NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 P 4.6738 0.0000 0.0000 62.8190 32.6304 175.2738 10 V 4.2457 8.3958 118.4482 58.5589 34.0959 171.3573 11 E 5.2631 8.6311 125.3795 54.2981 32.5003 174.8956 12 V 4.7773 8.9593 126.2436 60.1168 34.4927 174.6396 13 T 4.6604 8.8777 113.4700 60.5825 71.2346 171.3848 14 Y 5.0219 8.9236 121.7808 57.1025 43.1912 177.6371 15 K 3.7880 7.9754 119.2127 56.7151 31.9523 179.1345 16 N 4.4253 9.0579 123.3076 52.1059 36.8718 175.3615 *18 R 4.1223 7.4469 118.9822 56.8653 32.2208 174.7363 19 F 5.5944 9.5724 124.7312 55.6066 43.1379 174.0975 20 L 5.0022 9.1238 123.8343 53.5128 44.6879 175.4568 21 I 4.6517 8.8573 129.2914 60.7731 38.2094 175.0399 22 T 4.8656 8.5230 122.6616 60.6152 70.2113 172.7873 23 H 4.7241 8.6552 118.8901 53.8443 30.5781 174.5060 24 N 3.9342 8.3709 120.4313 52.6430 39.0636 173.4270 25 P 4.2853 0.0000 0.0000 61.6539 33.0339 174.8109 26 T 4.6403 7.4615 106.7038 59.5823 71.4397 174.5091 27 N 4.2583 8.9329 119.8073 56.4969 38.8240 176.5515 28 A 4.1251 8.0295 120.2741 54.7227 18.9693 178.5759 29 T 4.4897 7.7186 105.0590 61.8470 69.1399 176.5541 30 L 3.9435 7.4955 125.5883 58.6666 41.9558 178.7481 31 N 4.3476 8.1011 116.0537 56.3949 38.6397 177.4122 32 K 4.0110 8.0359 119.3671 59.1136 32.1483 178.9782 33 F 4.2583 8.2013 120.9948 61.5632 39.3046 177.2231 34 I 3.5427 8.0850 119.5098 64.2268 36.8179 177.9182 35 E 3.8916 8.3397 120.1753 59.4298 29.4303 178.8869 36 E 3.9363 8.2354 118.3598 59.3706 29.5471 179.1158 37 L 3.9890 7.7819 119.0199 57.9715 41.6763 179.8036 38 K 3.9547 8.1826 118.2513 59.5131 31.7427 179.5902 39 K 4.0178 7.6010 117.4259 59.0838 32.0246 178.1504 40 Y 4.3905 7.7854 114.7834 57.4765 38.3333 175.8738 41 G 3.9424 8.0336 108.6711 46.3701 0.0000 173.9100 42 V 4.7991 8.1953 112.7544 60.8257 32.2669 176.3496 43 T 4.6201 8.4382 112.3793 61.9695 71.0577 173.6916 44 T 5.1769 7.6893 118.1935 62.1334 73.5713 172.5604 45 I 4.9989 8.8983 125.4876 59.5007 40.8808 174.5343 46 V 4.4529 8.8029 126.7141 61.1778 33.9623 174.4378 47 R 4.5194 8.9373 128.4292 55.0490 31.4759 177.1296 48 V 4.3854 7.9577 117.1988 60.8960 32.6300 175.0819 49 C 5.0622 7.3327 118.5880 55.4951 43.7931 173.0870 50 E 3.8418 8.9529 121.5147 57.4176 29.7098 177.3949 51 A 4.2582 8.3854 128.7329 51.4974 18.6978 177.0032 52 T 4.4535 8.2960 112.3833 62.2110 70.2667 174.0880 53 Y 4.8881 6.8983 118.7190 54.7110 41.2067 174.2641 54 D 4.4648 8.7569 120.8375 54.6439 42.1039 176.6027 55 T 4.6308 8.3290 115.2571 61.8595 69.2833 176.5279 56 T 3.8561 7.8744 114.7847 65.2930 68.5617 176.0725 57 L 3.9633 7.9238 122.9775 57.5368 42.3019 178.9200 58 V 3.6343 7.8150 117.6950 66.2369 31.6475 177.7150 59 E 4.5558 8.7073 119.9377 58.9484 29.0342 179.5792 60 K 4.0980 8.1067 117.8175 59.1539 32.1608 178.3186 61 E 4.3791 7.6767 116.2141 56.3854 29.4408 177.3502 62 G 3.8268 7.9678 107.3500 45.3158 0.0000 173.3071 63 I 4.5395 7.5704 120.5982 59.3897 39.2090 174.4581 64 H 5.3665 8.7970 128.2444 55.2409 31.0655 173.9495 65 V 4.7077 8.7579 125.9649 61.0721 33.4537 174.5993 66 L 4.4298 8.7974 127.6591 52.9056 44.5018 175.2299 67 D 5.0175 8.6232 123.9439 52.4622 41.4970 176.3518 68 W 5.2010 8.3759 125.6656 54.3680 28.8421 173.3493 69 P 4.9754 0.0000 0.0000 61.4926 32.2770 174.5631 70 F 5.0458 8.0668 118.7500 56.9971 40.0215 177.4512 *73 G 3.9762 8.7134 106.2741 44.6233 0.0000 175.8442 74 A 4.0025 8.8579 126.9631 50.9203 18.6088 176.5344 75 P 3.8037 0.0000 0.0000 61.1780 31.9640 174.7750 76 P 3.9381 0.0000 0.0000 62.0336 31.9642 177.4645 77 S 4.2728 8.3223 117.0528 58.3222 64.9122 175.0929 78 N 4.3272 8.7279 120.4736 56.7694 38.1840 177.4363 79 Q 3.8728 7.9402 120.3703 