NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 M 4.4456 8.3044 118.1957 54.9431 32.0823 174.8937 5 S 4.1938 8.4682 112.3803 57.0006 64.1199 172.0680 6 L 4.6216 9.4667 129.7890 55.6046 43.4462 174.7380 7 Y 5.1418 9.4704 123.5502 56.1443 42.6238 174.3235 8 R 5.1620 8.7979 120.9929 54.5498 33.6916 173.7430 9 L 5.2740 9.3850 127.8570 53.3050 45.4536 174.8274 10 I 5.1511 8.9591 127.0397 59.7275 40.2915 174.2356 11 Y 5.4604 8.6329 123.7078 55.5971 42.1266 173.7838 12 S 5.2378 9.2334 113.8525 57.1085 67.2197 172.6718 13 S 4.9166 8.9471 114.3353 57.9466 67.1711 172.6612 14 Q 4.7965 8.9026 119.4994 53.9888 29.9423 176.3550 15 G 4.4455 8.9590 112.6952 45.8604 0.0000 173.3314 16 I 4.1768 8.5752 115.1447 59.7084 38.4703 175.3902 17 P 4.3944 0.0000 0.0000 65.5735 31.3821 177.4520 18 N 5.0881 7.2316 114.1692 52.1947 39.1068 175.3007 19 L 3.9275 8.1864 120.2952 55.8371 42.7357 178.1762 20 Q 4.6073 8.6860 121.6569 52.7121 30.3539 172.0274 21 P 4.3161 0.0000 0.0000 66.8182 31.0711 178.8671 22 Q 3.9850 8.0334 117.8550 59.2145 28.9357 177.8660 23 D 4.3058 8.0200 119.6768 57.2276 40.8073 178.6710 24 L 4.0771 7.9090 121.5567 57.7785 41.6321 179.9545 25 K 3.9653 8.2213 126.3104 60.4968 31.7002 182.1551 26 D 4.8489 8.2355 122.8730 58.4562 39.6002 180.3546 27 I 3.7514 7.7579 121.3567 64.3299 37.0955 177.9039 28 L 4.0226 8.3624 124.5648 58.2011 41.9055 179.5275 29 E 3.9527 8.9672 119.1092 61.2364 29.6648 180.7951 30 S 4.3014 8.5171 117.1412 61.5796 62.6234 177.1555 31 S 4.1289 8.2674 116.8602 61.7483 62.4771 176.5055 32 Q 4.1725 8.2155 120.7565 57.8622 28.4614 178.3321 33 R 4.1463 7.7726 117.0081 59.1182 30.2822 178.1637 34 N 4.5409 8.2014 117.1394 55.6916 38.6842 177.3578 35 N 4.4771 8.4331 118.1457 55.6267 38.6372 175.3558 36 P 4.2570 0.0000 0.0000 65.7874 31.2493 178.4788 37 A 4.0333 7.9484 118.1738 55.0413 18.4768 177.8288 38 N 4.5714 7.8326 109.5994 52.9566 38.8238 175.4990 39 G 3.9872 7.8273 106.1618 46.4287 0.0000 173.6181 40 I 4.5204 7.8009 120.3832 60.0405 38.3071 175.5976 41 T 5.1786 8.8106 113.5276 58.1479 72.4204 174.2466 42 G 3.9271 7.5332 106.6895 46.1031 0.0000 170.8114 43 L 4.8730 7.2613 119.9338 53.5753 45.9663 175.5904 44 L 5.2189 9.0929 127.1600 53.4351 45.2908 174.7121 45 C 5.3616 9.3595 123.3609 58.0894 31.5452 172.1220 46 Y 4.7950 8.9437 123.9537 55.9865 41.0107 174.2329 47 S 4.8300 8.5141 124.5243 54.8838 63.9607 172.5408 48 K 3.3717 7.6653 124.6929 53.2849 31.7216 173.1606 49 P 4.7251 0.0000 0.0000 61.7358 32.8533 174.9846 50 A 4.8962 7.9668 123.6689 51.2082 21.0426 176.3381 51 F 5.3215 9.1071 119.1371 55.8253 42.0715 174.8909 52 L 4.9105 8.9832 123.9606 53.3930 44.9376 174.9093 53 Q 5.0240 8.4352 127.2337 54.0301 33.0854 174.0299 54 V 4.9246 8.3007 123.9535 59.8156 34.3872 174.3607 55 L 5.2791 9.2827 123.7014 53.0241 45.3786 175.3488 56 E 5.1929 10.5527 121.8308 54.0318 34.0783 176.4460 57 G 4.1394 8.0879 109.2361 44.5260 0.0000 171.1777 58 E 4.4038 8.1394 119.4835 56.2630 31.1603 176.8939 59 C 3.5409 8.9993 129.2310 63.4952 31.4898 176.7725 60 E 3.9213 8.0531 118.8504 61.4058 29.2291 180.7798 61 Q 4.2481 7.9677 118.7208 58.3483 28.8556 178.5961 62 V 3.6228 8.2489 119.8232 66.0792 31.5231 177.8077 63 N 4.4002 8.2784 116.2161 56.3566 38.2870 176.6590 64 E 3.9289 8.2560 120.6590 59.8668 29.5560 179.2636 65 T 3.8517 8.2303 115.4945 66.7876 68.6446 175.9529 66 Y 4.0002 8.1724 121.6428 61.4062 38.5365 178.2116 67 H 4.0336 8.2681 114.9481 57.8473 29.0147 177.7007 68 R 3.9403 7.5682 121.2067 59.5589 30.0449 178.2064 69 