0.00 0.00 38 P 0.00 4.27 0.00 2.10 2.14 0.00 3.87 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.06 0.00 39 A 8.11 4.10 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 A 8.12 4.16 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 41 K 8.08 4.01 0.00 1.89 1.90 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.49 7.81 42 D 7.68 4.51 0.00 2.64 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 43 L 7.68 4.15 0.00 1.11 1.09 0.60 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 44 F 7.53 4.30 0.00 2.58 1.50 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 45 S 8.55 3.83 0.00 4.03 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 F 7.61 4.45 0.00 3.02 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 47 L 8.21 4.34 0.00 1.86 1.69 0.61 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 48 K 7.03 3.87 0.00 1.75 1.78 0.00 1.64 0.00 0.00 1.78 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.58 1.56 7.81 49 G 9.03 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 50 T 7.39 4.21 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 51 S 8.55 4.52 0.00 3.83 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 52 E 7.70 4.67 0.00 1.98 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 0.00 2.22 2.26 0.00 53 V 8.20 3.72 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 0.82 0.00 0.00 0.92 0.00 0.00 54 P 0.00 4.37 0.00 2.21 2.07 0.00 3.83 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.06 0.00 55 Q 8.52 4.38 0.00 1.97 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.51 0.00 0.00 0.00 0.00 0.00 2.14 2.31 0.00 56 N 7.80 5.15 0.00 2.60 2.70 0.00 0.00 6.73 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 N 7.72 4.85 0.00 2.69 2.53 0.00 0.00 6.81 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 58 P 0.00 4.30 0.00 2.27 2.26 0.00 3.71 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.03 0.00 59 E 8.02 3.82 0.00 2.16 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 2.43 2.37 0.00 60 L 7.26 2.75 0.00 0.77 1.49 0.74 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 61 Q 7.93 4.00 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 62 A 8.01 4.02 1.43 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 63 H 8.46 4.10 0.00 3.49 3.61 0.00 5.80 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 64 A 9.04 4.26 1.60 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 0.00 0.00 65 G 8.50 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 0.00 0.00 0.00 66 K 7.99 4.16 0.00 2.08 1.96 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.55 1.70 7.81 67 V 7.67 3.62 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 0.77 0.00 0.00 1.05 0.00 0.00 68 F 8.50 4.08 0.00 3.07 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 69 K 8.33 3.93 0.00 2.34 1.95 0.00 1.77 0.00 0.00 1.86 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.78 7.81 70 L 7.76 3.94 0.00 1.91 1.67 0.98 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 71 V 7.60 3.52 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 1.27 0.00 0.00 0.96 0.00 0.00 72 Y 7.86 3.60 0.00 2.69 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 73 E 7.59 2.99 0.00 1.91 1.67 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 1.91 2.15 0.00 74 A 7.40 3.77 1.19 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 0.00 0.00 75 A 7.44 3.72 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 I 7.06 3.49 1.62 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.45 0.78 0.00 0.00 77 Q 7.75 3.82 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.80 0.00 0.00 0.00 0.00 0.00 2.49 2.31 0.00 78 L 7.93 4.01 0.00 1.79 1.62 0.85 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 79 E 7.87 4.02 0.00 1.99 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 2.41 2.59 0.00 80 V 7.82 3.67 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 0.87 0.00 0.00 0.92 0.00 0.00 81 T 7.90 4.15 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 82 G 8.64 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 83 V 7.14 4.39 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 0.66 0.00 0.00 0.88 0.00 0.00 84 V 7.96 4.02 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 0.68 0.00 0.00 0.82 0.00 0.00 85 V 8.14 3.70 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.87 0.00 0.00 86 T 8.45 4.06 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 1.25 0.00 0.00 87 D 8.18 5.11 0.00 2.76 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 88 A 8.67 4.