NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 29 S 4.3218 8.3231 115.2892 57.7249 63.4622 173.0727 30 G 3.7001 8.2684 113.6231 44.0360 0.0000 171.7262 31 I 3.5952 8.4015 119.9333 61.7891 38.1834 174.0552 32 S 4.6465 8.6298 119.5141 56.4061 63.8304 172.8930 33 L 4.7326 8.3826 127.6222 53.1838 44.0907 176.2602 34 D 5.0114 8.2846 119.0800 52.5123 39.0089 176.0205 35 N 4.6087 7.8426 115.1511 54.4487 39.9919 176.0923 36 S 4.7173 7.5475 111.4838 55.8315 65.9469 173.4540 37 Y 4.1952 8.3772 119.9830 57.8968 38.1778 176.1858 38 K 4.1422 8.9037 124.8765 57.3436 32.0825 176.0399 39 M 4.9192 8.7709 125.7709 55.1945 32.6798 175.8054 40 D 4.9614 7.9253 116.6045 53.1062 39.9022 175.8562 41 Y 4.1826 7.5529 116.8783 58.0603 38.4285 174.7793 42 P 4.4153 0.0000 0.0000 64.9586 31.7418 176.9685 43 E 4.7592 8.1944 116.6873 54.3446 32.7035 176.9320 44 M 3.6935 8.4717 122.5138 58.8638 32.3515 175.9119 45 G 4.5900 7.4862 102.2502 44.0610 0.0000 172.1750 46 L 4.7319 8.5166 119.0754 54.6300 43.4507 176.3937 47 C 4.4940 8.8905 122.1677 57.5281 33.8344 172.2951 48 I 4.4678 8.2763 128.3680 60.3054 38.3584 175.0410 49 I 4.5913 8.7232 129.0746 59.6493 39.4930 174.8763 50 I 4.5214 8.7888 129.7953 60.0401 38.8170 174.6511 51 N 5.0533 9.3418 128.2421 51.9293 39.8663 172.3224 52 N 4.7819 8.9925 123.1671 51.9230 38.9938 174.3397 53 K 4.3588 9.3795 125.5256 57.3589 33.6825 175.6699 54 N 5.1967 8.0063 114.5606 51.3667 40.2467 174.1241 55 F 4.9232 8.5342 120.8443 55.4899 42.0128 175.0173 56 H 4.4916 9.2453 120.5476 55.6618 29.4693 177.2652 57 K 4.0796 8.6839 121.3016 59.8968 32.0423 179.6254 58 S 4.3905 8.0035 112.6272 60.4271 63.0507 175.3828 59 T 3.9320 7.5964 109.5078 62.4264 68.7573 175.3333 60 G 3.8249 7.8051 109.3462 46.5494 0.0000 172.7564 61 M 4.1647 7.4002 119.2453 53.0890 33.3991 176.6030 62 T 4.2293 7.8975 113.2998 60.9122 70.0536 174.6426 63 S 4.6545 8.5058 119.2604 59.2891 63.9477 175.7354 64 R 4.4091 8.7153 125.3935 54.1056 28.4222 175.6053 65 S 4.3325 7.8518 114.5442 60.3987 63.8110 175.1715 66 G 4.0520 9.0122 113.0606 45.8546 0.0000 175.3396 67 T 3.8964 7.9736 113.8706 65.2121 67.0976 175.7971 68 D 4.3977 8.0797 120.6434 56.9777 40.8754 178.5606 69 V 3.5725 7.7636 118.4623 66.0627 31.5177 177.5770 70 D 4.3460 7.9222 118.0100 57.4241 40.7230 178.6590 71 A 3.9587 8.3967 121.3335 55.1383 18.3649 179.5939 72 A 3.9363 8.2647 119.4224 55.1688 18.3849 179.2510 73 N 4.2337 8.2109 115.5745 56.9169 38.9582 177.0708 74 L 4.1038 8.1669 120.4038 57.8169 41.6897 179.3820 75 R 3.9247 8.0377 118.6528 59.4593 30.0245 178.2005 76 E 3.9275 8.3529 118.9695 59.5642 29.1619 178.8540 77 T 3.7547 8.1366 115.9699 66.8434 68.5738 176.7376 78 F 4.1242 8.6584 119.8384 59.9734 38.9067 177.7362 79 R 3.9951 8.3392 118.9177 59.7542 29.6536 178.1689 80 N 4.5249 8.0203 114.1391 55.1798 38.6495 176.3372 81 L 4.4010 7.2691 117.7711 53.9143 42.0053 176.6134 82 K 3.9443 7.9642 117.3150 57.5822 29.7363 175.5158 83 Y 4.3245 7.9491 115.8360 57.3574 39.2464 175.9729 84 E 4.2454 9.1387 124.8691 55.7950 29.8022 175.1416 85 V 4.4134 8.2198 126.6436 62.2294 32.9675 175.1847 86 R 4.6011 8.9804 126.3838 54.5697 33.1371 174.1320 87 N 5.2517 8.8058 121.7715 52.0739 40.3959 174.9534 88 K 4.6494 9.0662 121.8851 54.7119 36.0889 174.8511 89 N 5.2269 8.8397 121.6687 51.9723 40.8347 174.5892 90 D 4.2124 8.1655 121.8153 55.2430 38.9370 173.7713 91 L 4.6168 8.4548 119.9898 53.6731 43.4979 177.8348 92 T 4.5852 9.0064 115.6069 60.6779 70.8749 175.7171 93 R 3.9317 9.5116 119.3582 59.8421 29.1650 178.9199 94 E 4.0009 8.1205 118.6029 59.2053 29.4777 179.0452 95 E 4.0196 8.2647 