NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.3892 8.3149 120.0823 56.2490 32.8831 174.5534 3 K 4.5451 8.6646 124.7966 53.4908 35.0968 170.2369 4 V 3.8124 9.3196 126.7133 62.9912 31.8950 175.5876 5 V 4.1960 8.5895 121.3456 62.7034 33.0262 176.3716 6 A 4.4655 7.4156 120.2065 50.5080 22.5872 175.2925 7 V 4.5553 8.3192 121.5115 61.1260 33.8256 174.7517 8 V 4.2495 8.8561 129.0598 61.1209 33.4901 174.3012 9 K 4.9810 8.6146 127.6394 54.9597 33.5325 175.6102 10 L 4.9130 9.0888 124.7040 52.8451 46.2152 175.4845 11 Q 5.0814 8.4793 118.0676 54.3584 31.9014 175.0818 12 L 4.8825 8.9992 122.9727 52.1537 46.6029 173.9966 13 P 4.9141 0.0000 0.0000 61.7785 32.6504 175.9259 14 A 4.0252 8.8126 127.9285 54.0922 18.5875 178.1557 15 G 3.9345 9.0118 112.6828 46.5243 0.0000 174.7311 16 K 4.6572 8.1871 119.1827 53.7382 33.4540 181.4599 17 A 4.1194 8.5505 122.8706 53.6424 18.6632 177.9513 18 T 4.7455 7.9129 110.1848 59.1607 72.1212 172.1115 19 P 4.4062 0.0000 0.0000 63.1938 31.9594 176.1281 20 A 4.2048 7.4354 121.9697 50.9857 19.0540 175.2993 21 P 4.4776 0.0000 0.0000 62.5947 31.8989 175.4320 22 P 4.4298 0.0000 0.0000 64.0662 32.4738 178.4005 23 V 3.4568 7.8708 119.3552 66.5326 31.4425 177.0425 24 G 3.8519 8.0679 106.1683 47.2308 0.0000 173.5058 25 P 4.2181 0.0000 0.0000 64.9336 31.2356 178.5122 26 A 3.8715 7.7347 119.7484 54.6744 18.5584 179.3136 27 L 4.0406 7.7741 117.4762 57.7013 41.9661 179.4188 28 G 3.8110 7.7889 105.6520 48.2525 0.0000 174.9680 29 Q 3.9145 7.7135 120.5305 58.7017 28.7271 177.6283 30 H 4.8647 8.1701 114.4259 54.7967 29.1069 175.6707 31 G 3.8460 7.9804 108.4689 45.6553 0.0000 174.1981 32 A 4.4380 7.0588 121.7138 51.1110 18.9454 179.2444 33 N 4.6248 8.7664 118.6937 53.0355 38.0697 175.6031 34 I 3.6470 8.2028 128.0519 64.7554 37.3687 177.7233 35 M 4.2305 8.1036 118.6035 58.1347 31.8814 178.2246 36 E 4.0195 8.8231 119.7276 59.2087 29.8063 178.6568 37 F 4.2476 8.5417 120.6538 61.3089 39.3914 176.8599 38 V 3.3747 8.2395 118.1931 66.1254 31.1862 178.0776 39 K 3.9116 8.2648 117.6616 59.5033 31.8861 179.3229 40 A 4.0420 8.0950 120.9665 54.9663 18.2262 179.3574 41 F 3.6450 8.1539 119.4483 61.5305 38.8805 177.1994 42 N 4.2065 8.3791 115.8956 56.0209 38.0306 177.3559 43 A 3.8093 7.9681 121.4509 55.1461 18.6249 179.4057 44 A 4.1560 8.1385 118.1405 54.1433 18.4104 178.2902 45 T 4.3537 7.0429 106.5635 61.2092 69.2032 176.1462 46 A 3.8947 7.5305 127.4891 55.5947 18.3846 179.1156 47 N 4.7439 7.9802 110.2906 53.7801 38.7446 175.1789 48 M 4.4196 7.8594 118.0009 54.4571 33.2107 176.9691 49 G 3.9460 7.5927 109.0132 47.5226 0.0000 174.5355 50 D 4.8314 8.7740 123.7996 53.5635 41.2997 175.8693 51 A 4.0509 7.4150 121.7154 51.4984 19.3272 177.7636 52 I 4.0907 6.7845 120.8391 61.0560 38.7278 175.2364 53 V 4.5314 8.9224 127.0959 60.3273 33.9973 172.9217 54 P 5.0400 0.0000 0.0000 62.6334 32.7351 176.0369 55 V 5.1645 9.3395 123.1649 60.2547 35.3783 173.7335 56 E 5.1422 9.4272 123.8423 54.7670 32.1140 174.8031 57 I 5.0023 8.9520 126.4319 59.9542 39.7424 174.8548 58 T 4.7826 8.9920 125.0900 62.2741 70.0083 173.8872 59 I 4.9413 8.4502 128.0113 59.7515 40.4429 174.8680 60 Y 5.0903 8.7105 122.9122 55.8925 40.8195 176.7847 61 A 4.1151 8.3589 120.0257 54.6846 18.4915 178.2523 62 D 4.7721 8.2518 113.5689 53.1948 39.4061 177.5380 63 R 4.2934 8.2148 120.0585 56.1804 29.3482 176.3068 64 S 4.6025 8.0729 112.8665 58.8062 64.2411 173.1267 65 F 5.7636 8.1577 114.3927 56.3567 40.6251 172.7542 66 T 5.1104 9.3014 109.7126 60.2156 72.5528 172.3440 67 F 5.6703 8.4914 115.2642 55.6159 41.2529 173.7483 68 V 4.5811 9.0362 119.9907 61.4249 34.5074 174.5221 69 T 5.2196 8.6890 116.8394 60.4680 71.1322 173.3104 70 K 4.8917 8.5327 122.0412 54.3801 35.7526 175.9569 