NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3789 8.3044 120.3422 54.2089 35.4194 175.9666 2 L 3.4626 7.6900 120.5828 53.8926 40.2915 176.3050 3 K 3.8767 9.8050 119.9027 55.2010 32.0783 173.4958 4 Q 4.6133 8.0836 118.1149 53.7108 29.1498 176.3774 5 V 4.1075 8.3475 125.0655 63.0368 32.8020 174.3125 6 E 4.6114 8.8076 127.6588 54.8598 31.5541 174.9090 7 I 4.9112 8.5646 125.6973 59.4094 40.4769 174.7554 8 F 5.6628 9.6247 124.6393 56.0931 42.8485 174.0759 9 T 5.8773 8.5360 111.5944 59.1320 72.4414 172.3525 10 D 4.6080 8.2907 119.4306 54.2130 44.2890 174.9515 11 G 4.6771 10.1081 110.9442 45.0255 0.0000 171.7814 12 S 4.8929 9.7082 116.5983 57.2255 66.4209 172.2325 13 C 4.9741 8.4546 123.2053 58.4653 35.1190 173.6407 14 L 4.3112 8.7911 125.6774 55.6605 41.8606 175.3128 15 G 4.3788 8.3768 113.7457 43.8024 0.0000 173.4232 16 N 4.4868 8.2036 132.7455 52.6603 39.6080 172.1119 17 P 4.4627 0.0000 0.0000 62.4315 32.8060 175.0674 18 G 4.5320 8.0465 107.0463 46.1247 0.0000 170.9450 19 P 5.5082 0.0000 0.0000 62.1825 33.0415 176.2921 20 G 4.2098 8.7391 108.3442 46.7685 0.0000 171.3153 21 G 5.0097 9.0886 106.6251 45.8179 0.0000 171.8256 22 Y 5.4801 7.9786 116.2359 55.3606 41.9999 174.2584 23 G 4.6667 9.6869 107.9516 44.5433 0.0000 171.5087 24 A 5.9400 9.3573 126.0824 49.2076 23.0422 174.7312 25 I 5.0396 8.6972 121.8066 59.4649 40.9650 174.0941 26 L 5.0814 9.0313 129.3762 53.4556 45.0139 175.6036 27 R 5.9700 9.0808 126.5347 53.9852 30.2399 172.8312 28 Y 4.6051 8.2860 123.5350 58.2271 40.6992 175.0811 29 R 3.7247 9.1321 126.3810 57.3040 28.9691 177.8241 30 G 4.0559 9.0595 115.6861 45.7164 0.0000 173.4197 31 R 4.0476 7.6275 119.7597 56.1415 30.6787 174.7502 32 E 5.0123 8.6701 123.1978 54.7720 31.6231 175.3021 33 K 4.6320 8.9087 124.4992 54.7164 35.2359 175.5110 34 T 5.1765 8.2712 120.1144 61.7907 71.2198 173.5129 35 F 4.8038 9.2187 123.7651 55.5117 42.8478 174.3070 36 S 5.1720 8.7517 113.9372 58.1885 64.7539 175.7857 37 A 4.4338 6.9385 126.2637 50.7984 22.5315 174.9028 38 G 4.5896 8.3333 106.8358 44.0093 0.0000 171.8719 39 Y 4.8678 9.5707 122.1503 56.1785 41.0425 175.7963 40 T 4.1071 8.8586 111.6314 62.9715 69.0136 173.4228 41 R 4.9301 7.3259 122.1727 53.7720 33.2324 174.8292 42 T 3.8266 7.3961 116.1902 62.2077 72.1563 170.6615 43 T 4.6254 7.3550 111.2106 59.1742 72.4384 174.7320 44 N 4.2744 8.5961 118.6517 56.9264 38.8850 176.4150 45 N 4.2970 7.8265 117.4126 56.0410 38.6631 177.4109 46 R 3.8270 7.4728 118.4110 59.5177 30.1431 179.0264 47 M 3.9806 7.5926 117.5130 58.4117 31.7805 178.5323 48 E 4.0078 7.7731 117.2678 59.5487 30.0946 179.2647 49 L 3.9315 8.0653 118.8059 58.0238 41.5418 178.9898 50 M 3.5914 8.3758 118.0571 58.7435 31.8077 178.2551 51 A 3.6467 7.7401 120.3194 55.0585 18.2822 179.2046 52 A 4.2147 7.8383 117.2596 53.6796 18.0625 179.4905 53 I 3.7667 7.2350 118.4693 63.7870 37.5739 177.9985 54 V 3.4781 6.8982 117.2265 65.8187 31.5021 177.6829 55 A 3.6803 7.2610 118.8579 55.0876 18.4124 179.7299 56 L 3.8719 7.3639 116.8488 57.9965 41.8538 178.9186 57 E 4.1733 9.1399 114.9702 56.8602 28.8777 177.1592 58 A 4.2896 7.1618 120.6458 52.0754 20.0427 177.7990 59 L 4.0570 7.2894 115.9607 53.2456 40.7370 176.2848 60 K 4.5157 8.1835 126.1483 56.1646 33.3887 176.8468 61 E 4.5654 7.7453 114.3319 56.3386 31.9129 174.2102 62 H 4.3484 8.7188 119.2867 56.8478 29.1699 174.3142 63 C 4.8141 8.9992 120.6582 58.0842 32.2103 173.3246 64 E 4.4990 8.5447 119.6493 55.2109 29.5261 175.5567 65 V 4.1269 7.8127 124.5716 61.7895 33.9250 174.5578 66 I 4.5695 7.9519 125.4445 59.1861 41.1909 173.6078 67 L 4.7173 8.0432 132.4423 53.3696 44.1732 174.6302 68 S 5.6733 8.2200 122.1851 56.5209 64.3077 172.7583 69 T 5.0883 8.5197 119.8432 61.4415 70.5171 173.1867 70 N 5.0354 8.9229 121.8918 52.5155 38.5029 174.9382 71 S 4.2071 7.9908 114.1084 58.6772 62.4080 173.7134 72 