I 3.5783 7.8875 119.9975 64.6332 36.8319 178.5526 70 V 3.3209 7.1092 117.8416 65.5193 31.3254 177.5815 71 Q 4.1094 7.7329 116.3305 56.3944 29.1382 175.9415 72 D 4.3375 7.7709 124.1059 54.7672 41.6039 177.2086 73 E 4.3408 8.7175 121.5736 57.5564 30.1958 174.6561 74 R 4.4333 8.8572 117.1951 57.7330 30.4937 175.2970 75 H 5.3414 7.7586 111.5335 55.2233 31.7306 171.8367 76 H 4.7424 9.0083 114.6010 55.0022 31.8603 172.8347 77 S 3.8854 8.6221 113.5977 59.0763 59.6081 171.2984 78 P 4.6644 0.0000 0.0000 62.7401 32.5679 176.0898 79 Q 4.7282 9.6989 121.8111 54.0044 31.3117 174.9110 80 I 4.1103 8.5259 125.8597 61.6618 37.1541 175.9300 81 I 4.2085 8.9140 128.7387 63.2503 38.4266 176.1596 82 E 4.7429 7.7552 120.6518 55.1282 33.1703 173.6797 83 C 5.3656 8.4927 126.1147 58.2378 34.4859 172.5742 84 M 4.5037 8.6285 122.0644 53.4085 34.4033 172.6129 85 P 4.1813 0.0000 0.0000 62.4629 32.3043 175.6207 86 I 4.6599 8.1201 114.3358 59.3464 40.2141 175.8881 87 R 4.1007 8.7782 122.4053 58.8561 30.4103 176.9704 88 R 4.4866 7.1761 110.4077 55.1813 31.4950 174.5941 89 R 4.3826 8.4459 118.4282 56.4174 30.7675 176.3587 90 N 4.6559 9.3365 116.7604 53.1892 40.5954 175.7626 91 F 4.7618 8.4484 117.0090 56.9319 39.3742 177.4774 92 E 4.0970 8.1104 121.4056 59.2248 29.4480 178.6496 93 V 3.5864 7.4991 111.8037 62.6881 31.9762 175.7846 94 W 5.0652 8.0399 120.7338 54.4571 30.8821 176.0336 95 S 4.4097 9.0745 119.1203 61.7190 63.2929 174.1218 96 M 4.7811 7.5641 115.0862 54.3984 34.8577 173.6235 97 Q 4.5285 8.3290 124.7913 54.0447 32.9165 173.5778 98 A 5.2250 8.3172 125.2459 50.1646 21.8856 175.3857 99 I 4.4952 8.6621 122.7329 59.4315 41.0725 174.5134 100 T 4.8804 8.5164 116.1732 60.1317 70.8168 173.9242 101 V 4.4056 8.6633 127.0368 61.4235 33.5138 173.8081 102 N 5.1354 8.4701 126.0791 51.9815 39.7360 174.4042 103 D 4.5435 8.7332 116.7301 55.8797 41.2218 177.0435 104 L 4.5474 7.5552 116.3460 55.4942 42.9571 176.8434 105 S 4.3768 7.7768 115.1727 58.2673 63.5171 174.7799 106 T 4.0895 8.2830 112.5016 61.7932 70.3183 174.7880 107 E 3.9404 8.8580 121.5956 60.0292 29.5414 179.6263 108 Q 3.9752 8.0401 118.7391 59.1592 29.2036 178.3915 109 V 3.7408 7.6237 119.0095 65.9835 31.6291 178.0959 110 K 4.0277 8.3188 118.3548 59.9230 31.9173 179.4311 111 T 3.9139 8.3566 116.3231 66.4898 68.1124 176.4606 112 L 4.0870 7.7445 120.9412 58.1436 42.3260 178.8651 113 V 3.7319 8.0481 118.2622 66.0430 30.9683 177.8174 114 L 4.0702 8.0540 120.0281 57.9334 41.6281 178.8200 115 K 3.8757 7.8328 119.0539 58.5296 32.1082 176.8181 116 Y 4.7420 7.3931 113.8962 57.4748 38.6262 174.6448 117 S 4.6107 7.6138 113.2143 57.0603 66.1513 174.4697 118 G 3.4205 8.4927 108.6842 47.3315 0.0000 172.9578 119 F 4.9121 7.2962 116.5967 55.9369 42.8261 174.3386 120 T 4.2151 8.6771 114.4697 63.3993 67.5092 174.2228 121 T 4.3615 7.6224 111.1100 60.2671 70.2986 173.9734 122 L 3.9166 8.3801 129.5302 55.3394 42.4903 177.3577 123 R 4.4718 8.0446 124.1285 53.1078 30.8219 169.8330 124 P 4.3872 0.0000 0.0000 64.9767 31.6677 179.1453 125 S 4.0894 8.1374 111.1294 60.6248 62.7626 174.6249 126 A 4.5523 8.1723 122.5396 51.9900 19.0065 176.3927 127 M 4.9690 8.0216 116.7414 53.1459 35.1532 176.1004 128 D 4.7057 8.8289 123.0294 52.1601 42.0062 175.8293 129 P 4.2081 0.0000 0.0000 65.7263 31.1640 178.5787 130 E 3.9150 8.2166 117.5502 59.3120 29.5721 178.6802 131 Q 3.9660 8.8507 118.4537 59.1522 28.8219 178.4084 132 C 4.0606 8.2036 117.7668 62.8806 28.2548 175.9672 133 L 3.9973 8.0410 121.5874 58.4540 41.7330 178.8454 134 N 4.2330 