71 T 4.1963 8.3798 110.7241 60.6850 69.5217 172.8692 72 P 4.5179 0.0000 0.0000 61.3265 32.1078 175.0698 73 P 4.3116 0.0000 0.0000 62.8307 33.2899 177.3073 74 A 4.0704 8.7136 122.9077 55.5656 18.3876 180.4057 75 S 4.1075 8.1157 112.1711 61.8378 62.9024 175.8650 76 Y 4.0791 8.0805 122.6032 60.3451 38.5255 178.0380 77 L 3.8809 7.8280 120.0620 57.5862 41.6967 179.2492 78 I 3.6534 7.6957 119.7099 64.4751 37.0979 178.5591 79 R 3.8663 7.8306 118.5654 59.2415 29.8277 179.0912 80 K 3.7507 7.5370 118.8530 59.3763 31.9567 178.5368 81 A 4.0921 7.9867 119.0739 53.6556 18.1747 177.7710 82 A 4.4534 7.4763 119.8183 51.6421 19.3499 178.2081 83 G 3.8277 7.8986 105.5303 46.2011 0.0000 174.4725 84 L 4.0603 7.6470 120.5895 54.7164 41.7419 176.3152 85 E 4.6372 8.3458 123.7270 53.9935 32.7768 174.4605 86 K 4.1268 8.8232 127.2178 55.3614 33.1113 176.9001 87 G 3.8255 7.8842 111.3104 45.8814 0.0000 171.5817 88 A 4.0432 8.3121 122.3056 52.5572 18.8259 177.7208 89 H 4.7655 8.3223 118.9580 53.3441 29.0983 174.2579 90 K 4.1456 8.2608 123.1075 55.2864 32.6991 175.7099 91 P 4.2885 0.0000 0.0000 64.1797 32.2903 177.2970 92 G 3.8504 8.5506 106.0221 43.9941 0.0000 172.8586 93 R 3.9823 8.2879 120.4387 56.6916 30.6726 176.5833 94 E 4.6633 8.3086 123.9318 54.5006 32.7823 174.5024 95 K 4.3086 8.4899 125.3517 55.3857 33.2378 176.9520 96 V 3.8178 8.1899 122.8938 62.8862 32.6038 175.5671 97 G 4.0922 8.5655 111.5683 46.0755 0.0000 172.9507 98 R 5.8303 8.1786 118.5163 54.8230 32.2261 174.4779 *106 E 4.4178 9.0401 121.4055 56.3515 31.7058 178.1311 107 I 3.7586 7.3170 119.1353 63.5479 36.7091 178.2346 108 A 4.0559 8.1521 121.4417 54.4501 18.0601 178.6310 109 K 4.3513 7.5162 113.6977 57.1156 32.7030 178.5237 110 Q 4.1823 7.9491 118.5423 57.9846 28.9329 177.2107 111 K 4.4628 7.5236 115.7156 56.2113 32.7544 177.6884 112 M 4.2634 7.5514 119.7138 57.4422 33.5684 175.5476 113 P 4.4512 0.0000 0.0000 61.3293 30.1796 174.6948 *120 L 4.3118 7.8265 126.6873 54.8301 43.9459 176.1248 121 E 4.2176 7.6600 113.2607 57.1085 31.6384 176.0640 122 A 4.3112 7.9994 124.5510 50.9160 18.7111 178.8690 123 A 4.2708 7.7090 124.9424 54.2942 19.4384 178.8066 124 A 4.1326 7.9322 118.2691 54.0701 18.3375 179.4769 125 R 3.8206 7.8451 117.6639 59.3969 30.2569 177.7463 126 M 3.9815 7.8599 117.9996 58.9465 32.1945 178.1423 127 I 3.6410 7.8179 118.9994 64.2557 37.1895 178.0286 128 A 4.0681 7.8454 121.7452 55.2957 18.1479 179.9269 129 G 3.5684 8.2640 104.2607 48.1084 0.0000 176.1018 130 S 4.2406 8.8974 118.1389 60.6429 63.0678 176.3321 131 A 4.1317 8.2100 123.6417 55.3484 17.8825 180.0013 132 R 3.6075 8.3707 116.8449 58.6465 30.0475 178.3043 133 S 4.5817 7.7725 113.0642 58.8535 63.0187 174.9459 134 M 4.2696 7.8620 121.7987 56.0244 32.9836 175.4752 135 G 4.0899 7.9625 105.9318 43.9107 0.0000 173.2100 136 V 4.6350 8.9395 127.2831 60.9685 33.8188 175.1930 137 E 4.2504 9.3411 127.4469 56.1287 30.6770 175.9583 138 V 4.5682 8.3350 123.5439 60.9409 33.5754 174.8083 139 V 4.0673 8.3242 126.7086 62.6843 32.7645 176.0891 140 G 3.7776 8.8511 110.9596 45.8300 0.0000 173.1903 141 A 4.1622 7.3801 120.3012 51.4475 18.6457 177.0135 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 2 K 8.31 4.39 0.00 1.57 1.56 0.00 1.44 0.00 0.00 1.52 0.00 0.00 2.18 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.72 1.28 7.81 3 K 8.66 4.55 0.00 1.82 1.73 0.00 1.68 0.00 0.00 1.81 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.55 7.81 4 V 9.32 3.81 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 0.59 0.00 0.00 0.84 0.00 0.00 5 V 8.59 4.20 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 0.74 0.00 0.00 0.89 0.00 0.00 6 A 7.42 4.47 0.80 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 7 V 8.32 4.56 