59.0843 29.1609 178.1500 80 I 3.2213 7.3827 121.0333 64.1297 37.0472 178.5137 81 V 3.7097 7.7494 119.0398 66.1940 31.3737 177.8112 82 D 4.3900 8.3458 118.7783 57.5632 40.6724 178.5462 83 D 4.2815 8.2179 119.7668 56.8563 40.5525 178.6974 84 W 4.8599 8.4574 129.2925 60.8660 30.8640 178.1494 85 L 3.9153 8.5159 119.2997 57.7244 41.0138 179.5225 86 S 4.1115 8.3270 113.3678 61.1093 62.2823 175.9854 87 L 3.9384 8.1274 123.1832 58.0790 41.3793 179.0558 88 V 3.3368 7.7520 118.5122 65.6880 29.8495 177.7157 89 K 3.8690 8.0378 119.2676 59.6605 32.0816 178.6164 90 I 3.7916 7.6242 118.5742 63.8677 37.8832 177.8629 91 K 3.7473 7.9136 119.3584 59.5825 31.7323 179.2033 92 F 4.4248 7.1469 114.1228 59.1145 38.8231 177.0146 93 R 4.2926 7.0428 117.4705 58.6194 30.5729 177.7463 94 E 4.2578 8.5710 115.9359 57.7208 31.3017 176.7348 95 E 4.6088 8.2537 119.5423 52.7147 29.8627 172.0807 96 P 4.3751 0.0000 0.0000 64.2625 32.1382 177.0569 97 G 3.9059 9.0612 110.3696 45.7527 0.0000 172.9860 98 C 4.6435 7.7729 114.8745 57.3413 31.2566 172.0118 99 C 5.2718 8.5887 118.5190 57.7976 35.0185 172.4539 100 I 4.9012 8.5898 125.1538 59.6440 39.2363 174.6961 101 A 5.2507 9.0478 129.3183 50.9616 21.3952 176.0034 102 V 5.1091 9.1684 119.4644 61.0478 35.4259 173.7200 103 H 5.2094 8.5640 120.7779 53.8412 32.1939 175.9917 104 C 4.8750 8.8187 117.3734 56.9018 42.9444 175.4166 105 V 4.1759 8.6821 106.3541 61.8520 33.7100 175.3596 106 A 4.4180 7.7005 121.1903 49.2081 19.0782 175.1104 107 G 3.8656 8.5823 107.6036 43.7605 0.0000 170.9442 108 L 3.9035 8.5466 117.4936 57.8897 42.4630 178.5279 109 G 3.7119 7.4977 106.0448 47.1390 0.0000 174.6686 110 R 4.3659 8.3297 120.7332 55.7631 30.0297 177.7911 111 A 3.9158 7.8143 122.1743 55.3349 18.2547 178.2486 112 P 4.1589 0.0000 0.0000 64.8763 31.2777 178.8309 113 V 3.8428 7.6054 117.3601 66.3329 31.4683 178.0085 114 L 3.6348 7.7303 117.9148 57.5222 41.2596 179.5990 115 V 3.2824 7.0616 118.0429 65.7772 31.4373 177.9043 116 A 4.0771 8.2570 120.5831 55.2326 18.2101 179.5913 117 L 3.7360 7.9193 117.2405 57.8229 41.6536 179.6384 118 A 4.2917 8.3441 120.7965 55.2320 18.1310 179.7279 119 L 4.0796 7.9352 116.7173 58.0119 41.9883 179.4536 120 I 3.8976 8.0310 119.9027 64.3760 36.8238 178.1261 121 E 4.2692 8.3723 119.4775 59.0156 29.5960 178.4590 122 G 3.7264 7.9402 103.9297 44.5144 0.0000 172.6468 123 G 3.8772 7.6070 110.5092 46.1093 0.0000 173.9846 *125 K 4.1558 7.6617 119.2142 55.9791 35.1649 176.2595 126 Y 4.1189 8.4960 119.2971 60.5229 37.6423 178.6140 127 E 3.3011 6.9850 119.6078 58.9847 29.4620 178.8548 128 D 4.2332 7.7805 118.1404 57.2238 40.9343 178.4663 129 A 3.9193 7.7801 121.2418 55.1365 18.2819 179.8563 130 V 3.4264 7.8073 116.8118 66.2344 31.5566 178.3397 131 Q 3.9941 8.2032 117.8611 58.9097 28.3272 178.3840 132 F 4.0926 8.4300 121.1374 61.3531 39.5654 176.9283 133 I 4.0163 8.0469 119.4191 64.3093 36.8106 178.5787 134 R 4.1207 8.4983 119.1549 59.0814 29.6119 178.7895 135 Q 3.8702 8.1114 118.7301 58.3677 28.9818 177.5359 136 K 4.5381 7.1728 118.0979 56.4511 33.5837 176.2568 137 R 4.4023 8.1298 119.5693 53.7777 31.0814 175.0737 138 R 3.9394 8.8108 121.7849 59.1354 29.1598 178.0952 139 G 3.9176 8.2130 104.3703 45.4516 0.0000 175.1177 140 A 3.0401 6.8543 117.9388 53.0560 19.3835 178.1981 141 F 5.0076 8.0383 115.5393 55.2519 42.0763 175.8497 142 N 4.9829 8.8567 121.3423 50.9999 40.6401 176.1905 143 S 4.1583 8.5619 115.3917 61.9915 62.5809 176.6178 144 K 3.9303 8.2258 122.0443 59.1952 31.7935 179.1620 145 Q 4.2175 8.8664 118.3532 58.9146 28.6622 178.7036 146 L 3.9720 8.1542 120.1110 57.7062 41.4277 179.4808 147 L 3.9149 7.8660 118.0099 57.9591 41.4384 178.5747 148 Y 4.2722 