NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3046 8.3049 120.3271 56.1028 33.7520 174.0288 2 T 3.8402 7.3583 113.3272 62.2164 72.9044 171.2282 3 Y 4.9035 8.6748 124.6079 56.3863 40.8278 174.3992 4 W 5.5552 9.0892 121.8298 54.9737 34.5046 173.7583 5 I 4.7403 8.6632 122.3611 59.5273 40.0972 173.8067 6 C 4.7168 8.7299 127.6630 58.0846 30.0677 172.7505 7 I 4.8571 8.8766 125.3732 60.5777 38.0791 174.7394 8 T 4.7887 9.2430 123.7082 61.0256 71.2219 171.2760 9 N 5.4246 8.5759 116.4430 50.4917 40.8188 175.0169 10 R 4.1319 9.2113 116.8125 59.4396 29.8594 179.0705 11 E 4.0235 8.2133 118.7448 59.4331 29.7388 178.4157 12 N 4.6370 8.4535 115.9641 55.5601 38.5185 177.2794 13 W 4.5657 8.5499 130.6277 60.5057 30.7827 177.5908 14 E 3.5112 8.0735 119.5659 58.9038 29.0357 179.0704 15 V 3.5174 7.3543 117.7309 65.9620 31.5995 177.7788 16 I 3.9142 8.0623 119.8164 64.6798 36.8519 178.2431 17 K 3.8981 7.6285 120.2229 58.9534 31.9176 178.6670 18 R 4.0294 7.6995 117.4857 58.6692 30.2085 177.6774 19 H 4.5590 8.6617 113.3924 54.4143 30.5046 174.3617 20 N 4.3568 8.5259 118.6100 54.1132 36.5027 173.9613 21 V 5.0107 7.5212 114.8238 61.0490 35.5844 174.4538 22 W 4.9362 9.2162 135.0000 55.6376 32.7145 174.5883 23 G 4.0992 7.4151 113.0957 44.3327 0.0000 171.7869 24 V 4.5054 8.2795 113.4154 58.5364 36.6990 173.7639 25 P 4.5401 0.0000 0.0000 61.7082 32.3082 177.5551 26 K 3.2159 8.8024 120.8592 59.3212 32.0931 178.8675 27 K 3.7424 7.9662 116.5508 59.5037 32.4139 176.9895 28 H 4.8924 7.9704 115.5288 55.2754 29.2682 176.5366 29 K 3.6989 7.8091 123.4843 59.6550 31.7747 178.5683 30 N 4.2094 7.8783 117.2123 56.9798 39.2688 176.3681 31 T 4.0442 7.8395 116.5320 66.6725 68.6269 176.2341 32 L 3.8020 7.6646 122.4128 57.7776 41.8250 178.9647 33 S 4.2326 7.6337 112.8658 60.7335 62.9540 175.8936 34 R 4.2920 7.7073 120.4130 56.4937 30.4807 176.9187 35 V 4.0481 7.1156 119.5089 62.6018 32.2358 175.2180 36 K 4.7686 9.4322 125.8328 53.4516 35.5511 173.9745 37 P 4.5771 0.0000 0.0000 64.3213 31.6172 176.2832 38 G 4.1288 9.0485 111.7596 45.1433 0.0000 173.9380 39 D 4.5442 8.1728 119.1537 54.6809 42.3434 175.7757 40 K 5.0691 8.3842 119.6780 54.8797 35.1112 175.4043 41 L 5.2531 9.3547 123.6399 53.0235 45.0613 175.5595 42 V 4.6391 9.1451 124.8450 61.6237 33.1297 174.6424 43 I 4.2434 8.7229 130.4058 60.6077 38.5217 174.2447 44 Y 4.9549 8.8502 128.6014 55.7363 41.7179 174.3775 45 V 4.9326 7.8790 120.1546 59.3823 33.9974 176.1018 46 R 4.4148 8.6031 122.5336 55.3581 30.8009 176.0581 47 Q 4.3601 8.5744 121.1351 56.7019 29.6763 174.8300 48 E 4.8832 9.5527 124.7774 54.9188 35.0184 173.8979 49 K 5.2281 8.3982 119.5032 54.4790 34.6621 176.6786 50 D 4.6412 8.7296 124.8121 52.7810 40.2790 177.5675 51 K 3.9294 8.6137 118.1670 59.6322 31.9454 178.5858 52 E 3.9054 8.1425 117.7126 57.8705 29.4945 177.3875 53 G 4.0602 8.0615 105.8702 44.9896 0.0000 173.5165 54 N 4.5929 8.8230 118.3702 52.9102 39.9778 174.0552 55 L 4.6125 8.4574 124.7288 54.7879 43.2580 176.0421 56 L 4.6761 9.4001 128.7907 52.7682 42.6117 176.1014 57 E 4.5319 8.6728 122.3639 55.2659 30.6544 175.1261 58 P 4.5249 0.0000 0.0000 63.1812 32.8154 174.9911 59 K 4.6020 7.7549 118.4857 56.5611 36.4748 173.5879 60 I 4.4820 8.1793 122.3411 60.7022 38.1640 176.8766 61 V 4.4425 8.6828 118.7915 59.3166 33.2821 175.5301 62 G 4.1570 6.8241 109.1937 46.3920 0.0000 171.3408 63 I 5.4623 8.6222 120.1348 59.8124 40.9915 174.7891 64 Y 5.1550 9.6610 123.2457 56.1668 42.2276 173.7239 65 E 5.0238 9.4666 121.2876 54.3321 32.9118 175.2068 66 V 4.3006 8.8776 127.2947 63.3209 32.4970 176.1230 67 T 4.8329 9.1843 116.3052 