118.6776 59.1464 29.4903 179.4023 96 I 3.7206 8.0473 120.2088 64.4818 37.1805 178.5752 97 V 3.7878 7.7565 118.8364 66.0591 31.2896 177.6319 98 E 3.8211 8.3622 119.0890 59.0070 29.3765 178.5279 99 L 3.9070 8.1338 120.5061 58.5194 42.1702 178.9197 100 M 4.2214 8.1345 118.5806 58.2704 31.6984 178.5882 101 R 2.5100 7.1817 117.7391 59.1790 30.4084 177.9171 102 D 4.3629 7.9716 118.6212 57.3446 40.9074 179.0540 103 V 3.6488 8.0506 119.2765 65.9494 31.3892 178.1497 104 S 3.8632 7.7872 112.5601 60.2821 62.7933 175.5757 105 K 4.2122 7.2372 120.0213 56.0510 32.4295 176.7415 106 E 4.0096 7.0402 118.5490 55.9523 29.9627 176.3002 107 D 4.5379 8.3305 120.6463 54.1791 40.8024 175.2144 108 H 4.7850 9.0290 124.2003 55.7542 28.9942 177.5104 109 S 4.0681 8.5937 119.0545 61.7977 62.8682 175.7326 110 K 4.5680 8.0328 116.8885 56.3766 32.0410 175.6207 111 R 5.0900 7.6136 118.6594 54.6322 31.6048 176.7564 112 S 4.2329 8.9146 119.6283 61.4075 63.9862 173.9160 113 S 4.6672 7.9676 112.7243 57.5920 66.8874 173.3378 114 F 5.1302 8.9313 121.2746 56.4208 42.7777 173.3777 115 V 4.0616 7.6064 124.9720 60.7630 34.6647 173.5909 116 C 4.6720 7.8473 127.1375 57.3070 34.7557 172.3808 117 V 4.6828 8.8484 126.4036 61.0167 33.7291 174.0000 118 L 5.0135 9.0486 128.0267 52.9289 44.5653 175.3658 119 L 5.0570 8.5723 124.1567 53.8072 44.1554 175.5380 120 S 5.1123 8.5238 118.2135 57.8671 66.8817 174.0155 121 H 4.4011 8.8210 117.7465 56.3395 29.7551 174.8597 122 G 4.6488 8.3358 106.1549 46.3362 0.0000 171.2161 123 E 4.9288 8.5980 118.0218 54.3460 34.7559 174.6534 124 E 4.0085 8.7717 121.3556 58.1223 29.7980 177.1092 125 G 3.9660 9.1257 113.7630 45.5179 0.0000 172.1601 126 I 4.9720 7.8693 120.1540 59.2176 41.3942 174.1981 127 I 4.7539 8.4828 125.7222 59.1786 41.2318 173.9636 128 F 4.9598 9.0606 127.8107 56.2925 39.5647 176.5143 129 G 4.0265 9.1831 113.8204 44.8276 0.0000 174.4246 130 T 3.9441 8.7791 109.5559 63.4673 68.6593 175.3614 131 N 4.9214 9.1985 116.8934 51.3788 38.3205 174.0056 132 G 4.2296 7.0995 107.5973 44.7797 0.0000 169.7938 133 P 4.4050 0.0000 0.0000 62.3036 32.5517 175.9967 134 V 4.4082 8.5248 120.7291 60.8876 35.0438 174.4407 135 D 4.6715 8.6252 127.6458 54.2643 41.3958 177.4599 136 L 3.9451 9.0602 124.4436 57.7763 41.5600 179.7413 137 K 3.8310 7.9170 119.1454 59.1407 31.8729 178.6147 138 K 3.6744 7.4765 118.8554 59.2770 32.4977 178.6204 139 I 4.1442 7.6122 119.7956 64.8349 37.2276 178.3964 140 T 3.9994 7.8819 110.2768 64.4080 68.7215 176.3735 141 N 4.2346 8.1774 119.6180 56.2708 38.2276 177.0858 142 F 4.3106 7.3626 116.8563 59.5377 38.9013 175.9928 143 F 4.6477 7.8389 114.8790 56.7588 39.4392 176.0699 144 R 4.0812 7.7340 121.1985 56.3309 30.4835 177.8970 145 G 3.6966 8.7759 109.6125 48.5656 0.0000 174.4031 146 D 4.5682 8.0364 117.2916 54.3696 40.1093 177.0211 147 R 4.3985 7.7618 117.0717 56.2895 31.9762 175.5596 148 C 4.6558 8.0169 118.5417 56.8471 31.4826 174.1316 149 R 4.2546 8.4161 124.3590 57.9327 30.1232 178.6056 150 S 4.4624 8.0121 109.9627 59.1701 63.6359 174.3060 151 L 4.5629 7.7653 120.6759 54.5528 42.5307 176.3679 152 T 4.0524 7.5179 117.4860 65.0789 68.6741 175.3689 153 G 4.1647 9.0229 113.3723 45.5051 0.0000 172.9814 154 K 4.7398 7.7722 118.8115 53.4291 34.8101 174.4834 155 P 4.1442 0.0000 0.0000 62.6968 32.5715 175.0739 156 K 4.8522 8.6752 122.8155 54.7238 34.4816 175.2280 157 L 4.6664 8.5377 126.2571 52.8006 44.0964 175.6255 158 F 4.8250 8.9099 122.5481 55.6910 41.4090 174.7488 159 I 4.4320 8.6654 125.6976 59.5372 39.3910 174.9218 160 I 4.8562 8.4232 127.6301 59.7043 39.9888 175.3020 161 Q 4.4853 8.8171 130.5821 55.1442 