NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 M 4.4451 8.3044 120.3303 54.9654 33.9521 174.9935 5 S 4.2087 7.9911 114.0378 57.2278 64.0597 171.2572 6 L 4.7297 9.4177 129.9109 55.5428 43.5347 174.7028 7 Y 5.2078 9.5387 123.2173 56.3068 43.0125 174.1043 8 R 5.2468 8.8243 120.9322 54.5887 33.9098 173.7573 9 L 5.3399 9.2262 127.3296 53.3429 45.6702 174.8549 10 I 5.1983 9.1419 126.9604 59.7078 40.2571 174.2173 11 Y 5.4502 8.6386 123.9215 55.4691 42.0244 174.0117 12 S 5.4428 9.1317 114.8833 57.0991 66.8921 172.6129 13 S 4.9512 9.0068 114.2410 57.9532 67.1149 172.7515 14 Q 4.9722 8.7607 119.5106 53.9047 30.1879 176.1670 15 G 4.4425 9.2959 113.1073 45.8935 0.0000 173.3997 16 I 4.0985 8.6555 116.1568 60.1079 38.0392 175.6276 17 P 4.3977 0.0000 0.0000 65.0834 31.2592 176.8631 18 N 4.6885 7.9614 113.7164 52.6024 38.9172 174.5811 19 L 3.9865 7.7687 121.5714 56.2023 41.9199 177.5393 20 Q 4.6679 8.9873 122.4786 52.4690 30.6193 171.3143 21 P 4.3444 0.0000 0.0000 67.0347 31.1416 179.1464 22 Q 4.0776 8.0517 116.1950 58.7213 28.5312 178.2882 23 D 4.3569 8.0892 120.3300 57.3525 40.8401 178.7278 24 L 4.0587 7.9488 121.5073 58.1622 41.6483 180.1819 25 K 4.0794 8.3196 126.2167 60.3766 31.6458 181.5980 26 D 4.5900 8.4664 123.0710 58.4317 39.7180 180.3170 27 I 3.8417 7.9209 121.6675 64.2234 37.1273 177.9298 28 L 4.1765 8.2138 123.2114 59.2753 41.9797 179.6883 29 E 4.0396 8.3865 117.9350 61.0043 29.6326 181.1342 30 S 4.2723 8.2370 116.0144 61.6141 62.8961 177.0158 31 S 3.7978 7.9602 116.8876 61.5382 62.5048 176.5568 32 Q 4.1112 8.1308 120.9749 58.1977 28.4520 178.4786 33 R 4.0896 7.7231 116.6785 58.7048 29.9339 178.1719 34 N 4.4774 8.0580 116.7665 55.6152 39.0201 177.0367 35 N 4.2373 8.0732 118.1624 55.8962 38.7435 175.4276 36 P 4.2481 0.0000 0.0000 65.6728 31.2842 178.5026 37 A 4.0854 7.9816 117.9288 54.3430 18.4823 177.5173 38 N 4.6574 7.5443 110.1729 52.4534 39.0508 175.3461 39 G 3.8884 7.7302 105.8401 46.4914 0.0000 173.5519 40 I 4.4959 7.7606 120.9077 59.7647 38.2731 175.6029 41 T 4.8781 9.8811 114.9635 59.3064 72.1940 173.4846 42 G 3.3416 6.9879 107.1456 45.3387 0.0000 171.2497 43 L 4.2408 7.5231 122.3987 53.5362 46.3486 175.2401 44 L 5.0131 8.0356 128.0987 53.4580 44.4993 174.2568 45 C 5.2851 9.5042 127.2575 57.7497 34.4376 171.6840 46 Y 5.0932 8.8509 126.6351 55.7360 41.5728 174.1487 47 S 4.3469 8.4313 123.5571 56.7551 66.0427 174.2248 48 K 3.5301 7.8714 125.4825 53.9692 31.7457 170.5541 49 P 4.8181 0.0000 0.0000 61.5182 32.9106 174.1524 50 A 4.9109 7.8280 122.9455 51.5220 20.6463 177.0522 51 F 5.2697 9.1935 121.1840 56.0767 41.5139 174.8465 52 L 5.1415 9.4797 124.5591 53.3599 45.4369 174.8734 53 Q 5.0186 8.5256 126.5155 54.2293 33.0775 173.6016 54 V 4.8880 8.5622 125.4332 59.9257 34.0842 174.3645 55 L 5.3054 9.1339 124.6347 52.9872 44.6044 175.2623 56 E 5.2037 10.4986 122.9439 53.8643 33.5484 176.6056 57 G 4.0609 8.0896 109.1334 44.9933 0.0000 171.0879 58 E 4.4686 8.0318 119.3812 55.9528 31.3741 177.1734 59 C 3.5847 9.1545 129.4777 63.6315 31.4594 176.9346 60 E 3.9249 8.0626 118.8478 61.1688 29.2210 180.8395 61 Q 4.1601 7.9219 118.1353 58.7873 28.8737 178.5622 62 V 3.6090 8.0399 119.5554 66.0138 31.5441 177.9611 63 N 4.4040 8.3316 116.3343 56.2344 38.4482 176.8986 64 E 3.9259 8.3520 120.9110 59.7155 29.6519 179.1378 65 T 3.7903 8.1098 115.6823 66.7066 68.5298 