Q 3.8295 8.7142 130.0289 59.4465 28.6884 177.4555 73 Y 4.1513 7.4645 118.2282 61.0795 38.8792 178.3303 74 V 3.6095 7.7649 118.3916 65.9873 31.4702 178.0617 75 R 2.0000 7.5300 118.3246 58.6634 29.7735 178.6355 76 Q 3.2227 7.3059 117.8263 58.3361 28.5489 178.5643 77 G 2.6735 6.8918 106.8304 47.6718 0.0000 175.8002 78 I 3.4855 7.0103 121.5322 63.3700 37.1805 177.8950 79 T 4.2502 7.2983 108.5016 62.5816 69.3269 175.4343 80 Q 4.3673 7.5430 116.5741 54.9043 31.4182 174.5110 81 W 4.0112 6.2134 115.3249 57.7495 31.4629 179.1116 82 I 3.3730 7.4638 119.1020 64.2929 38.6216 176.6490 83 H 4.1671 7.2345 117.2831 57.5492 28.2236 177.2977 84 N 4.0246 7.8054 121.6197 56.2362 38.2114 176.7661 85 W 4.5724 7.7401 119.7516 59.0063 29.5486 178.7253 86 K 3.3298 7.7183 118.7126 58.8160 31.3384 178.9913 87 K 4.0943 7.5975 115.2909 57.6578 32.0447 176.7052 88 R 4.4653 7.0090 114.1779 56.0858 32.0260 174.3404 89 G 3.7625 8.4563 104.1727 47.7918 0.0000 174.2816 90 W 3.6828 9.2075 115.1628 56.6673 27.0238 174.0224 91 K 4.6670 7.1964 115.1007 55.1181 36.3586 176.7934 92 T 4.2176 9.4365 112.5336 60.4284 69.9406 175.2788 93 A 3.9540 8.5709 124.1126 55.1433 17.4174 177.7729 94 D 4.7648 8.0919 113.9816 52.9223 39.8030 176.5483 95 K 3.9968 7.7831 116.4692 58.0617 30.0977 174.6377 96 K 4.6232 7.0896 118.3064 53.7279 34.8391 173.5326 97 P 4.4596 0.0000 0.0000 62.9749 31.7077 176.6969 98 V 3.5795 7.7186 123.5786 61.3280 32.1567 175.7356 99 K 4.0823 8.1673 123.2510 57.4880 32.8467 176.3648 100 N 4.5916 9.0288 122.2497 54.4745 35.7051 176.8326 101 V 3.3715 8.0592 120.8405 64.9230 31.1550 176.7184 102 D 4.2449 8.0843 119.3219 56.5324 38.9256 178.5318 103 L 3.7779 7.6984 120.4251 56.8917 41.4137 179.3867 104 W 4.4615 8.8067 119.5777 59.8834 29.0056 178.8476 105 Q 3.6532 7.8254 117.9722 58.8034 27.9578 178.1617 106 R 3.8648 7.8679 119.6553 59.4737 29.8463 178.2629 107 L 3.9676 8.0731 120.0009 58.1293 42.2207 178.4072 108 D 4.4196 8.1294 117.3352 56.9303 40.9129 178.0431 109 A 4.0451 7.9620 120.7529 55.7377 18.2681 178.8810 110 A 4.0998 8.0399 119.6641 54.3797 18.4603 180.1894 111 L 3.9402 9.2581 115.3803 57.4519 42.2241 181.3459 112 G 4.3745 8.3863 109.4516 45.9067 0.0000 174.0600 113 Q 4.1520 7.9628 116.9437 56.9839 31.5356 176.0493 114 H 4.7660 7.4572 111.7642 54.5282 31.1101 174.8542 115 Q 4.6502 8.0866 120.0246 54.7325 27.3545 174.8894 116 I 3.8035 7.5224 121.2405 61.2401 38.7418 176.6041 117 K 4.3376 8.5703 126.3657 54.2722 35.1182 174.7510 118 W 4.3130 8.4863 127.1162 55.5293 30.3500 175.3365 119 E 4.3047 8.6205 125.7815 54.2268 31.5914 174.4364 120 W 5.4340 8.5255 127.7708 55.2186 30.5044 176.3623 121 V 3.9750 8.6496 126.6479 62.4352 31.6856 174.7890 122 K 4.3822 9.1011 131.9125 56.8813 30.1080 179.2610 123 G 3.7885 9.2412 112.9342 47.8666 0.0000 173.3991 124 H 4.3907 8.5922 120.2794 55.7805 30.4267 175.6543 125 A 4.3498 7.5706 122.0219 51.5530 15.6946 176.7477 126 G 3.5805 8.0288 107.5355 45.9986 0.0000 170.4152 127 H 3.7283 7.9326 121.2897 52.4126 30.7498 173.5069 128 P 4.3564 0.0000 0.0000 64.9617 31.2492 177.7737 129 E 3.6979 7.6629 117.9880 58.4923 29.2694 178.0139 130 N 4.3698 7.4213 116.1470 55.4541 38.4715 176.5236 131 E 4.0149 7.4980 118.2052 58.0653 30.4024 178.5502 132 R 3.9164 7.5359 119.2303 59.1450 29.8992 178.8058 133 C 4.1575 7.9656 116.2780 62.7701 28.2218 175.1248 134 D 4.4012 7.5138 119.2783 57.6777 40.6723 178.3674 135 E 3.9641 8.3815 118.9608 59.0349 29.4408 178.7561 136 L 3.9548 8.3789 120.5629 58.4234 42.0384 179.0736 137 A 4.0338 8.7330 121.1453 55.2419 18.1392 179.7938 138 R 3.9277 8.1327 115.3659 58.4918 30.3566 178.5296 139 A 4.2764 7.7135 120.6508 54.4067 19.4101 179.0069 140 A 3.9263 7.7355 118.6854 55.5310 18.1467 179.7625 141 A 4.1204 7.6130 118.0624 55.3043 18.5015 179.2346 142 M 4.4223 8.2970 116.4064 56.4210 32.9229 176.6974 