7.8948 118.3446 59.6299 38.6684 177.2915 149 L 3.3880 7.5665 120.1062 57.2436 41.4070 178.7612 150 E 2.5400 7.2311 119.0502 57.9186 29.5828 177.4198 151 K 4.2197 6.9562 115.0400 56.1787 32.8001 176.1745 152 Y 3.8748 7.0616 121.6448 57.6110 38.9034 175.5497 153 R 4.1556 7.5676 126.6719 53.3416 30.3787 174.1855 154 P 4.2619 0.0000 0.0000 62.1845 33.7130 176.2360 155 K 3.8584 8.7108 122.7917 58.2236 29.9587 178.9366 *157 R 4.3240 9.0862 128.5153 56.2508 32.5745 175.7960 158 L 4.0341 7.9288 118.3045 54.5558 42.2215 176.3779 159 R 4.6254 7.9453 121.5814 54.5100 32.2839 176.3353 160 F 4.3623 8.4675 118.5802 57.7969 39.8922 174.8711 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 9 P 0.00 4.67 0.00 1.99 2.17 0.00 3.75 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 1.94 2.09 0.00 10 V 8.40 4.25 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 0.66 0.00 0.00 0.92 0.00 0.00 11 E 8.63 5.26 0.00 1.88 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 2.24 2.42 0.00 12 V 8.96 4.78 2.21 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 1.07 0.00 0.00 1.36 0.00 0.00 13 T 8.88 4.66 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 14 Y 8.92 5.02 0.00 2.73 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 15 K 7.98 3.79 0.00 1.52 0.97 0.00 1.08 0.00 0.00 0.68 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.21 7.81 16 N 9.06 4.43 0.00 2.83 2.90 0.00 0.00 5.82 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 *18 R 7.45 4.12 0.00 1.84 2.03 0.00 3.40 0.00 0.00 3.37 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 19 F 9.57 5.59 0.00 3.19 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 20 L 9.12 5.00 0.00 1.59 1.48 0.25 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 21 I 8.86 4.65 1.86 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 1.15 0.50 0.86 0.00 0.00 22 T 8.52 4.87 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 23 H 8.66 4.72 0.00 3.11 3.16 0.00 5.95 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 N 8.37 3.93 0.00 2.81 2.78 0.00 0.00 7.03 7.69 0.00 0.00 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 4.29 0.00 1.34 0.49 0.00 3.09 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 26 T 7.46 4.64 4.19 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 27 N 8.93 4.26 0.00 2.74 2.97 0.00 0.00 6.93 7.35 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 28 A 8.03 4.13 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 29 T 7.72 4.49 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 1.17 0.00 0.00 30 L 7.50 3.94 0.00 2.04 1.71 0.62 0.77 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 31 N 8.10 4.35 0.00 2.79 2.86 0.00 0.00 7.16 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 32 K 8.04 4.01 0.00 1.84 1.89 0.00 1.68 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.51 7.81 33 F 8.20 4.26 0.00 3.12 3.22 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 34 I 8.09 3.54 2.03 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.69 0.91 0.00 0.00 35 E 8.34 3.89 0.00 2.10 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 0.00 2.29 2.34 0.00 36 E 8.24 3.94 0.00 2.19 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 0.00 2.51 2.57 0.00 37 L 7.78 3.99 0.00 1.64 1.60 0.35 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.18 3.95 0.00 1.95 1.84 0.00 1.65 0.00 0.00 1.63 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.62 7.81 39 K 7.60 4.02 0.00 1.67 1.65 0.00 1.82 0.00 0.00 1.59 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.60 7.81 40 Y 7.79 4.39 0.00 3.13 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.03 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 