176.1191 66 Y 3.9688 8.2330 121.6683 61.2032 38.6352 177.9759 67 H 3.8414 8.1671 115.5459 58.1494 29.0046 177.5513 68 R 3.9240 7.8666 120.9418 59.5341 29.9003 178.4239 69 I 3.5149 7.5848 119.5725 64.4895 36.8188 178.3897 70 V 3.2424 7.0497 117.8650 65.8435 31.2703 177.2584 71 Q 4.1806 7.5615 114.8220 55.3649 29.3947 175.5757 72 D 4.3872 7.8284 124.4998 54.7057 41.7491 176.9887 73 E 4.2859 8.6867 120.9013 56.8645 30.3130 174.8816 74 R 4.5478 8.5036 117.5498 57.4701 30.6099 175.4390 75 H 5.4062 7.6572 112.1548 54.8082 31.6678 171.8251 76 H 4.8277 8.6605 115.4101 54.5484 32.0023 172.6892 77 S 3.8947 8.7827 112.2692 58.9269 59.9599 171.6094 78 P 4.6548 0.0000 0.0000 63.0652 32.1774 176.0008 79 Q 4.6186 9.4944 120.1135 54.0519 31.8686 174.7639 80 I 4.1061 8.5639 125.9804 61.6297 37.1821 176.0635 81 I 4.2485 8.8949 128.3969 63.1346 38.5408 175.8533 82 E 4.7696 7.8643 119.9518 55.4565 33.1498 173.9059 83 C 5.2846 8.3579 125.2104 58.8890 34.4963 172.5826 84 M 4.4242 8.7896 122.0645 53.5701 34.4955 172.4318 85 P 4.0964 0.0000 0.0000 62.4439 32.0782 175.7754 86 I 4.5655 8.0329 115.6996 59.1309 40.0774 175.9754 87 R 4.0944 8.7083 122.3448 59.0525 30.3068 176.9024 88 R 4.5659 7.2815 110.7111 55.1268 31.8053 174.4579 89 R 4.3598 8.3443 117.7146 56.1969 30.8280 176.4640 90 N 4.6426 9.4583 116.3624 52.8472 40.2101 174.9099 91 F 4.6701 8.1004 116.9112 55.5841 39.9686 175.3987 92 E 4.1803 8.8155 125.8078 57.9496 30.0547 176.3380 93 V 4.6799 7.5935 117.5518 60.8045 35.9787 173.1450 94 W 5.4142 8.7586 131.8630 55.9831 32.3248 174.9575 95 S 4.2393 7.2246 121.0225 57.0823 67.6248 172.4047 96 M 4.9760 8.0110 119.8722 53.8803 35.2823 174.1122 97 Q 4.3363 9.3056 126.1972 54.2793 32.5671 173.2418 98 A 5.0762 8.5856 128.4168 51.2046 20.1505 177.0031 99 I 4.2720 8.3068 124.5591 60.0971 39.1589 175.2350 *105 S 4.2558 8.2992 116.8245 58.9609 63.8588 173.1620 106 T 4.3181 8.8375 116.6874 62.6285 68.9144 176.1207 107 E 5.9261 7.9977 127.1386 56.6284 30.6860 180.3159 108 Q 4.0051 7.6514 120.5794 59.1672 29.0069 178.7092 109 V 3.6837 7.7171 118.5879 65.7456 31.6944 177.5783 110 K 3.9763 8.0717 119.1951 59.3912 31.7276 178.9809 111 T 3.8930 8.1276 114.4571 66.5550 68.7141 176.2263 112 L 4.1844 7.8322 121.8004 58.2358 41.9776 179.1328 113 V 3.7954 8.1449 118.2652 66.1160 31.3153 177.9310 114 L 4.2486 8.1219 118.7669 57.6542 41.1828 179.3466 115 K 3.8411 7.7506 118.6169 58.6352 32.0061 176.9443 116 Y 4.8201 7.1495 114.2157 57.1708 38.6944 174.7377 117 S 4.6525 7.6898 113.7989 57.1064 66.0362 174.6327 118 G 3.6808 8.6021 109.0866 47.3419 0.0000 173.0631 119 F 4.6793 7.7648 116.5302 56.0094 43.0250 174.2699 120 T 4.3742 8.6848 113.7821 62.3880 67.4616 173.5824 121 T 4.6417 7.5251 110.0253 59.9320 70.8880 173.8520 122 L 3.8123 8.2925 126.0301 55.3205 42.3627 176.9841 123 R 4.4426 8.0438 124.8409 53.3371 31.4964 173.8549 124 P 4.2527 0.0000 0.0000 65.1259 31.6609 178.8411 125 S 4.2438 8.1139 110.8536 59.9429 62.9390 174.3966 126 A 4.7360 7.9107 123.0815 51.8981 19.1702 175.6217 127 M 4.9554 7.9599 117.0166 53.9409 35.3342 176.0875 128 D 4.7353 8.6954 123.0644 51.7396 42.2690 175.7704 129 P 4.2095 0.0000 0.0000 66.0520 31.1471 178.5483 130 E 3.9338 8.2168 117.2949 59.0795 29.5310 178.6282 131 Q 3.8993 8.6488 118.3682 59.1716 28.8184 178.4309 132 C 4.0926 8.2047 117.7728 62.7460 28.0992 