143 N 4.5509 7.2896 111.0049 51.8796 38.0479 172.2009 144 P 4.6500 0.0000 0.0000 63.1232 32.5412 176.4533 145 T 4.4072 8.9907 108.8686 62.0599 71.6039 174.5069 146 L 4.2095 7.2131 121.3406 53.3906 42.9603 174.4217 147 E 4.9685 8.4408 120.1049 54.8059 31.6707 175.9311 148 D 4.8243 8.5345 126.5951 52.5594 39.6998 174.9251 149 T 3.8451 7.6414 117.6284 64.3886 68.2956 176.1449 150 G 4.5351 7.7943 112.3306 48.5384 0.0000 173.0118 151 Y 4.1567 7.8804 121.9350 57.5241 39.0380 174.8244 152 Q 4.1167 7.8055 125.9189 53.7704 30.8353 175.8576 153 V 3.5170 7.7179 117.0902 62.9502 31.3295 175.7495 154 E 3.8126 8.2128 127.0251 56.4889 28.0889 174.7277 155 V 3.6296 8.2416 115.6152 63.4026 32.2736 172.0853 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 M 8.30 4.38 0.00 1.97 2.13 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.46 0.00 2 L 7.69 3.46 0.00 1.87 0.82 0.89 0.34 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 3 K 9.81 3.88 0.00 1.87 2.00 0.00 1.81 0.00 0.00 1.69 0.00 0.00 2.81 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.25 1.41 7.81 4 Q 8.08 4.61 0.00 1.93 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.20 6.69 0.00 0.00 0.00 0.00 0.00 2.29 2.15 0.00 5 V 8.35 4.11 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 1.10 0.00 0.00 6 E 8.81 4.61 0.00 1.89 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 2.19 2.42 0.00 7 I 8.56 4.91 1.64 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.81 0.84 0.00 0.00 8 F 9.62 5.66 0.00 2.87 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 9 T 8.54 5.88 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 1.29 0.00 0.00 10 D 8.29 4.61 0.00 2.85 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 11 G 10.11 4.68 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 0.00 0.00 0.00 12 S 9.71 4.89 0.00 3.84 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 13 C 8.45 4.97 0.00 2.92 2.83 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 14 L 8.79 4.31 0.00 1.65 1.61 0.92 0.95 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 15 G 8.38 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 0.00 0.00 0.00 0.00 16 N 8.20 4.49 0.00 2.76 2.86 0.00 0.00 6.85 7.69 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 17 P 0.00 4.46 0.00 1.93 1.56 0.00 3.79 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 2.21 2.18 0.00 18 G 8.05 4.53 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 0.00 19 P 0.00 5.51 0.00 2.27 2.04 0.00 3.91 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 2.10 1.93 0.00 20 G 8.74 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 0.00 0.00 0.00 0.00 21 G 9.09 5.01 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 22 Y 7.98 5.48 0.00 3.19 3.16 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 0.00 0.00 0.00 0.00 23 G 9.69 4.67 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 24 A 9.36 5.94 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 25 I 8.70 5.04 2.12 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.72 1.14 0.00 0.00 26 L 9.03 5.08 0.00 1.88 1.84 0.91 0.73 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 27 R 9.08 5.97 0.00 1.81 1.89 0.00 3.24 0.00 0.00 3.26 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.52 0.00 28 Y 8.29 4.61 0.00 2.96 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 29 R 9.13 3.72 0.00 1.84 1.25 0.00 3.17 0.00 0.00 2.98 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 1.07 0.00 30 G 9.06 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 31 R 7.63 4.05 0.00 2.04 1.88 0.00 3.13 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 32 E 8.67 5.01 0.00 1.88 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 2.27 2.35 0.00 33 K 8.91 4.63 0.00 1.54 1.54 0.00 1.76 0.00 0.00 1.77 0.00 0.00 2.93 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.40 