0.00 0.00 0.00 42 V 8.20 4.80 2.15 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 0.77 0.00 0.00 0.93 0.00 0.00 43 T 8.44 4.62 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 1.31 0.00 0.00 44 T 7.69 5.18 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 1.22 0.00 0.00 45 I 8.90 5.00 1.94 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.73 1.09 0.00 0.00 46 V 8.80 4.45 2.13 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 0.88 0.00 0.00 0.97 0.00 0.00 47 R 8.94 4.52 0.00 1.74 1.68 0.00 2.99 0.00 0.00 3.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.48 0.00 48 V 7.96 4.39 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 1.23 0.00 0.00 0.63 0.00 0.00 49 C 7.33 5.06 0.00 2.60 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 50 E 8.95 3.84 0.00 1.88 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 2.26 2.29 0.00 51 A 8.39 4.26 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 0.00 0.00 0.00 0.00 0.00 52 T 8.30 4.45 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 1.21 0.00 0.00 53 Y 6.90 4.89 0.00 3.00 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 54 D 8.76 4.46 0.00 2.67 2.67 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 55 T 8.33 4.63 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 1.13 0.00 0.00 56 T 7.87 3.86 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 1.29 0.00 0.00 57 L 7.92 3.96 0.00 1.83 1.76 0.95 0.96 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 58 V 7.82 3.63 2.36 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 1.15 0.00 0.00 1.16 0.00 0.00 59 E 8.71 4.56 0.00 2.14 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 0.00 2.51 2.39 0.00 60 K 8.11 4.10 0.00 1.94 1.89 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.71 1.65 7.81 61 E 7.68 4.38 0.00 2.06 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 0.00 2.59 2.48 0.00 62 G 7.97 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 63 I 7.57 4.54 2.02 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 1.12 1.31 0.93 0.00 0.00 64 H 8.80 5.37 0.00 3.27 3.16 0.00 5.79 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 65 V 8.76 4.71 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 0.74 0.00 0.00 1.05 0.00 0.00 66 L 8.80 4.43 0.00 0.75 0.34 0.49 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 67 D 8.62 5.02 0.00 2.54 2.61 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 0.00 0.00 0.00 68 W 8.38 5.20 0.00 3.37 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 69 P 0.00 4.98 0.00 1.94 1.92 0.00 3.79 0.00 0.00 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.91 0.00 70 F 8.07 5.05 0.00 2.90 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 0.00 0.00 0.00 0.00 *73 G 8.71 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 74 A 8.86 4.00 1.24 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 0.00 0.00 0.00 75 P 0.00 3.80 0.00 1.45 0.49 0.00 3.46 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.42 0.00 76 P 0.00 3.94 0.00 1.65 1.23 0.00 3.34 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.44 0.00 77 S 8.32 4.27 0.00 4.01 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 78 N 8.73 4.33 0.00 2.74 2.92 0.00 0.00 6.53 8.17 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 79 Q 7.94 3.87 0.00 2.10 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.91 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 80 I 7.38 3.22 1.94 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.41 0.96 0.00 0.00 81 V 7.75 3.71 2.31 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 1.35 0.00 0.00 0.98 0.00 0.00 82 D 8.35 4.39 0.00 2.82 