29.5097 173.9956 162 A 4.9355 7.8653 124.8678 51.6745 21.8822 175.4860 163 C 4.3246 8.9452 117.2924 59.6647 29.1629 173.9223 164 R 4.4537 9.5198 118.8460 54.3651 30.6900 176.8196 165 G 3.8945 7.2638 105.7550 44.6440 0.0000 173.4298 166 T 4.5112 7.9180 108.9214 61.0795 69.8873 174.2283 167 E 4.1389 8.0824 122.0305 56.5289 30.1374 175.9224 168 L 4.6594 8.2438 121.5651 52.8875 44.2940 175.5713 169 D 4.7090 8.5186 122.8379 52.8222 41.4723 176.0267 170 C 4.1166 8.7179 122.2371 58.7476 30.1838 174.6142 171 G 3.9871 8.3251 109.7218 44.7467 0.0000 172.4946 172 I 4.5997 7.7679 117.2753 58.6418 40.8895 174.5694 173 E 4.1137 8.8235 127.2113 56.7034 30.0588 177.0349 174 T 4.1783 8.3706 111.7214 61.8126 69.1207 174.4642 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 29 S 8.32 4.32 0.00 3.84 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 30 G 8.27 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 I 8.40 3.60 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.57 0.91 0.00 0.00 32 S 8.63 4.65 0.00 3.78 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 33 L 8.38 4.73 0.00 1.65 1.54 0.91 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.28 5.01 0.00 2.69 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 N 7.84 4.61 0.00 2.71 2.87 0.00 0.00 6.99 7.57 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 36 S 7.55 4.72 0.00 3.96 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 37 Y 8.38 4.20 0.00 3.07 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 38 K 8.90 4.14 0.00 1.80 1.99 0.00 1.58 0.00 0.00 1.50 0.00 0.00 2.39 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.29 1.46 7.81 39 M 8.77 4.92 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.78 0.00 40 D 7.93 4.96 0.00 2.72 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Y 7.55 4.18 0.00 3.05 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 42 P 0.00 4.42 0.00 2.09 2.16 0.00 4.03 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 43 E 8.19 4.76 0.00 2.12 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 2.20 2.24 0.00 44 M 8.47 3.69 0.00 0.86 1.69 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.30 0.00 45 G 7.49 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 46 L 8.52 4.73 0.00 1.85 1.68 1.16 0.73 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 47 C 8.89 4.49 0.00 2.48 2.60 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 48 I 8.28 4.47 1.76 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.17 0.93 0.00 0.00 49 I 8.72 4.59 1.81 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 1.04 0.63 0.86 0.00 0.00 50 I 8.79 4.52 1.89 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.66 0.93 0.00 0.00 51 N 9.34 5.05 0.00 2.76 2.78 0.00 0.00 6.73 6.61 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 52 N 8.99 4.78 0.00 2.87 2.44 0.00 0.00 6.76 7.12 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 53 K 9.38 4.36 0.00 1.74 1.84 0.00 1.61 0.00 0.00 1.80 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.42 7.81 54 N 8.01 5.20 0.00 2.77 2.70 0.00 0.00 6.69 7.45 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 55 F 8.53 4.92 0.00 3.15 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 56 H 9.25 4.49 0.00 3.28 3.27 0.00 5.64 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.68 4.08 0.00 1.88 1.87 0.00 1.55 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.54 1.54 7.81 58 S 8.00 4.39 0.00 3.89 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 59 T 7.60 3.93 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 1.37 0.00 0.00 60 G 7.81 