8.1707 116.4077 56.0468 38.3415 177.0905 135 F 3.9346 7.8220 122.2731 61.3883 39.5843 177.2815 136 L 3.9098 8.0417 118.4405 57.4426 41.3825 179.5553 137 L 4.0100 8.1312 119.1960 57.9221 41.5782 179.2301 138 D 4.3820 8.0729 118.8782 57.3581 40.5414 178.7059 139 I 3.7477 7.5098 118.1232 63.8435 38.1014 177.5432 140 A 4.4624 8.0796 121.4142 54.9027 18.0767 179.5582 141 K 4.0071 7.9900 118.4295 59.5154 32.1158 178.8716 142 I 3.9834 7.7330 111.3694 62.8625 37.6790 176.6144 143 Y 4.5605 7.6562 116.7743 57.6037 38.3396 175.0853 144 E 4.8865 8.3096 125.8475 55.2591 30.2085 175.0703 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 4 M 8.30 4.45 0.00 2.13 2.01 0.00 0.00 0.00 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.58 0.00 5 S 8.47 4.19 0.00 4.14 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 0.00 6 L 9.47 4.62 0.00 1.86 1.70 1.03 0.88 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 7 Y 9.47 5.14 0.00 3.01 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 8 R 8.80 5.16 0.00 1.89 1.71 0.00 3.14 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 9 L 9.38 5.27 0.00 1.70 1.48 0.41 0.92 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 10 I 8.96 5.15 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.53 0.93 0.00 0.00 11 Y 8.63 5.46 0.00 3.17 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 S 9.23 5.24 0.00 3.96 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 13 S 8.95 4.92 0.00 4.14 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 0.00 14 Q 8.90 4.80 0.00 1.65 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.97 0.00 0.00 0.00 0.00 0.00 2.29 2.45 0.00 15 G 8.96 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 0.00 0.00 0.00 0.00 16 I 8.58 4.18 1.93 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.85 1.07 0.00 0.00 17 P 0.00 4.39 0.00 2.08 2.22 0.00 3.67 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.19 0.00 18 N 7.23 5.09 0.00 2.82 2.78 0.00 0.00 7.11 7.73 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 19 L 8.19 3.93 0.00 1.43 1.37 0.80 0.93 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 20 Q 8.69 4.61 0.00 1.99 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.74 0.00 0.00 0.00 0.00 0.00 2.22 2.18 0.00 21 P 0.00 4.32 0.00 2.14 2.14 0.00 3.56 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 22 Q 8.03 3.99 0.00 2.14 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.90 0.00 0.00 0.00 0.00 0.00 2.41 2.49 0.00 23 D 8.02 4.31 0.00 2.93 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 24 L 7.91 4.08 0.00 1.76 1.70 0.77 0.85 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 25 K 8.22 3.97 0.00 1.78 1.82 0.00 1.83 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.33 7.81 26 D 8.24 4.85 0.00 2.66 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 27 I 7.76 3.75 1.94 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.53 0.77 0.00 0.00 28 L 8.36 4.02 0.00 1.92 1.71 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 29 E 8.97 3.95 0.00 1.91 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 2.25 2.23 0.00 30 S 8.52 4.30 0.00 4.00 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 31 S 8.27 4.13 0.00 4.03 4.10 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 32 Q 8.22 4.17 0.00 2.10 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.01 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 33 R 7.77 4.15 0.00 1.98 2.05 0.00 3.05 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.74 0.00 34 N 8.20 4.54 0.00 2.78 2.90 0.00 0.00 7.05 6.97 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 35 N 8.43 4.48 0.00 2.97 3.14 0.00 0.00 6.96 7.