61.2646 70.0254 173.3691 68 S 4.8797 7.9635 115.4184 56.5978 66.5749 173.4091 69 E 4.4520 8.7519 119.5746 55.1522 30.3930 175.1031 70 P 4.7843 0.0000 0.0000 63.5447 32.2666 175.0369 71 Y 4.9352 8.9058 120.5975 55.9894 42.2909 173.2951 72 V 4.4256 8.2941 118.7156 61.0817 34.1112 174.4388 73 D 4.4984 8.2752 126.5062 53.5149 44.6681 175.2102 74 F 4.4423 8.9372 124.3019 57.0803 39.3016 176.0222 75 S 4.2117 8.5810 116.5943 59.1638 63.1465 175.7294 76 R 4.3629 8.2872 123.6484 55.0310 28.3923 175.6995 77 I 3.8620 7.3943 113.0068 61.7211 39.1039 177.1107 78 F 4.6651 7.6342 118.6599 56.2757 40.5520 174.7165 79 K 4.6845 8.7158 120.9123 54.8151 36.5068 175.0031 80 P 4.5687 0.0000 0.0000 63.2502 30.1994 178.0567 *83 G 3.9836 9.3418 114.8598 45.7058 0.0000 173.1310 84 G 4.2174 7.7194 108.9216 44.2985 0.0000 172.9618 85 K 4.6455 8.0682 114.9526 56.0007 32.7752 176.1432 86 E 4.0037 8.1004 119.4039 57.2631 30.3566 175.7990 87 T 4.3771 8.0301 113.1642 60.6931 70.9279 173.3129 88 Y 3.6680 7.5750 118.8269 57.6682 35.5418 168.8961 89 P 4.6793 0.0000 0.0000 64.7692 33.2630 177.2019 90 Y 4.4379 7.5905 118.6971 57.2082 38.6473 174.7243 91 R 5.0491 8.4232 123.0230 54.3228 35.3318 174.8979 92 V 4.9416 8.2996 112.4856 59.6574 36.1340 175.7339 93 K 5.0025 9.8430 124.5353 56.7161 33.4208 175.9324 94 I 5.3930 8.4312 115.6532 59.8513 41.4402 173.9969 95 K 5.0135 9.3150 120.8316 54.5175 36.1410 173.7899 96 P 3.0892 0.0000 0.0000 62.9374 31.4986 175.5257 97 I 4.2149 8.5279 124.9622 62.6562 38.5397 176.0813 98 K 4.6470 7.6498 121.4351 54.8867 35.9490 174.4565 99 I 4.9368 8.0179 126.5567 60.0425 39.2928 175.0276 100 G 4.2280 8.2704 111.6783 45.5396 0.0000 171.5354 101 E 5.8312 9.2441 120.0723 53.5412 32.2350 175.2866 102 I 4.6993 7.9750 114.5970 58.9343 41.2109 174.3301 103 N 4.6480 8.8655 122.9878 53.6628 39.2779 175.5014 104 F 4.2550 8.8971 124.3713 60.8439 39.5083 177.7673 105 K 3.4203 8.0374 117.8406 59.2791 31.6880 177.0771 106 P 4.1354 0.0000 0.0000 64.8987 31.4846 177.6557 107 L 4.1465 7.4668 116.9496 55.4643 41.6137 178.4824 108 I 3.2585 6.9656 120.7773 64.5170 36.8102 177.8469 109 N 4.2653 7.8630 114.6771 55.9979 38.5557 175.8332 110 D 4.4633 7.7347 116.2846 55.1544 41.5276 176.4781 111 L 4.2669 7.4172 120.8401 53.6923 41.8563 177.7028 112 K 3.9575 9.1555 126.2095 59.2555 32.3760 178.0063 113 F 4.2752 9.0359 113.3644 59.0497 37.8328 175.5057 114 I 3.4738 6.3683 122.5277 59.6048 35.6452 175.9678 115 K 3.9287 8.0871 124.2673 59.1209 31.8815 178.1417 116 N 4.7094 8.1742 123.6317 51.9438 37.9077 175.2639 117 K 4.0971 8.5711 125.6649 59.1955 32.5908 178.7852 118 K 4.0546 8.3500 118.7235 59.3120 32.8475 177.3092 119 R 4.6209 8.6093 117.5435 54.4255 29.7126 177.1331 120 W 4.5887 8.3241 119.7535 58.9915 28.6364 178.1716 121 S 3.7938 7.2024 114.7262 61.5881 61.4750 175.8805 122 M 3.9965 7.9255 121.5264 59.1123 31.6270 177.3670 123 H 4.4288 8.7616 113.9002 57.0944 29.4709 176.3634 124 F 4.6199 8.8057 119.5490 56.5153 39.8686 175.3205 125 F 3.9790 7.5315 120.9746 59.4959 39.2828 174.6983 126 G 3.9795 8.2445 116.0147 46.4880 0.0000 172.7849 127 K 4.4923 7.8894 117.4289 54.1736 34.9469 176.3421 128 A 4.4382 8.1638 125.0191 54.3848 19.7509 176.9001 129 M 5.2515 7.4790 109.6478 54.5908 33.9968 174.4628 130 R 4.9052 8.7280 115.6386 54.4637 33.4102 173.9775 131 E 3.8914 8.8423 121.9038 56.3926 30.3431 175.7060 132 L 4.5893 8.4346 126.1809 52.1074 44.3697 174.9734 133 P 4.3962 0.0000 0.0000 61.9937 32.4057 176.7746 134 E 3.5283 9.0815 122.4285 59.6934 29.2124 179.1958 135 E 3.9050 8.1573 117.6029 59.6876 29.5838 178.8263 136 D 4.3738 8.1112 