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 8.22 4.28 0.00 1.77 1.78 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 84 W 8.46 4.86 0.00 3.66 3.43 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 85 L 8.52 3.92 0.00 1.99 1.76 1.19 1.05 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 86 S 8.33 4.11 0.00 4.00 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 87 L 8.13 3.94 0.00 2.21 1.93 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 88 V 7.75 3.34 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 1.27 0.00 0.00 0.32 0.00 0.00 89 K 8.04 3.87 0.00 1.93 1.94 0.00 1.64 0.00 0.00 1.55 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.38 7.81 90 I 7.62 3.79 1.85 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 1.48 1.15 0.98 0.00 0.00 91 K 7.91 3.75 0.00 1.19 1.40 0.00 1.80 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.47 1.39 7.81 92 F 7.15 4.42 0.00 3.05 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 93 R 7.04 4.29 0.00 2.06 2.01 0.00 3.22 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 94 E 8.57 4.26 0.00 2.09 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 0.00 2.50 2.30 0.00 95 E 8.25 4.61 0.00 2.08 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 2.19 2.20 0.00 96 P 0.00 4.38 0.00 2.05 2.04 0.00 3.74 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.26 0.00 97 G 9.06 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 98 C 7.77 4.64 0.00 3.26 3.06 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 99 C 8.59 5.27 0.00 3.15 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 0.00 100 I 8.59 4.90 2.21 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 0.97 0.14 1.27 0.00 0.00 101 A 9.05 5.25 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 0.00 102 V 9.17 5.11 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 1.10 0.00 0.00 103 H 8.56 5.21 0.00 3.40 3.43 0.00 5.67 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 0.00 104 C 8.82 4.88 0.00 2.83 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 0.00 0.00 0.00 0.00 105 V 8.68 4.18 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 0.79 0.00 0.00 0.89 0.00 0.00 106 A 7.70 4.42 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 0.00 0.00 107 G 8.58 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 L 8.55 3.90 0.00 1.58 1.62 0.82 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 109 G 7.50 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 0.00 0.00 0.00 110 R 8.33 4.37 0.00 2.21 2.22 0.00 2.59 0.00 0.00 2.90 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.24 0.00 111 A 7.81 3.92 1.31 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 0.00 0.00 0.00 112 P 0.00 4.16 0.00 1.36 1.71 0.00 3.49 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 1.75 1.94 0.00 113 V 7.61 3.84 2.31 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 1.05 0.00 0.00 1.20 0.00 0.00 114 L 7.73 3.63 0.00 0.89 0.13 0.45 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 115 V 7.06 3.28 2.21 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 0.92 0.00 0.00 0.83 0.00 0.00 116 A 8.26 4.08 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 0.00 0.00 0.00 0.00 0.00 117 L 7.92 3.74 0.00 1.89 1.82 0.22 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 118 A 8.34 4.29 1.67 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 0.00 119 L 7.94 4.08 0.00 1.80 1.55 1.04 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 120 I 8.03 3.90 2.15 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 1.47 1.05 1.12 0.00 0.00 121 E 8.37 4.27 0.00 2.45 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 2.50 