NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.6598 8.2644 122.4702 52.1909 20.0753 175.5877 2 T 4.5413 8.7795 116.4525 59.8464 70.4636 171.4556 3 K 5.3392 8.8680 126.5431 54.9447 37.1946 174.4739 4 A 5.3920 9.3743 123.6846 50.9150 23.2873 175.4426 5 V 5.0631 9.0151 118.2047 60.5944 35.6175 173.5897 6 C 5.1279 9.2522 121.5600 57.8955 35.6274 172.6837 7 V 4.6575 8.3972 125.5077 61.2010 33.2487 174.1325 8 L 4.7694 8.8031 129.5926 54.1595 42.9851 176.3860 9 K 4.7553 9.1217 122.7497 55.1754 36.9397 176.3339 10 G 4.7007 8.0631 109.3525 44.7585 0.0000 171.8271 11 D 4.5605 8.7724 117.6329 55.3226 41.6620 176.7000 12 G 4.4209 7.5028 108.7736 43.9695 0.0000 171.3516 13 P 4.3899 0.0000 0.0000 63.8665 31.8962 176.4922 14 V 4.6226 7.8357 119.5604 62.3933 32.0233 175.0659 15 Q 4.9136 7.8124 123.8404 56.3986 31.8961 173.2844 16 G 4.2703 8.0450 106.6453 46.1522 0.0000 171.5888 17 I 5.1225 8.4158 119.6605 59.4277 41.0857 175.0779 18 I 4.6302 8.8393 127.4094 59.5326 40.2194 174.3882 19 N 4.8962 8.6687 125.4862 51.6618 40.8290 174.1326 20 F 5.3902 9.4600 120.8974 55.7971 43.0013 173.7557 21 E 5.3015 9.6104 123.2250 54.6744 33.5662 173.7339 22 Q 4.7100 9.1682 126.9972 54.5943 31.6359 175.9859 23 K 4.0735 9.0529 126.3756 58.6045 32.9056 176.9001 24 E 4.7923 7.6909 115.8746 53.8308 33.4790 174.7529 25 S 4.3401 8.5330 115.2978 59.7559 62.8272 174.1940 26 N 4.1925 8.9879 122.2867 53.7094 36.4701 174.4624 27 G 3.9311 7.7543 107.5153 44.0736 0.0000 171.7589 28 P 4.6257 0.0000 0.0000 62.4734 32.5678 176.4141 29 V 4.6230 8.8114 123.0021 61.1382 33.9118 174.7582 30 K 4.7557 9.2207 128.7683 56.1637 33.5310 176.1214 31 V 4.7236 9.3960 126.1561 60.8890 33.5839 174.2428 32 W 5.5624 9.0121 124.8728 54.5597 31.9839 175.7168 33 G 4.3218 7.4618 106.0492 46.1162 0.0000 170.8928 34 S 5.1534 7.6610 113.6421 56.9116 66.4369 174.2321 35 I 5.1544 8.5586 126.2552 59.3448 40.8373 174.7174 36 K 4.8310 9.3553 125.4784 55.6186 36.0906 176.9848 37 G 3.8430 8.9196 106.6470 45.5865 0.0000 173.4042 38 L 4.5123 7.4473 119.3870 53.0305 43.2532 176.2513 39 T 4.3607 8.1069 110.8792 60.7950 69.8167 174.2677 40 E 4.0994 8.7322 124.4339 57.1393 30.3959 175.6535 41 G 3.9562 8.2039 111.0982 43.7971 0.0000 172.3403 42 L 4.8153 8.1305 119.4660 54.9407 42.8110 176.7003 43 H 5.0431 9.0471 119.2025 53.6561 33.1225 173.1682 44 G 4.1431 9.1436 110.7343 47.2484 0.0000 172.2847 45 F 5.3200 9.3277 125.7292 56.7469 41.8698 172.8926 46 H 5.1817 8.6756 122.1159 53.9331 33.7695 172.8377 47 V 4.4650 8.5141 121.1159 62.2351 32.5151 175.2929 48 H 4.9371 9.7572 126.8636 54.9486 30.2182 176.3645 49 E 3.6659 9.4160 122.4169 58.9852 29.7636 176.9931 50 F 4.9989 8.0390 118.3536 54.9230 41.7282 176.5255 51 G 4.4489 8.4858 111.3406 44.8828 0.0000 173.6649 52 D 4.7455 8.0745 119.2854 52.5681 42.4577 174.4994 53 N 5.3355 8.7565 124.0690 52.6386 39.4979 175.9141 54 T 3.9418 8.7336 109.7782 63.7959 68.5467 174.7986 55 A 4.6440 8.0093 124.0000 51.3751 19.9706 177.6176 56 G 3.8760 8.0280 110.0383 46.8897 0.0000 174.5622 57 C 4.3168 8.6651 114.6495 60.1151 34.6406 175.8107 58 T 3.8699 7.9627 117.5701 66.5975 67.9061 175.7905 59 S 4.4624 7.9388 112.1061 59.5390 63.4469 175.2395 60 A 4.5373 7.5352 126.6552 54.1917 18.3131 178.6993 61 G 4.0763 8.0665 105.9564 44.3724 0.0000 170.4640 62 P 4.7479 0.0000 0.0000 61.8057 34.3323 174.8808 63 H 4.4876 8.4071 116.4083 55.7836 29.5643 175.5011 64 F 4.2420 9.0997 125.5428 58.4282 40.2212 174.8137 65 N 4.8351 7.9903 125.8213 51.4646 38.8218 172.9410 66 P 4.2062 0.0000 0.0000 64.8664 32.0840 177.9707 67 L 4.2486 7.6200 116.7176 53.8550 42.4886 176.1211 68 S 3.5858 7.4533 114.3081 59.9618 60.4697 170.5683 69 R 4.6114 8.7633 