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 61 M 7.40 4.16 0.00 1.01 1.62 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 1.79 0.00 62 T 7.90 4.23 4.25 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 1.16 0.00 0.00 63 S 8.51 4.65 0.00 3.94 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 64 R 8.72 4.41 0.00 1.97 1.91 0.00 3.01 0.00 0.00 3.70 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.76 0.00 65 S 7.85 4.33 0.00 3.87 3.84 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 0.00 0.00 0.00 66 G 9.01 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 0.00 0.00 0.00 67 T 7.97 3.90 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 68 D 8.08 4.40 0.00 2.73 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 7.76 3.57 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 1.08 0.00 0.00 0.94 0.00 0.00 70 D 7.92 4.35 0.00 2.92 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 A 8.40 3.96 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 72 A 8.26 3.94 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 73 N 8.21 4.23 0.00 2.98 2.95 0.00 0.00 7.26 5.97 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 74 L 8.17 4.10 0.00 1.89 1.77 0.92 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 75 R 8.04 3.92 0.00 2.09 2.11 0.00 3.22 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 76 E 8.35 3.93 0.00 2.14 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 0.00 2.31 2.39 0.00 77 T 8.14 3.75 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 78 F 8.66 4.12 0.00 3.11 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 79 R 8.34 4.00 0.00 2.06 2.17 0.00 3.11 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 80 N 8.02 4.52 0.00 2.86 2.85 0.00 0.00 7.08 7.87 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 81 L 7.27 4.40 0.00 2.03 1.89 0.61 0.85 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 82 K 7.96 3.94 0.00 1.84 1.92 0.00 1.70 0.00 0.00 1.86 0.00 0.00 3.20 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.52 7.81 83 Y 7.95 4.32 0.00 3.20 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 84 E 9.14 4.25 0.00 2.08 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 2.33 2.28 0.00 85 V 8.22 4.41 2.11 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 0.89 0.00 0.00 1.02 0.00 0.00 86 R 8.98 4.60 0.00 1.73 1.79 0.00 3.20 0.00 0.00 3.19 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 87 N 8.81 5.25 0.00 2.57 2.72 0.00 0.00 6.94 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 88 K 9.07 4.65 0.00 1.60 1.65 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.54 7.81 89 N 8.84 5.23 0.00 2.55 2.67 0.00 0.00 7.22 8.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 D 8.17 4.21 0.00 2.72 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 91 L 8.45 4.62 0.00 1.69 1.58 0.94 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 92 T 9.01 4.59 4.51 0.00 0.00 0.00 0.00 0.00 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 93 R 9.51 3.93 0.00 2.03 2.48 0.00 2.93 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.71 0.00 94 E 8.12 4.00 0.00 2.09 2.05 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 2.41 2.48 0.00 95 E 8.26 4.02 0.00 2.26 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 2.35 0.00 96 I 8.05 3.72 2.07 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 1.46 1.05 1.00 0.00 0.00 97 V 7.76 3.79 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 1.28 0.00 0.00 1.05 0.00 0.00 98 E 8.36 3.82 0.00 2.11 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 0.00 2.27 2.28 0.00 99 L 8.13 3.91 0.00 1.88 1.91 0.95 