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.26 0.00 2.17 2.15 0.00 3.62 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 2.23 2.21 0.00 37 A 7.95 4.03 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 38 N 7.83 4.57 0.00 2.81 2.88 0.00 0.00 6.99 7.53 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 39 G 7.83 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 40 I 7.80 4.52 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.92 1.00 0.00 0.00 41 T 8.81 5.18 4.70 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 1.34 0.00 0.00 42 G 7.53 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 0.00 0.00 0.00 43 L 7.26 4.87 0.00 1.81 1.06 0.75 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 44 L 9.09 5.22 0.00 1.68 1.55 1.03 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 45 C 9.36 5.36 0.00 2.90 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 46 Y 8.94 4.80 0.00 2.99 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.51 4.83 0.00 3.66 3.49 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.67 3.37 0.00 1.81 1.65 0.00 1.74 0.00 0.00 2.41 0.00 0.00 2.91 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.38 1.01 7.81 49 P 0.00 4.73 0.00 2.08 2.28 0.00 3.50 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.90 0.00 50 A 7.97 4.90 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 0.00 0.00 0.00 0.00 0.00 0.00 51 F 9.11 5.32 0.00 3.17 2.91 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 52 L 8.98 4.91 0.00 1.67 1.47 0.90 0.58 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 53 Q 8.44 5.02 0.00 1.90 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.53 0.00 0.00 0.00 0.00 0.00 2.24 2.39 0.00 54 V 8.30 4.92 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 -0.15 0.00 0.00 0.83 0.00 0.00 55 L 9.28 5.28 0.00 1.61 1.63 1.11 0.80 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 56 E 10.55 5.19 0.00 1.94 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 2.34 2.36 0.00 57 G 8.09 4.14 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 0.00 58 E 8.14 4.40 0.00 2.07 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 2.43 2.58 0.00 59 C 9.00 3.54 0.00 2.26 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 60 E 8.05 3.92 0.00 2.01 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 2.32 1.98 0.00 61 Q 7.97 4.25 0.00 2.07 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.88 0.00 0.00 0.00 0.00 0.00 2.45 2.49 0.00 62 V 8.25 3.62 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 1.19 0.00 0.00 1.08 0.00 0.00 63 N 8.28 4.40 0.00 2.85 2.93 0.00 0.00 6.69 7.18 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 64 E 8.26 3.93 0.00 2.25 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 0.00 2.31 2.52 0.00 65 T 8.23 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 1.24 0.00 0.00 66 Y 8.17 4.00 0.00 2.90 2.91 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 67 H 8.27 4.03 0.00 3.13 3.29 0.00 5.71 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 R 7.57 3.94 0.00 1.95 2.03 0.00 3.09 0.00 0.00 3.14 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 69 I 7.89 3.58 1.73 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 1.36 0.57 0.87 0.00 0.00 70 V 7.11 3.32 1.65 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 0.64 0.00 0.00 0.03 0.00 0.00 71 Q 7.73 4.11 0.00 2.10 