118.1656 54.1178 32.9161 176.3670 70 K 4.4591 9.0397 118.3227 55.8946 33.6686 176.6501 71 H 3.8654 8.7545 123.0967 56.9548 30.5360 174.8790 72 G 4.0400 7.2642 109.3824 46.5202 0.0000 172.6020 73 G 4.0866 9.0798 109.3126 43.8023 0.0000 173.3245 74 P 4.3895 0.0000 0.0000 65.0150 31.3402 177.8354 75 K 4.3388 7.8951 114.6499 56.4815 32.6138 176.1493 76 D 4.7470 7.6024 119.6609 52.9868 42.0074 176.4141 77 E 3.9647 8.7356 123.8468 59.1533 29.5390 176.9920 78 E 4.2810 7.8989 121.9756 54.7891 28.2331 174.7133 79 R 4.7340 7.4485 118.0965 54.8130 32.6948 175.2143 80 H 4.5234 9.6378 117.4649 55.1977 29.5346 176.9878 81 V 3.4480 8.3035 122.3128 66.0860 31.4258 177.1162 82 G 3.9212 8.0183 106.2416 45.6963 0.0000 173.0390 83 D 4.8131 7.9005 120.9379 53.7091 39.3673 175.7668 84 L 4.6347 8.4527 122.6658 53.9114 43.1217 178.7882 85 G 4.0245 7.9199 108.7208 46.8338 0.0000 174.1379 86 N 5.6603 8.7308 120.9632 51.3831 41.9441 173.3447 87 V 4.4214 8.4591 113.4633 59.8633 35.9911 174.8254 88 T 5.0133 8.1891 117.5835 61.8961 71.5293 172.9499 89 A 5.0407 8.7948 129.3895 50.7553 20.9552 177.3270 90 D 5.0046 8.8362 122.8516 52.1525 41.5948 176.9600 91 K 4.3310 8.4708 116.4384 59.5805 32.4991 177.1650 92 D 4.5038 8.2565 117.1179 54.1534 41.4288 176.9776 93 G 4.1425 8.5139 108.5101 44.5921 0.0000 172.5400 94 V 4.7209 8.3611 120.3692 60.8824 33.7490 174.3844 95 A 5.6186 8.8101 130.3333 49.7198 20.8539 175.4322 96 D 4.5563 8.6454 123.3895 54.0043 41.8202 176.4025 97 V 3.9711 8.4086 125.1196 61.7332 33.1752 175.0946 98 S 4.5600 8.5063 122.6659 57.3536 64.1384 172.5898 99 I 4.8293 9.4055 127.8029 59.2769 41.5174 174.2652 100 E 5.1624 8.7413 124.4947 54.6452 32.3834 174.2341 101 D 4.9113 9.0339 125.1112 52.9191 44.9639 175.6408 102 S 4.7087 8.8965 119.0938 58.4734 64.1245 175.2422 103 V 3.8795 8.3572 121.4780 65.1515 31.5827 176.5705 104 I 4.1987 7.8172 111.1391 60.9437 38.6517 174.4298 105 S 4.6225 8.1470 112.9608 57.7689 64.7698 174.5104 106 L 4.5531 8.6155 124.6224 54.5587 41.7508 176.5913 107 S 4.5248 7.8851 112.4759 58.2110 66.4453 175.9290 108 G 3.8447 8.5411 107.8834 44.8038 0.0000 173.5976 109 D 4.4121 8.7073 117.5336 57.5204 40.9594 176.8744 110 H 5.1200 7.9988 113.6061 55.5346 29.0213 174.4515 111 C 4.2696 7.8109 120.0252 60.2353 31.8429 173.5190 112 I 4.0125 8.3036 118.5447 60.3027 37.7612 175.2786 113 I 3.8020 7.2909 123.0236 62.8167 37.4470 176.3831 114 G 3.8254 9.2105 114.3203 45.1172 0.0000 173.2321 115 R 4.4775 7.3332 118.8908 55.2865 33.1353 174.7566 116 T 4.9679 8.0077 115.4654 62.0327 71.3887 173.5033 117 L 4.7316 8.5253 128.7650 53.8627 44.0039 175.3120 118 V 4.9706 8.7797 126.2393 60.9539 35.0877 174.1990 119 V 5.0111 8.5273 126.6218 60.4955 33.7232 174.7057 120 H 5.2658 8.9589 121.1994 54.1374 30.7517 174.7337 121 E 4.1772 9.2371 121.8615 59.1632 29.9614 176.6731 122 K 4.7509 8.4603 117.4566 53.8983 35.9195 175.5588 123 A 4.4165 8.3671 123.5716 52.1213 18.8891 176.6759 124 D 4.7500 9.3407 121.9391 53.5913 41.5384 176.2135 125 D 4.5589 9.2119 126.0016 53.2555 39.6084 176.8035 126 L 3.5782 9.5757 118.5917 56.0324 39.6738 175.4285 127 G 3.9519 8.9492 105.1731 45.7707 0.0000 174.6636 128 K 4.5051 7.8232 117.1764 55.9682 32.1656 177.9794 129 G 3.6692 7.9154 110.7301 46.2370 0.0000 175.8106 130 G 3.9113 8.4452 106.7540 45.2789 0.0000 172.0502 131 N 4.8977 7.6697 117.6570 51.1819 40.4779 174.8843 *132 E 4.3335 8.3302 110.3262 55.6268 31.7385 175.1089 133 E 4.0584 8.4536 120.4729 59.3679 29.6129 178.8684 134 S 4.1241 8.3517 113.5407 61.5391 62.3999 175.5960 135 T 4.3310 7.6239 108.5498 62.4212 68.4605 175.4392 136 K 4.3120 7.6560 120.0398 57.8568 33.7798 176.7616 137 T 4.1619 7.8363 105.4925 59.9905 70.2426 