176.0369 133 L 3.9844 8.1634 121.9356 58.4547 41.7738 178.8163 134 N 4.1383 8.0983 116.4566 55.9227 38.3232 177.1924 135 F 4.0299 7.9265 122.3372 61.3072 39.5430 177.2360 136 L 3.8864 8.1590 118.5913 57.8227 41.3844 179.5257 137 L 4.0113 8.2836 119.1846 57.8564 41.4905 179.2440 138 D 4.3613 8.0727 118.7810 56.8336 40.8614 178.5402 139 I 3.7433 7.5900 119.0926 63.5389 37.7046 177.4270 140 A 4.2421 7.7192 123.1205 55.7631 18.1174 180.2778 141 K 4.1245 7.3248 120.9770 59.9684 32.0927 182.2193 142 I 3.9861 7.6460 113.0960 63.4917 37.8970 176.4917 143 Y 4.5540 8.4567 124.1632 56.6610 36.3175 175.0571 144 E 4.8417 8.7928 129.3446 58.2498 30.1135 176.2061 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 4 M 8.30 4.45 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.54 0.00 5 S 7.99 4.21 0.00 4.11 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 6 L 9.42 4.73 0.00 1.87 1.57 1.04 0.89 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 7 Y 9.54 5.21 0.00 2.97 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 8 R 8.82 5.25 0.00 1.91 1.74 0.00 3.15 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 9 L 9.23 5.34 0.00 1.72 1.48 0.56 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 10 I 9.14 5.20 1.89 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 1.31 0.54 0.90 0.00 0.00 11 Y 8.64 5.45 0.00 3.19 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 12 S 9.13 5.44 0.00 4.01 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 13 S 9.01 4.95 0.00 4.18 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 0.00 14 Q 8.76 4.97 0.00 1.79 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.99 0.00 0.00 0.00 0.00 0.00 2.27 2.40 0.00 15 G 9.30 4.44 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 0.00 16 I 8.66 4.10 2.07 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.65 1.05 0.00 0.00 17 P 0.00 4.40 0.00 2.09 2.19 0.00 3.72 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.16 0.00 18 N 7.96 4.69 0.00 2.71 2.86 0.00 0.00 6.95 7.85 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 19 L 7.77 3.99 0.00 1.85 1.58 0.79 0.65 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 20 Q 8.99 4.67 0.00 1.95 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.25 6.74 0.00 0.00 0.00 0.00 0.00 2.21 2.18 0.00 21 P 0.00 4.34 0.00 2.15 2.15 0.00 3.57 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 2.13 2.20 0.00 22 Q 8.05 4.08 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.92 0.00 0.00 0.00 0.00 0.00 2.45 2.40 0.00 23 D 8.09 4.36 0.00 2.84 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 24 L 7.95 4.06 0.00 1.79 1.69 0.66 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 25 K 8.32 4.08 0.00 1.78 1.82 0.00 1.82 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.33 7.81 26 D 8.47 4.59 0.00 2.64 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 I 7.92 3.84 2.05 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.51 0.92 0.00 0.00 28 L 8.21 4.18 0.00 1.93 2.00 0.98 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 29 E 8.39 4.04 0.00 2.02 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.22 0.00 30 S 8.24 4.27 0.00 3.93 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 31 S 7.96 3.80 0.00 3.03 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 32 Q 8.13 4.11 0.00 2.11 