2.54 0.00 122 G 7.94 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 G 7.61 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 *125 K 7.66 4.16 0.00 1.76 1.90 0.00 1.65 0.00 0.00 1.85 0.00 0.00 3.15 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.44 1.49 7.81 126 Y 8.50 4.12 0.00 3.04 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 E 6.99 3.30 0.00 1.71 1.71 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 2.00 1.47 0.00 128 D 7.78 4.23 0.00 2.65 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 A 7.78 3.92 1.31 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 0.00 0.00 0.00 130 V 7.81 3.43 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 1.08 0.00 0.00 0.46 0.00 0.00 131 Q 8.20 3.99 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.57 0.00 0.00 0.00 0.00 0.00 2.54 2.46 0.00 132 F 8.43 4.09 0.00 3.02 3.22 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 0.00 133 I 8.05 4.02 2.25 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.16 0.94 0.00 0.00 134 R 8.50 4.12 0.00 1.96 2.02 0.00 3.21 0.00 0.00 3.16 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.98 0.00 135 Q 8.11 3.87 0.00 2.15 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.49 0.00 136 K 7.17 4.54 0.00 1.70 1.80 0.00 1.43 0.00 0.00 1.35 0.00 0.00 3.11 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.50 1.41 7.81 137 R 8.13 4.40 0.00 1.76 1.70 0.00 3.15 0.00 0.00 3.19 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.54 0.00 138 R 8.81 3.94 0.00 1.96 2.10 0.00 3.07 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 139 G 8.21 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 0.00 140 A 6.85 3.04 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 0.00 141 F 8.04 5.01 0.00 3.01 3.04 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 0.00 142 N 8.86 4.98 0.00 3.04 2.99 0.00 0.00 6.95 6.94 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 0.00 143 S 8.56 4.16 0.00 4.10 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 0.00 144 K 8.23 3.93 0.00 2.02 1.96 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.99 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.56 1.58 7.81 145 Q 8.87 4.22 0.00 2.46 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.55 2.61 0.00 146 L 8.15 3.97 0.00 1.90 1.79 0.99 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 147 L 7.87 3.91 0.00 1.85 1.75 0.92 0.78 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 0.00 148 Y 7.89 4.27 0.00 3.01 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 0.00 149 L 7.57 3.39 0.00 1.56 1.40 0.50 0.45 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 0.00 150 E 7.23 2.54 0.00 1.50 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 2.15 2.15 0.00 151 K 6.96 4.22 0.00 1.76 1.81 0.00 1.74 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.48 7.81 152 Y 7.06 3.87 0.00 2.43 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 0.00 153 R 7.57 4.16 0.00 1.58 1.68 0.00 3.20 0.00 0.00 3.19 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.60 0.00 154 P 0.00 4.26 0.00 2.24 2.23 0.00 3.60 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 1.95 2.02 0.00 155 K 8.71 3.86 0.00 1.78 1.47 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.46 1.43 7.81 *157 R 9.09 4.32 0.00 1.84 2.03 0.00 3.38 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.61 0.00 158 L 7.93 4.03 0.00 1.75 1.23 1.06 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 159 R 7.95 4.63 0.00 1.64 1.75 0.00 3.10 0.00 0.00 3.19 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.71 0.00 160 F 8.47 4.36 0.00 2.89 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.