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 100 M 8.13 4.22 0.00 2.50 2.28 0.00 0.00 0.00 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.93 3.01 0.00 101 R 7.18 2.51 0.00 0.95 1.71 0.00 3.15 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.17 0.00 102 D 7.97 4.36 0.00 2.80 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 0.00 103 V 8.05 3.65 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 1.10 0.00 0.00 104 S 7.79 3.86 0.00 3.43 2.68 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 0.00 105 K 7.24 4.21 0.00 1.78 1.81 0.00 1.55 0.00 0.00 1.57 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.38 7.81 106 E 7.04 4.01 0.00 1.91 1.76 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 2.30 2.38 0.00 107 D 8.33 4.54 0.00 2.61 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 0.00 108 H 9.03 4.79 0.00 3.31 3.25 0.00 5.70 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 S 8.59 4.07 0.00 3.88 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 0.00 110 K 8.03 4.57 0.00 1.84 1.87 0.00 1.65 0.00 0.00 1.85 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.56 1.50 7.81 111 R 7.61 5.09 0.00 1.78 1.82 0.00 3.20 0.00 0.00 3.32 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.57 0.00 112 S 8.91 4.23 0.00 3.90 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 0.00 113 S 7.97 4.67 0.00 4.02 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 0.00 114 F 8.93 5.13 0.00 3.00 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 0.00 115 V 7.61 4.06 1.15 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 -0.05 0.00 0.00 0.31 0.00 0.00 116 C 7.85 4.67 0.00 2.38 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 0.00 0.00 0.00 0.00 117 V 8.85 4.68 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 0.94 0.00 0.00 0.53 0.00 0.00 118 L 9.05 5.01 0.00 1.61 1.59 1.03 0.40 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 0.00 119 L 8.57 5.06 0.00 1.58 1.59 0.96 0.41 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 0.00 120 S 8.52 5.11 0.00 4.04 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 0.00 121 H 8.82 4.40 0.00 2.89 3.00 0.00 5.71 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 0.00 122 G 8.34 4.65 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 0.00 0.00 0.00 123 E 8.60 4.93 0.00 1.95 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 2.31 2.46 0.00 124 E 8.77 4.01 0.00 2.08 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 2.29 2.37 0.00 125 G 9.13 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 0.00 0.00 0.00 126 I 7.87 4.97 1.73 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.94 0.33 0.00 0.00 127 I 8.48 4.75 1.89 0.00 0.00 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 1.30 1.04 0.93 0.00 0.00 128 F 9.06 4.96 0.00 3.24 3.18 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 0.00 129 G 9.18 4.03 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 0.00 130 T 8.78 3.94 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 131 N 9.20 4.92 0.00 2.70 2.55 0.00 0.00 5.92 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 0.00 132 G 7.10 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 P 0.00 4.40 0.00 1.78 1.33 0.00 3.77 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.95 0.00 134 V 8.52 4.41 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 1.06 0.00 0.00 0.95 0.00 0.00 135 D 8.63 4.67 0.00 2.57 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.06 3.95 0.00 1.67 1.63 0.90 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 137 K 7.92 3.83 0.00 1.78 1.71 0.00 1.52 