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 T 7.87 3.84 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 1.23 0.00 0.00 90 L 8.02 4.02 0.00 1.62 1.69 0.92 1.09 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 91 K 8.13 4.10 0.00 2.05 1.86 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.68 7.81 92 N 8.42 4.38 0.00 2.85 2.82 0.00 0.00 7.23 6.21 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 93 L 8.28 4.16 0.00 1.98 1.86 0.99 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 94 G 8.23 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 0.00 0.00 0.00 95 S 7.80 4.12 0.00 3.88 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 V 7.95 3.72 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 0.95 0.00 0.00 0.90 0.00 0.00 97 H 8.00 4.15 0.00 3.46 3.47 0.00 5.82 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.65 3.60 2.30 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 1.13 0.00 0.00 1.06 0.00 0.00 99 S 7.97 4.13 0.00 4.03 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 0.00 100 K 7.56 4.41 0.00 1.72 1.66 0.00 1.68 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.62 1.50 7.81 101 G 8.04 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 0.00 102 V 7.60 3.80 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 0.71 0.00 0.00 0.80 0.00 0.00 103 A 8.69 4.99 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 0.00 104 D 8.95 4.73 0.00 2.82 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 0.00 105 A 7.95 4.33 1.29 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 0.00 106 H 8.37 4.40 0.00 3.32 3.20 0.00 5.83 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 0.00 107 F 8.36 4.08 0.00 3.42 3.43 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 0.00 108 P 0.00 4.37 0.00 2.20 2.15 0.00 3.96 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 2.18 2.24 0.00 109 V 7.63 3.50 2.31 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 0.98 0.00 0.00 0.95 0.00 0.00 110 V 7.70 3.64 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.98 0.00 0.00 111 K 7.93 2.77 0.00 1.25 1.74 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.26 1.11 7.81 112 E 8.04 4.00 0.00 1.99 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 2.48 2.44 0.00 113 A 7.65 3.95 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 0.00 114 I 8.06 3.83 1.74 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.70 0.60 0.00 0.00 115 L 8.23 3.92 0.00 1.63 1.76 0.98 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 116 K 8.31 4.00 0.00 1.82 1.80 0.00 1.62 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.60 7.81 117 T 7.89 3.88 4.54 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 1.34 0.00 0.00 118 I 8.20 3.77 1.63 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 0.99 -0.36 0.66 0.00 0.00 119 K 8.10 4.03 0.00 1.77 1.74 0.00 1.21 0.00 0.00 0.90 0.00 0.00 2.13 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.99 0.25 7.81 120 E 7.88 3.92 0.00 2.09 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 2.29 2.47 0.00 121 V 7.90 3.67 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 0.85 0.00 0.00 0.69 0.00 0.00 122 V 7.86 4.20 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 1.08 0.00 0.00 1.23 0.00 0.00 123 G 8.45 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 0.00 124 A 8.93 4.27 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 K 7.68 4.32 0.00 1.95 1.92 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.51 1.43 7.81 126 W 8.07 4.23 0.00 3.50 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 0.00 127 S 7.31 4.59 0.00 3.89 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 0.00 128 E 8.24 3.50 0.00 1.94 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 2.40 2.33 0.00 129 E 8.01 3.88 0.00 2.01 1.88 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 2.35 2.26 0.00 130 L 7.67 4.00 0.00 1.73 1.47 1.23 0.70 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 0.00 131 N 7.51 4.47 0.00 2.52 2.79 0.00 0.00 6.97 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 0.00 132 S 8.34 4.13 0.00 4.07 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 0.00 133 A 7.88 4.05 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 W 8.45 4.14 0.00 3.50 3.41 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.22 4.05 4.54 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 1.35 0.00 0.00 136 I 7.83 3.70 1.97 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.84 0.89 0.00 0.00 137 A 8.13 3.89 1.19 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 0.00 0.00 138 Y 8.29 3.85 0.00 3.20 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 0.00 139 D 8.50 4.51 0.00 3.03 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 0.00 140 E 8.37 3.92 0.00 1.93 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 2.54 2.41 0.00 141 L 8.12 3.93 0.00 1.63 1.52 0.81 1.44 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 0.00 142 A 8.10 3.73 0.94 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 0.00 0.00 143 I 7.40 3.49 1.95 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 1.34 1.20 0.84 0.00 0.00 144 V 7.23 3.51 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 0.97 0.00 0.00 0.91 0.00 0.00 145 I 7.58 3.75 1.74 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 1.52 0.37 1.02 0.00 0.00 146 K 7.77 3.74 0.00 1.65 1.59 0.00 0.62 0.00 0.00 0.84 0.00 0.00 2.65 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.07 0.21 7.81 147 K 7.53 3.82 0.00 1.87 1.92 0.00 1.59 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.44 7.81 148 E 8.05 4.08 0.00 2.17 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 2.54 2.48 0.00 149 M 8.21 4.28 0.00 2.13 2.28 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 2.85 0.00 150 D 7.74 4.39 0.00 2.77 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 D 7.87 4.48 0.00 2.72 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 A 7.68 4.36 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 0.00 153 A 7.61 4.16 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