174.6890 138 G 3.7801 8.1369 110.2886 46.2339 0.0000 173.7396 139 N 4.3202 8.1180 113.7408 53.8279 36.2660 176.0015 140 A 3.9618 7.6391 120.1493 52.8451 19.3178 180.0548 141 G 3.8011 7.3895 104.0592 45.0812 0.0000 173.5507 142 S 4.3578 8.2915 115.1119 58.9184 64.5840 174.3094 143 R 4.4690 8.3192 119.7696 54.8799 30.2877 176.4019 144 L 4.2946 8.7267 125.8933 57.4475 42.9742 177.2242 145 A 5.1428 7.6682 118.0265 51.2751 22.8334 173.9425 146 C 5.6161 8.4959 112.5035 56.1139 45.2767 172.8726 147 G 4.9273 8.0944 105.0668 45.9279 0.0000 172.1535 148 V 4.4907 8.1781 120.5869 62.1248 32.8121 175.5298 149 I 4.1006 8.8584 129.2749 60.9936 37.9676 175.3549 150 G 4.4499 9.1159 114.5748 43.8766 0.0000 171.9670 151 I 4.3446 8.2949 121.4212 61.1093 37.5470 175.6743 152 A 4.7716 8.3597 128.5239 49.7299 21.9436 176.3685 153 Q 4.0698 8.4660 118.7075 56.4621 29.2211 175.8931 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 A 8.26 4.66 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 2 T 8.78 4.54 4.26 0.00 0.00 0.00 0.00 0.00 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 3 K 8.87 5.34 0.00 1.75 1.71 0.00 1.96 0.00 0.00 1.95 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.49 7.81 4 A 9.37 5.39 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 5 V 9.02 5.06 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 0.72 0.00 0.00 0.93 0.00 0.00 6 C 9.25 5.13 0.00 3.10 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 7 V 8.40 4.66 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 0.92 0.00 0.00 8 L 8.80 4.77 0.00 1.92 1.59 0.96 0.88 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 9 K 9.12 4.76 0.00 1.63 1.62 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.37 7.81 10 G 8.06 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 0.00 0.00 0.00 0.00 11 D 8.77 4.56 0.00 2.68 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 12 G 7.50 4.42 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 13 P 0.00 4.39 0.00 2.05 2.10 0.00 3.68 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 14 V 7.84 4.62 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 0.83 0.00 0.00 0.95 0.00 0.00 15 Q 7.81 4.91 0.00 2.22 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.44 0.00 0.00 0.00 0.00 0.00 2.31 2.19 0.00 16 G 8.04 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 I 8.42 5.12 1.81 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 1.20 0.87 0.82 0.00 0.00 18 I 8.84 4.63 1.90 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 1.27 1.32 0.46 0.00 0.00 19 N 8.67 4.90 0.00 1.44 1.47 0.00 0.00 6.34 8.01 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 20 F 9.46 5.39 0.00 2.98 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 21 E 9.61 5.30 0.00 2.55 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 2.32 2.42 0.00 22 Q 9.17 4.71 0.00 2.21 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.61 0.00 0.00 0.00 0.00 0.00 2.44 2.55 0.00 23 K 9.05 4.07 0.00 1.81 1.86 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.83 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.46 1.48 7.81 24 E 7.69 4.79 0.00 1.95 1.79 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 2.30 2.21 0.00 25 S 8.53 4.34 0.00 3.84 3.78 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 26 N 8.99 4.19 0.00 2.92 2.93 0.00 0.00 7.00 7.65 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 27 G 7.75 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 28 P 0.00 4.63 0.00 1.98 2.03 0.00 3.66 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 29 V 8.81 4.62 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 1.30 0.00 0.00 1.04 0.00 0.00 30 K 9.22 4.76 0.00 1.92 1.80 