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.04 0.00 0.00 0.00 0.00 0.00 2.80 2.92 0.00 33 R 7.72 4.09 0.00 1.98 2.14 0.00 3.02 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.61 0.00 34 N 8.06 4.48 0.00 2.60 2.77 0.00 0.00 6.96 6.36 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 35 N 8.07 4.24 0.00 2.38 2.87 0.00 0.00 7.08 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.25 0.00 2.15 2.13 0.00 3.48 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 2.25 2.20 0.00 37 A 7.98 4.09 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 38 N 7.54 4.66 0.00 2.71 2.82 0.00 0.00 6.97 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 G 7.73 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 0.00 0.00 0.00 40 I 7.76 4.50 1.79 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 1.49 0.84 0.90 0.00 0.00 41 T 9.88 4.88 4.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 42 G 6.99 3.34 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 0.00 43 L 7.52 4.24 0.00 1.34 0.90 0.69 0.55 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 44 L 8.04 5.01 0.00 2.08 1.44 1.15 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 45 C 9.50 5.29 0.00 3.00 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 Y 8.85 5.09 0.00 2.98 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 47 S 8.43 4.35 0.00 3.71 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 48 K 7.87 3.53 0.00 1.79 1.70 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.82 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.05 7.81 49 P 0.00 4.82 0.00 2.09 2.25 0.00 3.53 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 1.94 1.91 0.00 50 A 7.83 4.91 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 51 F 9.19 5.27 0.00 3.23 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 52 L 9.48 5.14 0.00 1.65 1.48 0.92 0.68 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 53 Q 8.53 5.02 0.00 1.94 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.55 0.00 0.00 0.00 0.00 0.00 2.38 2.63 0.00 54 V 8.56 4.89 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 0.12 0.00 0.00 0.94 0.00 0.00 55 L 9.13 5.31 0.00 1.65 1.67 1.11 0.75 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 56 E 10.50 5.20 0.00 1.95 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 0.00 2.34 2.36 0.00 57 G 8.09 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 58 E 8.03 4.47 0.00 2.07 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 59 C 9.15 3.58 0.00 2.82 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 60 E 8.06 3.92 0.00 2.01 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 1.97 0.00 61 Q 7.92 4.16 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.88 0.00 0.00 0.00 0.00 0.00 2.44 2.51 0.00 62 V 8.04 3.61 2.20 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 1.18 0.00 0.00 1.07 0.00 0.00 63 N 8.33 4.40 0.00 2.92 2.86 0.00 0.00 6.65 7.27 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 64 E 8.35 3.93 0.00 2.14 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 2.28 2.33 0.00 65 T 8.11 3.79 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 1.13 0.00 0.00 66 Y 8.23 3.97 0.00 2.90 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 67 H 8.17 3.84 0.00 3.12 3.26 0.00 5.72 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 R 7.87 3.92 0.00 1.92 2.03 0.00 