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.58 0.00 0.00 0.00 0.00 0.00 2.33 2.58 0.00 72 D 7.77 4.34 0.00 2.79 2.53 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 73 E 8.72 4.34 0.00 2.03 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 2.23 1.90 0.00 74 R 8.86 4.43 0.00 1.94 1.98 0.00 3.07 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.55 0.00 75 H 7.76 5.34 0.00 3.51 3.45 0.00 5.57 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 H 9.01 4.74 0.00 3.32 3.43 0.00 5.61 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 S 8.62 3.89 0.00 4.10 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 78 P 0.00 4.66 0.00 2.22 1.93 0.00 3.71 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.84 0.00 79 Q 9.70 4.73 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.04 0.00 0.00 0.00 0.00 0.00 2.49 2.50 0.00 80 I 8.53 4.11 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.39 0.86 0.00 0.00 81 I 8.91 4.21 1.99 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 1.13 0.71 0.92 0.00 0.00 82 E 7.76 4.74 0.00 2.00 1.72 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 2.27 2.30 0.00 83 C 8.49 5.37 0.00 2.94 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 M 8.63 4.50 0.00 2.02 1.93 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 85 P 0.00 4.18 0.00 1.79 1.85 0.00 3.36 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.95 0.00 86 I 8.12 4.66 1.85 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 0.65 0.86 0.00 0.00 87 R 8.78 4.10 0.00 1.80 2.01 0.00 3.38 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.54 0.00 88 R 7.18 4.49 0.00 1.83 1.82 0.00 2.97 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.54 0.00 89 R 8.45 4.38 0.00 1.82 2.09 0.00 3.19 0.00 0.00 3.29 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 90 N 9.34 4.66 0.00 2.01 2.23 0.00 0.00 6.82 7.22 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 91 F 8.45 4.76 0.00 3.37 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 92 E 8.11 4.10 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.23 0.00 93 V 7.50 3.59 1.75 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 0.49 0.00 0.00 -0.20 0.00 0.00 94 W 8.04 5.07 0.00 3.54 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 S 9.07 4.41 0.00 3.95 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 96 M 7.56 4.78 0.00 1.97 1.93 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.50 0.00 97 Q 8.33 4.53 0.00 1.42 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.53 0.00 0.00 0.00 0.00 0.00 1.16 1.62 0.00 98 A 8.32 5.23 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 0.00 0.00 0.00 0.00 0.00 0.00 99 I 8.66 4.50 1.59 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.20 0.32 0.00 0.00 100 T 8.52 4.88 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 1.32 0.00 0.00 101 V 8.66 4.41 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 1.09 0.00 0.00 1.08 0.00 0.00 102 N 8.47 5.14 0.00 2.86 2.82 0.00 0.00 6.30 8.14 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 0.00 103 D 8.73 4.54 0.00 2.64 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 0.00 104 L 7.56 4.55 0.00 1.68 1.70 0.94 0.91 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 0.00 105 S 7.78 4.38 0.00 4.03 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 0.00 106 T 8.28 4.09 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 1.21 0.00 0.00 107 E 8.86 3.94 0.00 2.01 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 2.42 2.35 0.00 108 Q 8.04 3.98 