0.00 1.46 0.00 0.00 1.30 0.00 0.00 2.72 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.45 1.40 7.81 31 V 9.40 4.72 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 0.78 0.00 0.00 1.10 0.00 0.00 32 W 9.01 5.56 0.00 3.48 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 33 G 7.46 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 0.00 0.00 0.00 0.00 34 S 7.66 5.15 0.00 3.85 3.62 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.56 5.15 1.83 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 1.30 0.62 0.96 0.00 0.00 36 K 9.36 4.83 0.00 1.73 1.88 0.00 1.33 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.41 1.34 7.81 37 G 8.92 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 0.00 0.00 0.00 38 L 7.45 4.51 0.00 1.81 1.40 0.84 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.11 4.36 4.28 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 1.24 0.00 0.00 40 E 8.73 4.10 0.00 2.03 1.89 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 2.39 2.49 0.00 41 G 8.20 3.96 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 0.00 0.00 0.00 42 L 8.13 4.82 0.00 1.50 1.59 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 43 H 9.05 5.04 0.00 3.06 3.30 0.00 5.64 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 44 G 9.14 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 45 F 9.33 5.32 0.00 3.01 3.03 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 46 H 8.68 5.18 0.00 3.07 3.07 0.00 5.85 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 47 V 8.51 4.47 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 0.96 0.00 0.00 0.90 0.00 0.00 48 H 9.76 4.94 0.00 2.98 3.42 0.00 5.69 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 9.42 3.67 0.00 1.70 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 0.00 0.00 0.00 1.47 2.11 0.00 50 F 8.04 5.00 0.00 3.02 2.84 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 51 G 8.49 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 52 D 8.07 4.75 0.00 2.64 2.84 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 53 N 8.76 5.34 0.00 2.80 2.69 0.00 0.00 7.41 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 54 T 8.73 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 1.24 0.00 0.00 55 A 8.01 4.64 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.03 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 C 8.67 4.32 0.00 2.96 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 58 T 7.96 3.87 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 1.23 0.00 0.00 59 S 7.94 4.46 0.00 4.14 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 60 A 7.54 4.54 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 61 G 8.07 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 0.00 0.00 0.00 62 P 0.00 4.75 0.00 2.03 2.20 0.00 3.58 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.98 0.00 63 H 8.41 4.49 0.00 2.86 3.19 0.00 5.73 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 64 F 9.10 4.24 0.00 2.97 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 65 N 7.99 4.84 0.00 2.57 2.43 0.00 0.00 6.92 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 66 P 0.00 4.21 0.00 2.08 1.97 0.00 2.92 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.16 0.00 67 L 7.62 4.25 0.00 1.56 1.69 0.90 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 68 S 7.45 3.59 0.00 3.98 3.86 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 69 R 8.76 4.61 0.00 1.71 1.98 0.00 3.12 0.00 0.00 3.40 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 70 K 9.04 4.46 0.00 1.60 1.70 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.57 1.52 7.81 71 H 8.75 3.87 0.00 3.20 3.26 0.00 5.99 