1.63 7.81 34 T 8.27 5.18 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 1.27 0.00 0.00 35 F 9.22 4.80 0.00 3.12 3.20 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 36 S 8.75 5.17 0.00 3.90 3.65 0.00 0.00 0.00 0.00 0.00 0.00 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 A 6.94 4.43 1.09 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 0.00 0.00 38 G 8.33 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 0.00 0.00 0.00 0.00 39 Y 9.57 4.87 0.00 2.83 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 40 T 8.86 4.11 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 41 R 7.33 4.93 0.00 1.76 1.88 0.00 3.44 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 42 T 7.40 3.83 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 43 T 7.35 4.63 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 0.64 0.00 0.00 44 N 8.60 4.27 0.00 2.80 2.79 0.00 0.00 6.90 6.71 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 45 N 7.83 4.30 0.00 2.28 1.42 0.00 0.00 7.11 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 46 R 7.47 3.83 0.00 1.76 1.85 0.00 3.43 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 47 M 7.59 3.98 0.00 2.28 2.33 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.83 0.00 48 E 7.77 4.01 0.00 2.19 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 2.41 2.66 0.00 49 L 8.07 3.93 0.00 1.82 1.44 0.03 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 50 M 8.38 3.59 0.00 1.95 1.90 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 2.28 0.00 51 A 7.74 3.65 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 52 A 7.84 4.21 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 53 I 7.23 3.77 1.83 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.84 0.80 0.00 0.00 54 V 6.90 3.48 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.64 0.00 0.00 55 A 7.26 3.68 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 56 L 7.36 3.87 0.00 1.81 1.66 0.95 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 57 E 9.14 4.17 0.00 1.83 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 2.30 2.33 0.00 58 A 7.16 4.29 1.14 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 59 L 7.29 4.06 0.00 1.65 1.55 0.58 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 60 K 8.18 4.52 0.00 1.88 1.90 0.00 1.62 0.00 0.00 1.78 0.00 0.00 3.08 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.39 7.81 61 E 7.75 4.57 0.00 2.08 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 2.31 2.37 0.00 62 H 8.72 4.35 0.00 3.06 3.29 0.00 5.65 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 C 9.00 4.81 0.00 2.86 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 64 E 8.54 4.50 0.00 1.87 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 2.31 2.27 0.00 65 V 7.81 4.13 1.86 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 0.59 0.00 0.00 0.77 0.00 0.00 66 I 7.95 4.57 1.66 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 1.03 0.76 0.00 0.00 67 L 8.04 4.72 0.00 0.92 0.80 0.65 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.22 5.67 0.00 4.24 3.60 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 69 T 8.52 5.09 4.48 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 1.68 0.00 0.00 70 N 8.92 5.04 0.00 2.96 3.10 0.00 0.00 6.01 7.64 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 71 S 7.99 4.21 0.00 4.05 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 72 Q 8.71 3.83 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.64 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 73 Y 7.46 4.15 0.00 3.25 3.20 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 74 V 7.76 3.61 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 1.05 0.00 0.00 0.97 0.00 0.00 75 R 7.53 2.00 0.00 1.15 1.50 0.00 2.68 0.00 0.00 2.64 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 