118.0981 57.5751 40.9423 178.1149 137 Y 3.9017 7.7976 119.7000 60.6853 38.6781 178.2558 138 K 3.6407 8.0845 119.4847 59.2616 32.1557 178.7702 139 L 3.8463 8.0039 120.7003 58.4314 41.9544 179.2499 140 I 3.6051 7.5082 119.4128 64.1793 36.7912 177.8606 141 E 3.6446 7.8810 119.3167 59.1640 29.6380 178.8250 142 K 4.0318 8.1601 118.5371 59.6183 32.0248 179.4251 143 L 4.0826 7.6426 117.2301 56.6010 41.5239 178.2465 144 L 4.5083 7.1653 118.2758 54.3870 42.3496 175.6432 145 L 4.0971 7.6761 124.9002 55.8989 41.9943 176.3793 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 4.30 0.00 1.64 1.91 0.00 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.18 0.00 2 T 7.36 3.84 4.49 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 0.11 0.00 0.00 3 Y 8.67 4.90 0.00 2.92 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 4 W 9.09 5.56 0.00 3.05 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 5 I 8.66 4.74 1.70 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 1.07 1.62 0.52 0.00 0.00 6 C 8.73 4.72 0.00 1.82 1.18 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 7 I 8.88 4.86 1.98 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 1.23 0.30 1.11 0.00 0.00 8 T 9.24 4.79 4.58 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 1.41 0.00 0.00 9 N 8.58 5.42 0.00 3.33 2.94 0.00 0.00 6.00 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 10 R 9.21 4.13 0.00 1.95 2.15 0.00 3.26 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.81 0.00 11 E 8.21 4.02 0.00 2.10 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.45 0.00 12 N 8.45 4.64 0.00 2.99 2.91 0.00 0.00 6.68 9.01 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 13 W 8.55 4.57 0.00 3.41 3.38 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 14 E 8.07 3.51 0.00 2.01 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 2.25 2.27 0.00 15 V 7.35 3.52 2.35 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 0.27 0.00 0.00 0.99 0.00 0.00 16 I 8.06 3.91 2.37 0.00 0.00 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 1.99 0.99 1.04 0.00 0.00 17 K 7.63 3.90 0.00 0.79 1.46 0.00 1.44 0.00 0.00 1.02 0.00 0.00 2.13 0.00 0.00 2.33 0.00 0.00 0.00 0.00 1.19 1.18 7.81 18 R 7.70 4.03 0.00 1.89 1.80 0.00 3.14 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.74 0.00 19 H 8.66 4.56 0.00 3.03 3.28 0.00 5.81 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 N 8.53 4.36 0.00 2.96 3.15 0.00 0.00 6.25 7.43 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 21 V 7.52 5.01 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 0.89 0.00 0.00 1.13 0.00 0.00 22 W 9.22 4.94 0.00 3.40 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 23 G 7.42 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 0.00 0.00 0.00 24 V 8.28 4.51 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.91 0.00 0.00 25 P 0.00 4.54 0.00 2.14 2.04 0.00 3.70 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.17 0.00 26 K 8.80 3.22 0.00 2.00 1.82 0.00 1.86 0.00 0.00 1.89 0.00 0.00 2.91 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.36 1.25 7.81 27 K 7.97 3.74 0.00 1.74 1.83 0.00 1.47 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.19 0.87 7.81 28 H 7.97 4.89 0.00 3.17 3.25 0.00 5.62 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 K 7.81 3.70 0.00 1.10 1.09 0.00 1.12 0.00 0.00 1.18 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.18 1.21 7.81 30 N 7.88 4.21 0.00 2.67 2.86 0.00 0.00 6.99 7.70 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 31 T 7.84 4.04 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 1.28 0.00 0.00 