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.92 0.00 0.00 0.00 0.00 0.00 2.47 2.45 0.00 109 V 7.62 3.74 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 1.17 0.00 0.00 1.12 0.00 0.00 110 K 8.32 4.03 0.00 2.03 1.89 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.50 1.66 7.81 111 T 8.36 3.91 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 1.22 0.00 0.00 112 L 7.74 4.09 0.00 1.92 2.18 1.22 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 113 V 8.05 3.73 2.34 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 0.84 0.00 0.00 1.09 0.00 0.00 114 L 8.05 4.07 0.00 2.02 1.81 0.95 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 115 K 7.83 3.88 0.00 1.85 1.65 0.00 1.68 0.00 0.00 1.41 0.00 0.00 2.72 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.75 1.22 7.81 116 Y 7.39 4.74 0.00 3.02 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 0.00 117 S 7.61 4.61 0.00 3.95 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 0.00 118 G 8.49 3.42 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 0.00 119 F 7.30 4.91 0.00 2.81 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 0.00 120 T 8.68 4.22 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 121 T 7.62 4.36 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 1.16 0.00 0.00 122 L 8.38 3.92 0.00 1.38 1.47 0.01 0.77 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 0.00 123 R 8.04 4.47 0.00 1.71 1.75 0.00 3.32 0.00 0.00 3.34 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.18 0.00 124 P 0.00 4.39 0.00 2.15 2.11 0.00 3.52 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.02 0.00 125 S 8.14 4.09 0.00 3.98 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 0.00 126 A 8.17 4.55 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 M 8.02 4.97 0.00 1.94 2.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.59 0.00 128 D 8.83 4.71 0.00 2.93 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 0.00 129 P 0.00 4.21 0.00 2.18 2.15 0.00 3.61 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 2.12 2.29 0.00 130 E 8.22 3.92 0.00 2.05 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 2.41 2.42 0.00 131 Q 8.85 3.97 0.00 2.29 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.54 0.00 0.00 0.00 0.00 0.00 2.60 2.58 0.00 132 C 8.20 4.06 0.00 3.13 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 L 8.04 4.00 0.00 1.85 1.81 1.08 0.65 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 0.00 134 N 8.17 4.23 0.00 2.26 2.46 0.00 0.00 6.71 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 0.00 135 F 7.82 3.93 0.00 2.91 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 0.00 136 L 8.04 3.91 0.00 2.03 1.76 0.88 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 137 L 8.13 4.01 0.00 1.67 1.63 0.87 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 138 D 8.07 4.38 0.00 2.81 2.79 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 0.00 139 I 7.51 3.75 1.14 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 1.35 0.83 0.61 0.00 0.00 140 A 8.08 4.46 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 0.00 0.00 0.00 0.00 0.00 141 K 7.99 4.01 0.00 2.10 1.96 0.00 1.48 0.00 0.00 1.64 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.49 7.81 142 I 7.73 3.98 1.87 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.82 1.04 0.00 0.00 143 Y 7.66 4.56 0.00 3.11 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 0.00 144 E 8.31 4.89 0.00 1.92 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 0.00 2.21 2.42 0.00