76 Q 7.31 3.22 0.00 1.51 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.54 0.00 0.00 0.00 0.00 0.00 1.98 2.04 0.00 77 G 6.89 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 I 7.01 3.49 1.56 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.41 0.31 0.00 0.00 79 T 7.30 4.25 4.04 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 1.05 0.00 0.00 80 Q 7.54 4.37 0.00 1.64 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.15 2.06 0.00 81 W 6.21 4.01 0.00 1.78 1.74 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 82 I 7.46 3.37 1.71 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.33 0.84 0.00 0.00 83 H 7.23 4.17 0.00 3.18 3.15 0.00 5.91 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 84 N 7.81 4.02 0.00 2.67 2.82 0.00 0.00 6.89 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 85 W 7.74 4.57 0.00 3.16 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 86 K 7.72 3.33 0.00 1.48 1.31 0.00 1.57 0.00 0.00 1.47 0.00 0.00 2.85 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.77 1.26 7.81 87 K 7.60 4.09 0.00 1.66 1.75 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.45 7.81 88 R 7.01 4.47 0.00 1.82 1.96 0.00 3.54 0.00 0.00 3.19 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 89 G 8.46 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 90 W 9.21 3.68 0.00 3.39 2.92 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 91 K 7.20 4.67 0.00 1.68 1.65 0.00 1.75 0.00 0.00 1.87 0.00 0.00 3.08 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.61 7.81 92 T 9.44 4.22 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 93 A 8.57 3.95 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 94 D 8.09 4.76 0.00 2.85 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 95 K 7.78 4.00 0.00 1.87 1.89 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.38 1.49 7.81 96 K 7.09 4.62 0.00 2.12 1.59 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.36 7.81 97 P 0.00 4.46 0.00 1.91 1.93 0.00 3.69 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 1.99 2.07 0.00 98 V 7.72 3.58 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 -0.24 0.00 0.00 -0.36 0.00 0.00 99 K 8.17 4.08 0.00 1.75 1.87 0.00 1.92 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.49 1.48 7.81 100 N 9.03 4.59 0.00 3.52 3.12 0.00 0.00 6.88 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 0.00 101 V 8.06 3.37 1.86 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 0.77 0.00 0.00 0.68 0.00 0.00 102 D 8.08 4.24 0.00 2.82 2.92 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 0.00 103 L 7.70 3.78 0.00 1.75 1.45 0.75 0.78 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 0.00 104 W 8.81 4.46 0.00 3.16 3.39 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 0.00 105 Q 7.83 3.65 0.00 2.07 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.73 0.00 0.00 0.00 0.00 0.00 1.57 1.16 0.00 106 R 7.87 3.86 0.00 1.89 2.09 0.00 3.04 0.00 0.00 3.02 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.71 0.00 107 L 8.07 3.97 0.00 1.80 1.81 1.02 1.05 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 0.00 108 D 8.13 4.42 0.00 3.36 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 0.00 109 A 7.96 4.05 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 0.00 110 A 8.04 4.10 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 0.00 111 L 9.26 3.94 0.00 1.94 1.83 1.35 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 112 G 8.39 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 0.00 113 Q 7.96 4.15 0.00 2.04 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.65 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 114 H 7.46 4.77 0.00 3.18 3.37 0.00 5.80 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 Q 8.09 4.65 0.00 2.11 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.96 0.00 