32 L 7.66 3.80 0.00 1.61 1.74 0.87 0.84 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 33 S 7.63 4.23 0.00 4.11 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 34 R 7.71 4.29 0.00 2.27 2.31 0.00 3.32 0.00 0.00 3.24 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.72 0.00 35 V 7.12 4.05 2.04 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 0.61 0.00 0.00 0.10 0.00 0.00 36 K 9.43 4.77 0.00 1.77 1.67 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.60 1.55 7.81 37 P 0.00 4.58 0.00 2.06 2.04 0.00 3.67 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 2.06 2.18 0.00 38 G 9.05 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 0.00 0.00 0.00 0.00 39 D 8.17 4.54 0.00 2.81 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 40 K 8.38 5.07 0.00 1.60 1.63 0.00 1.53 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.59 7.81 41 L 9.35 5.25 0.00 1.57 1.37 0.77 0.72 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 42 V 9.15 4.64 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 1.14 0.00 0.00 43 I 8.72 4.24 1.40 0.00 0.00 0.63 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 0.79 0.55 0.00 0.00 44 Y 8.85 4.95 0.00 2.93 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 45 V 7.88 4.93 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.76 0.00 0.00 46 R 8.60 4.41 0.00 1.95 2.21 0.00 3.12 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.62 0.00 47 Q 8.57 4.36 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.83 0.00 0.00 0.00 0.00 0.00 2.37 2.59 0.00 48 E 9.55 4.88 0.00 1.87 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 0.00 2.24 2.53 0.00 49 K 8.40 5.23 0.00 1.61 1.71 0.00 1.87 0.00 0.00 1.77 0.00 0.00 2.80 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.40 7.81 50 D 8.73 4.64 0.00 2.86 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 51 K 8.61 3.93 0.00 1.78 1.93 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.46 1.45 7.81 52 E 8.14 3.91 0.00 1.93 2.26 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 2.30 2.39 0.00 53 G 8.06 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 54 N 8.82 4.59 0.00 2.73 2.76 0.00 0.00 6.57 6.67 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 55 L 8.46 4.61 0.00 1.65 1.59 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 56 L 9.40 4.68 0.00 1.63 1.61 0.96 0.67 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 57 E 8.67 4.53 0.00 2.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 58 P 0.00 4.52 0.00 1.92 2.21 0.00 3.80 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.24 0.00 59 K 7.75 4.60 0.00 1.85 1.81 0.00 1.32 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.26 1.18 7.81 60 I 8.18 4.48 1.91 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 1.41 0.85 0.96 0.00 0.00 61 V 8.68 4.44 1.54 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 0.70 0.00 0.00 -0.66 0.00 0.00 62 G 6.82 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 63 I 8.62 5.46 1.94 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.71 1.17 0.00 0.00 64 Y 9.66 5.16 0.00 2.90 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 65 E 9.47 5.02 0.00 2.02 1.82 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 2.23 2.49 0.00 66 V 8.88 4.30 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 1.08 0.00 0.00 0.96 0.00 0.00 67 T 9.18 4.83 4.29 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 1.34 0.00 0.00 68 S 7.96 4.88 0.00 3.88 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 69 E 8.75 4.45 0.00 1.94 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 70 P 0.00 