2.03 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 0.79 0.00 0.00 0.86 0.00 0.00 8 V 8.86 4.25 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 0.61 0.00 0.00 0.83 0.00 0.00 9 K 8.61 4.98 0.00 1.64 1.72 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.42 7.81 10 L 9.09 4.91 0.00 1.41 1.42 0.64 0.55 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 11 Q 8.48 5.08 0.00 1.86 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.79 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 12 L 9.00 4.88 0.00 1.33 1.30 0.22 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.91 0.00 2.10 1.97 0.00 3.63 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 2.08 0.00 14 A 8.81 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 15 G 9.01 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 16 K 8.19 4.66 0.00 1.75 1.61 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.27 1.22 7.81 17 A 8.55 4.12 1.11 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 0.00 0.00 0.00 0.00 0.00 0.00 18 T 7.91 4.75 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 1.25 0.00 0.00 19 P 0.00 4.41 0.00 2.23 2.32 0.00 3.69 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 2.06 1.96 0.00 20 A 7.44 4.20 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 21 P 0.00 4.48 0.00 2.02 1.97 0.00 3.65 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 2.00 2.05 0.00 22 P 0.00 4.43 0.00 2.12 2.22 0.00 3.63 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.87 0.00 23 V 7.87 3.46 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 1.01 0.00 0.00 0.86 0.00 0.00 24 G 8.07 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 0.00 0.00 0.00 0.00 25 P 0.00 4.22 0.00 2.21 2.27 0.00 3.64 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.98 0.00 26 A 7.73 3.87 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 7.77 4.04 0.00 1.71 1.49 0.29 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 28 G 7.79 3.81 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 0.00 0.00 0.00 29 Q 7.71 3.91 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 1.94 2.26 0.00 30 H 8.17 4.86 0.00 3.14 3.23 0.00 5.73 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 G 7.98 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 0.00 0.00 0.00 0.00 32 A 7.06 4.44 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 33 N 8.77 4.62 0.00 2.96 3.13 0.00 0.00 7.00 7.91 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 34 I 8.20 3.65 1.87 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 1.56 0.47 0.90 0.00 0.00 35 M 8.10 4.23 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.55 0.00 36 E 8.82 4.02 0.00 2.24 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.68 0.00 37 F 8.54 4.25 0.00 2.67 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 38 V 8.24 3.37 2.22 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 1.06 0.00 0.00 0.95 0.00 0.00 39 K 8.26 3.91 0.00 1.94 1.86 0.00 1.87 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.47 7.81 40 A 8.10 4.04 1.59 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 41 F 8.15 3.64 0.00 1.51 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 0.00 0.00 0.00 0.00 42 N 8.38 4.21 0.00 2.80 2.83 0.00 0.00 6.98 7.51 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 43 A 7.97 3.81 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 44 A 8.14 4.16 1.42 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 45 T 7.04 4.35 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 0.62 0.00 0.00 46 A 7.53 3.89 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 N 7.98 4.74 0.00 2.70 2.83 0.00 0.00 6.85 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 48 M 7.86 4.42 