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 G 7.26 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 0.00 0.00 0.00 0.00 73 G 9.08 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 0.00 0.00 0.00 74 P 0.00 4.39 0.00 2.08 2.18 0.00 3.69 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.23 0.00 75 K 7.90 4.34 0.00 1.74 1.84 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.46 7.81 76 D 7.60 4.75 0.00 2.75 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 E 8.74 3.96 0.00 1.92 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 2.28 2.29 0.00 78 E 7.90 4.28 0.00 2.06 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 2.33 2.31 0.00 79 R 7.45 4.73 0.00 1.82 1.84 0.00 2.96 0.00 0.00 2.61 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.56 0.00 80 H 9.64 4.52 0.00 3.45 3.36 0.00 5.65 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 81 V 8.30 3.45 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 0.85 0.00 0.00 0.43 0.00 0.00 82 G 8.02 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 D 7.90 4.81 0.00 2.79 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 84 L 8.45 4.63 0.00 2.02 1.93 0.99 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 85 G 7.92 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 0.00 0.00 0.00 86 N 8.73 5.66 0.00 2.60 2.72 0.00 0.00 6.56 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 87 V 8.46 4.42 1.81 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 -0.17 0.00 0.00 0.84 0.00 0.00 88 T 8.19 5.01 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 1.20 0.00 0.00 89 A 8.79 5.04 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 90 D 8.84 5.00 0.00 2.87 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 91 K 8.47 4.33 0.00 1.88 1.99 0.00 1.17 0.00 0.00 0.64 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.40 1.42 7.81 92 D 8.26 4.50 0.00 2.83 2.74 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 93 G 8.51 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 94 V 8.36 4.72 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 0.88 0.00 0.00 0.92 0.00 0.00 95 A 8.81 5.62 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 D 8.65 4.56 0.00 2.56 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 97 V 8.41 3.97 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 0.70 0.00 0.00 0.65 0.00 0.00 98 S 8.51 4.56 0.00 3.88 3.71 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 99 I 9.41 4.83 1.96 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 1.13 0.60 1.01 0.00 0.00 100 E 8.74 5.16 0.00 1.94 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 2.21 2.31 0.00 101 D 9.03 4.91 0.00 2.91 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 0.00 102 S 8.90 4.71 0.00 3.90 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 V 8.36 3.88 2.27 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 0.75 0.00 0.00 0.95 0.00 0.00 104 I 7.82 4.20 1.96 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.83 1.04 0.00 0.00 105 S 8.15 4.62 0.00 3.90 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 0.00 106 L 8.62 4.55 0.00 1.89 1.68 1.07 0.66 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 0.00 107 S 7.89 4.52 0.00 3.90 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 0.00 108 G 8.54 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 0.00 0.00 0.00 109 D 8.71 4.41 0.00 2.61 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 0.00 110 H 8.00 5.12 0.00 3.17 3.43 0.00 5.74 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 C 7.81 4.27 0.00 3.26 2.84 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 0.00 112 I 8.30 4.01 1.63 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.25 0.98 