4.78 0.00 1.96 1.98 0.00 3.70 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.10 0.00 71 Y 8.91 4.94 0.00 2.91 3.02 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 72 V 8.29 4.43 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 0.00 0.00 0.84 0.00 0.00 73 D 8.28 4.50 0.00 2.98 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 F 8.94 4.44 0.00 3.08 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 75 S 8.58 4.21 0.00 3.91 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 76 R 8.29 4.36 0.00 1.83 1.95 0.00 3.21 0.00 0.00 3.29 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 77 I 7.39 3.86 1.16 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 -0.36 0.61 0.00 0.00 78 F 7.63 4.67 0.00 3.31 3.15 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 79 K 8.72 4.68 0.00 1.73 1.76 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.43 1.60 7.81 80 P 0.00 4.57 0.00 2.21 1.53 0.00 3.76 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.22 0.00 *83 G 9.34 3.98 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 0.00 0.00 0.00 84 G 7.72 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 0.00 0.00 0.00 0.00 85 K 8.07 4.65 0.00 1.79 1.80 0.00 1.56 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.27 1.38 7.81 86 E 8.10 4.00 0.00 1.66 1.44 0.00 0.00 0.00 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 1.47 0.00 87 T 8.03 4.38 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 1.27 0.00 0.00 88 Y 7.58 3.67 0.00 2.87 2.48 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 89 P 0.00 4.68 0.00 0.49 1.01 0.00 3.78 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.44 0.00 90 Y 7.59 4.44 0.00 2.98 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 91 R 8.42 5.05 0.00 0.67 1.52 0.00 2.82 0.00 0.00 3.12 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.32 0.00 92 V 8.30 4.94 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 0.79 0.00 0.00 1.06 0.00 0.00 93 K 9.84 5.00 0.00 1.75 1.82 0.00 1.83 0.00 0.00 1.78 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.63 1.53 7.81 94 I 8.43 5.39 2.22 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.79 1.11 0.00 0.00 95 K 9.32 5.01 0.00 1.84 1.97 0.00 1.34 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.42 7.81 96 P 0.00 3.09 0.00 1.77 1.42 0.00 3.75 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.97 0.00 97 I 8.53 4.21 2.06 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.61 0.95 0.00 0.00 98 K 7.65 4.65 0.00 1.82 1.58 0.00 1.54 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.57 1.54 7.81 99 I 8.02 4.94 1.97 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.84 1.20 0.00 0.00 100 G 8.27 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 0.00 101 E 9.24 5.83 0.00 1.93 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.13 0.00 102 I 7.97 4.70 1.85 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 1.34 0.92 0.89 0.00 0.00 103 N 8.87 4.65 0.00 2.69 2.77 0.00 0.00 6.99 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 0.00 104 F 8.90 4.26 0.00 3.09 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 0.00 105 K 8.04 3.42 0.00 1.74 1.74 0.00 1.77 0.00 0.00 1.83 0.00 0.00 3.03 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.45 1.53 7.81 106 P 0.00 4.14 0.00 1.90 2.04 0.00 3.57 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.11 0.00 107 L 7.47 4.15 0.00 1.18 1.44 0.85 0.53 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 0.00 108 I 6.97 3.26 1.59 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.07 0.69 0.00 0.00 109 N 7.86 4.27 0.00 2.61 