0.00 0.00 0.00 0.00 2.20 2.27 0.00 116 I 7.52 3.80 1.45 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.30 -0.48 0.00 0.00 117 K 8.57 4.34 0.00 1.57 1.46 0.00 1.54 0.00 0.00 1.56 0.00 0.00 2.78 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.17 1.28 7.81 118 W 8.49 4.31 0.00 2.91 1.74 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 0.00 119 E 8.62 4.30 0.00 1.77 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.33 0.00 120 W 8.53 5.43 0.00 3.21 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 0.00 121 V 8.65 3.98 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 0.78 0.00 0.00 1.00 0.00 0.00 122 K 9.10 4.38 0.00 1.88 1.17 0.00 1.77 0.00 0.00 1.87 0.00 0.00 2.88 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.60 1.43 7.81 123 G 9.24 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 H 8.59 4.39 0.00 3.15 3.81 0.00 5.79 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 A 7.57 4.35 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 0.00 126 G 8.03 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 0.00 127 H 7.93 3.73 0.00 3.43 3.52 0.00 5.61 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 P 0.00 4.36 0.00 2.20 2.27 0.00 3.58 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.01 0.00 129 E 7.66 3.70 0.00 1.16 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 2.09 2.22 0.00 130 N 7.42 4.37 0.00 3.12 2.86 0.00 0.00 6.59 7.54 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 0.00 131 E 7.50 4.01 0.00 2.16 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 0.00 2.39 2.41 0.00 132 R 7.54 3.92 0.00 1.98 2.01 0.00 3.08 0.00 0.00 3.09 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 133 C 7.97 4.16 0.00 3.26 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 0.00 134 D 7.51 4.40 0.00 2.80 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 0.00 135 E 8.38 3.96 0.00 2.24 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 2.33 2.32 0.00 136 L 8.38 3.95 0.00 1.95 1.81 0.91 1.19 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 0.00 137 A 8.73 4.03 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 0.00 138 R 8.13 3.93 0.00 1.87 2.02 0.00 3.17 0.00 0.00 3.49 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.90 0.00 139 A 7.71 4.28 1.37 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 0.00 140 A 7.74 3.93 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 0.00 141 A 7.61 4.12 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 0.00 142 M 8.30 4.42 0.00 1.94 2.23 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.68 0.00 143 N 7.29 4.55 0.00 2.74 2.76 0.00 0.00 6.11 7.75 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 0.00 144 P 0.00 4.65 0.00 2.05 2.23 0.00 3.60 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.23 0.00 145 T 8.99 4.41 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 1.15 0.00 0.00 146 L 7.21 4.21 0.00 0.27 0.92 0.63 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.44 4.97 0.00 1.94 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 2.27 2.32 0.00 148 D 8.53 4.82 0.00 2.68 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 0.00 149 T 7.64 3.85 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 1.25 0.00 0.00 150 G 7.79 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 0.00 0.00 0.00 0.00 151 Y 7.88 4.16 0.00 2.94 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 0.00 152 Q 7.81 4.12 0.00 1.86 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.95 0.00 0.00 0.00 0.00 0.00 2.10 2.19 0.00 153 V 7.72 3.52 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 0.72 0.00 0.00 0.83 0.00 0.00 154 E 8.21 3.81 0.00 1.98 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 0.00 2.11 2.28 0.00 155 V 8.24 3.63 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 0.71 0.00 0.00 0.87 0.00 0.00