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.46 7.81 138 K 7.48 3.67 0.00 1.72 1.94 0.00 1.80 0.00 0.00 1.69 0.00 0.00 3.09 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.26 7.81 139 I 7.61 4.14 2.05 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.07 1.16 0.00 0.00 140 T 7.88 4.00 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 0.25 0.00 0.00 141 N 8.18 4.23 0.00 2.51 2.67 0.00 0.00 6.87 7.74 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 0.00 142 F 7.36 4.31 0.00 2.83 2.43 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 0.00 143 F 7.84 4.65 0.00 3.30 3.13 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 0.00 144 R 7.73 4.08 0.00 1.99 2.07 0.00 3.19 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 145 G 8.78 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 D 8.04 4.57 0.00 2.79 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 R 7.76 4.40 0.00 1.77 1.98 0.00 3.30 0.00 0.00 3.12 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 148 C 8.02 4.66 0.00 2.91 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 0.00 149 R 8.42 4.25 0.00 1.88 1.97 0.00 3.72 0.00 0.00 3.35 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.52 0.00 150 S 8.01 4.46 0.00 3.98 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 0.00 151 L 7.77 4.56 0.00 1.83 1.70 0.71 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 152 T 7.52 4.05 4.33 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 1.25 0.00 0.00 153 G 9.02 4.16 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 0.00 0.00 0.00 154 K 7.77 4.74 0.00 1.75 1.75 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.13 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.30 1.33 7.81 155 P 0.00 4.14 0.00 1.85 1.39 0.00 3.53 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.35 0.00 156 K 8.68 4.85 0.00 1.80 1.98 0.00 1.95 0.00 0.00 1.87 0.00 0.00 3.00 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.42 1.67 7.81 157 L 8.54 4.67 0.00 1.24 1.42 0.88 0.84 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 0.00 158 F 8.91 4.82 0.00 2.87 2.97 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 0.00 159 I 8.67 4.43 1.74 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 1.20 0.58 0.91 0.00 0.00 160 I 8.42 4.86 1.90 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 1.30 0.68 0.95 0.00 0.00 161 Q 8.82 4.49 0.00 2.17 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.77 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 162 A 7.87 4.94 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 0.00 163 C 8.95 4.32 0.00 3.11 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 0.00 164 R 9.52 4.45 0.00 1.77 2.07 0.00 3.22 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 165 G 7.26 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 0.00 0.00 0.00 166 T 7.92 4.51 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 167 E 8.08 4.14 0.00 1.98 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 2.32 2.34 0.00 168 L 8.24 4.66 0.00 1.59 1.54 0.92 1.01 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 0.00 169 D 8.52 4.71 0.00 2.63 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 0.00 170 C 8.72 4.12 0.00 3.12 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 G 8.33 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 0.00 0.00 0.00 172 I 7.77 4.60 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.86 0.91 0.00 0.00 173 E 8.82 4.11 0.00 2.00 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 2.31 2.30 0.00 174 T 8.37 4.18 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00