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.45 0.00 49 G 7.59 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 50 D 8.77 4.83 0.00 2.72 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 51 A 7.42 4.05 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 I 6.78 4.09 1.51 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.50 0.87 0.00 0.00 53 V 8.92 4.53 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.92 0.00 0.00 54 P 0.00 5.04 0.00 2.17 1.99 0.00 3.80 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.10 0.00 55 V 9.34 5.16 2.49 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 0.94 0.00 0.00 1.47 0.00 0.00 56 E 9.43 5.14 0.00 2.00 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 2.24 2.28 0.00 57 I 8.95 5.00 1.61 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.16 0.32 0.78 0.00 0.00 58 T 8.99 4.78 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 0.90 0.00 0.00 59 I 8.45 4.94 1.73 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 1.20 0.67 1.02 0.00 0.00 60 Y 8.71 5.09 0.00 3.06 2.89 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 61 A 8.36 4.12 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 62 D 8.25 4.77 0.00 2.82 2.80 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 63 R 8.21 4.29 0.00 2.15 2.55 0.00 3.18 0.00 0.00 3.37 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 64 S 8.07 4.60 0.00 3.95 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 65 F 8.16 5.76 0.00 3.19 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 66 T 9.30 5.11 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 67 F 8.49 5.67 0.00 3.43 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 V 9.04 4.58 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 1.10 0.00 0.00 0.95 0.00 0.00 69 T 8.69 5.22 4.36 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 1.54 0.00 0.00 70 K 8.53 4.89 0.00 1.68 1.80 0.00 1.75 0.00 0.00 1.80 0.00 0.00 3.06 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.42 1.54 7.81 71 T 8.38 4.20 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 72 P 0.00 4.52 0.00 2.29 2.09 0.00 3.83 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.09 0.00 73 P 0.00 4.31 0.00 2.26 2.06 0.00 3.59 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.22 0.00 74 A 8.71 4.07 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 S 8.12 4.11 0.00 4.10 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 Y 8.08 4.08 0.00 3.14 3.23 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 77 L 7.83 3.88 0.00 1.83 1.69 1.07 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 78 I 7.70 3.65 1.85 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 1.51 0.89 0.89 0.00 0.00 79 R 7.83 3.87 0.00 1.82 1.90 0.00 3.14 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 80 K 7.54 3.75 0.00 1.28 1.40 0.00 1.44 0.00 0.00 1.53 0.00 0.00 3.09 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.29 1.38 7.81 81 A 7.99 4.09 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 82 A 7.48 4.45 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 83 G 7.90 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 84 L 7.65 4.06 0.00 1.77 1.63 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 85 E 8.35 4.64 0.00 1.97 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.28 0.00 86 K 8.82 4.13 0.00 1.78 1.71 0.00 1.98 0.00 0.00 1.72 0.00 0.00 2.80 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.45 7.81 87 G 7.88 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 88 A 8.31 4.04 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 89 H 8.32 4.77 0.00 3.13 3.23 0.00 5.71 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 K 8.26 4.15 0.00 1.73 1.76 