2.81 0.00 0.00 6.89 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 0.00 110 D 7.73 4.46 0.00 2.69 2.65 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 0.00 111 L 7.42 4.27 0.00 1.53 1.67 0.86 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 112 K 9.16 3.96 0.00 1.75 1.98 0.00 1.79 0.00 0.00 2.09 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.44 7.81 113 F 9.04 4.28 0.00 3.13 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 0.00 114 I 6.37 3.47 1.68 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 0.56 -0.36 0.97 0.00 0.00 115 K 8.09 3.93 0.00 1.82 1.93 0.00 1.72 0.00 0.00 1.63 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.50 7.81 116 N 8.17 4.71 0.00 2.78 2.80 0.00 0.00 7.09 6.57 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 0.00 117 K 8.57 4.10 0.00 1.82 1.88 0.00 1.84 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.36 7.81 118 K 8.35 4.05 0.00 1.75 2.15 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.51 7.81 119 R 8.61 4.62 0.00 1.82 1.77 0.00 3.14 0.00 0.00 3.20 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 120 W 8.32 4.59 0.00 3.81 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 S 7.20 3.79 0.00 3.82 3.45 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 0.00 122 M 7.93 4.00 0.00 2.15 2.05 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.43 0.00 123 H 8.76 4.43 0.00 3.56 3.54 0.00 5.68 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 0.00 124 F 8.81 4.62 0.00 3.18 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 0.00 125 F 7.53 3.98 0.00 3.20 3.01 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 0.00 126 G 8.24 3.98 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 0.00 0.00 0.00 127 K 7.89 4.49 0.00 1.93 1.64 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.58 1.51 7.81 128 A 8.16 4.44 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 0.00 129 M 7.48 5.25 0.00 2.08 1.94 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.53 0.00 130 R 8.73 4.91 0.00 1.83 1.94 0.00 2.81 0.00 0.00 2.86 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.21 0.00 131 E 8.84 3.89 0.00 1.28 1.61 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 0.00 1.97 1.83 0.00 132 L 8.43 4.59 0.00 1.43 1.45 0.95 0.23 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 0.00 133 P 0.00 4.40 0.00 2.19 1.96 0.00 3.79 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 2.37 2.13 0.00 134 E 9.08 3.53 0.00 2.11 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 135 E 8.16 3.91 0.00 2.04 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 2.39 2.41 0.00 136 D 8.11 4.37 0.00 2.98 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 0.00 137 Y 7.80 3.90 0.00 2.69 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.08 3.64 0.00 1.87 1.77 0.00 1.74 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.57 7.81 139 L 8.00 3.85 0.00 1.68 1.82 0.86 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 140 I 7.51 3.61 1.82 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.63 0.86 0.00 0.00 141 E 7.88 3.64 0.00 1.20 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 2.21 2.19 0.00 142 K 8.16 4.03 0.00 2.05 1.78 0.00 1.64 0.00 0.00 1.60 0.00 0.00 3.00 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.41 1.48 7.81 143 L 7.64 4.08 0.00 1.58 1.69 0.85 0.94 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 0.00 144 L 7.17 4.51 0.00 1.68 1.61 0.93 1.00 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 0.00 145 L 7.68 4.10 0.00 1.80 1.60 0.91 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.