0.00 0.00 113 I 7.29 3.80 1.79 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.74 0.84 0.00 0.00 114 G 9.21 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 0.00 0.00 0.00 115 R 7.33 4.48 0.00 1.66 1.82 0.00 2.21 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.33 0.00 116 T 8.01 4.97 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 1.25 0.00 0.00 117 L 8.53 4.73 0.00 1.78 1.52 0.45 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 118 V 8.78 4.97 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 0.75 0.00 0.00 0.75 0.00 0.00 119 V 8.53 5.01 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 0.76 0.00 0.00 1.03 0.00 0.00 120 H 8.96 5.27 0.00 3.20 3.55 0.00 5.66 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 E 9.24 4.18 0.00 2.02 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 2.37 2.34 0.00 122 K 8.46 4.75 0.00 1.74 1.70 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.36 1.39 7.81 123 A 8.37 4.42 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 D 9.34 4.75 0.00 2.72 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 0.00 125 D 9.21 4.56 0.00 2.92 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 0.00 126 L 9.58 3.58 0.00 1.81 1.79 0.94 1.13 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 0.00 127 G 8.95 3.95 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 0.00 0.00 0.00 128 K 7.82 4.51 0.00 1.86 1.82 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.36 7.81 129 G 7.92 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 G 8.45 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 0.00 131 N 7.67 4.90 0.00 2.79 2.78 0.00 0.00 5.99 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 *132 E 8.33 4.33 0.00 1.89 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 2.21 2.37 0.00 133 E 8.45 4.06 0.00 2.06 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 2.43 2.40 0.00 134 S 8.35 4.12 0.00 4.16 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 0.00 135 T 7.62 4.33 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 0.00 136 K 7.66 4.31 0.00 1.84 1.80 0.00 1.67 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.33 1.57 7.81 137 T 7.84 4.16 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 138 G 8.14 3.78 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 0.00 0.00 0.00 139 N 8.12 4.32 0.00 3.01 2.88 0.00 0.00 6.92 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 0.00 140 A 7.64 3.96 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 0.00 141 G 7.39 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 0.00 142 S 8.29 4.36 0.00 3.97 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 0.00 143 R 8.32 4.47 0.00 1.66 1.82 0.00 3.19 0.00 0.00 3.14 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.65 0.00 144 L 8.73 4.29 0.00 1.62 1.70 0.98 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 145 A 7.67 5.14 1.16 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 0.00 146 C 8.50 5.62 0.00 3.00 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 0.00 147 G 8.09 4.93 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 0.00 148 V 8.18 4.49 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 0.83 0.00 0.00 0.95 0.00 0.00 149 I 8.86 4.10 1.76 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.41 0.38 0.00 0.00 150 G 9.12 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 0.00 151 I 8.29 4.34 1.86 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 1.25 0.54 0.91 0.00 0.00 152 A 8.36 4.77 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 Q 8.47 4.07 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.77 6.60 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.