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.53 7.81 91 P 0.00 4.29 0.00 2.04 2.00 0.00 3.65 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 2.03 2.10 0.00 92 G 8.55 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 0.00 0.00 0.00 0.00 93 R 8.29 3.98 0.00 1.78 1.85 0.00 3.37 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 94 E 8.31 4.66 0.00 1.92 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 0.00 2.21 2.35 0.00 95 K 8.49 4.31 0.00 1.79 1.72 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.74 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.42 7.81 96 V 8.19 3.82 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 0.75 0.00 0.00 0.93 0.00 0.00 97 G 8.57 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 98 R 8.18 5.83 0.00 1.84 1.86 0.00 3.09 0.00 0.00 3.12 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.41 0.00 *106 E 9.04 4.42 0.00 2.24 2.29 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 2.26 2.40 0.00 107 I 7.32 3.76 1.88 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 1.47 0.89 0.93 0.00 0.00 108 A 8.15 4.06 1.32 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 0.00 109 K 7.52 4.35 0.00 1.76 1.86 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.47 7.81 110 Q 7.95 4.18 0.00 2.26 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.88 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 111 K 7.52 4.46 0.00 1.75 1.85 0.00 1.76 0.00 0.00 1.81 0.00 0.00 3.12 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.58 1.59 7.81 112 M 7.55 4.26 0.00 2.00 2.25 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.56 0.00 113 P 0.00 4.45 0.00 2.23 2.08 0.00 3.86 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 *120 L 7.83 4.31 0.00 1.66 1.78 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 121 E 7.66 4.22 0.00 2.09 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 2.18 2.27 0.00 122 A 8.00 4.31 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 0.00 123 A 7.71 4.27 1.32 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 0.00 124 A 7.93 4.13 1.32 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 0.00 125 R 7.85 3.82 0.00 1.92 2.02 0.00 3.36 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.63 0.00 126 M 7.86 3.98 0.00 2.22 2.06 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.60 0.00 127 I 7.82 3.64 1.88 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 1.58 0.30 0.91 0.00 0.00 128 A 7.85 4.07 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 0.00 129 G 8.26 3.57 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 0.00 0.00 0.00 130 S 8.90 4.24 0.00 3.95 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 0.00 131 A 8.21 4.13 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 R 8.37 3.61 0.00 1.97 1.99 0.00 3.12 0.00 0.00 3.22 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 133 S 7.77 4.58 0.00 3.99 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 M 7.86 4.27 0.00 2.09 2.32 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 2.51 2.51 0.00 135 G 7.96 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 0.00 136 V 8.94 4.63 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 0.83 0.00 0.00 0.92 0.00 0.00 137 E 9.34 4.25 0.00 1.99 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 138 V 8.33 4.57 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 0.79 0.00 0.00 0.93 0.00 0.00 139 V 8.32 4.07 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 0.85 0.00 0.00 0.93 0.00 0.00 140 G 8.85 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 0.00 141 A 7.38 4.16 1.32 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 * Residues marked with a * may have inaccurate shift predictions.