3.04 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 69 I 7.58 3.51 1.65 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 1.29 0.52 0.75 0.00 0.00 70 V 7.05 3.24 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 0.66 0.00 0.00 0.11 0.00 0.00 71 Q 7.56 4.18 0.00 2.14 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.61 0.00 0.00 0.00 0.00 0.00 2.32 2.26 0.00 72 D 7.83 4.39 0.00 2.68 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 73 E 8.69 4.29 0.00 2.03 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 2.22 1.89 0.00 74 R 8.50 4.55 0.00 1.90 2.01 0.00 3.09 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.55 0.00 75 H 7.66 5.41 0.00 3.67 3.32 0.00 5.52 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 H 8.66 4.83 0.00 3.31 3.43 0.00 5.61 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 S 8.78 3.89 0.00 4.03 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 78 P 0.00 4.65 0.00 2.25 1.96 0.00 3.70 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.86 0.00 79 Q 9.49 4.62 0.00 1.98 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.04 0.00 0.00 0.00 0.00 0.00 2.51 2.50 0.00 80 I 8.56 4.11 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.46 0.82 0.00 0.00 81 I 8.89 4.25 2.02 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 1.14 0.74 0.92 0.00 0.00 82 E 7.86 4.77 0.00 2.02 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 2.29 2.30 0.00 83 C 8.36 5.28 0.00 2.96 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 M 8.79 4.42 0.00 2.04 1.95 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 85 P 0.00 4.10 0.00 1.75 1.78 0.00 3.36 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.74 0.00 86 I 8.03 4.57 1.86 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 1.22 0.67 0.88 0.00 0.00 87 R 8.71 4.09 0.00 1.81 2.02 0.00 3.39 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.54 0.00 88 R 7.28 4.57 0.00 1.87 1.86 0.00 3.02 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.61 0.00 89 R 8.34 4.36 0.00 1.99 2.15 0.00 3.23 0.00 0.00 3.32 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 90 N 9.46 4.64 0.00 2.41 2.34 0.00 0.00 6.78 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 91 F 8.10 4.67 0.00 2.99 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 92 E 8.82 4.18 0.00 1.96 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 2.33 2.39 0.00 93 V 7.59 4.68 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 1.07 0.00 0.00 0.98 0.00 0.00 94 W 8.76 5.41 0.00 3.52 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 95 S 7.22 4.24 0.00 3.43 3.56 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 96 M 8.01 4.98 0.00 1.93 1.85 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.52 0.00 97 Q 9.31 4.34 0.00 1.74 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.66 0.00 0.00 0.00 0.00 0.00 1.16 1.65 0.00 98 A 8.59 5.08 1.33 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 0.00 0.00 0.00 99 I 8.31 4.27 1.88 0.00 0.00 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 1.37 0.63 1.01 0.00 0.00 *105 S 8.30 4.26 0.00 4.01 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 0.00 106 T 8.84 4.32 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 1.22 0.00 0.00 107 E 8.00 5.93 0.00 1.99 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.61 0.00 108 Q 7.65 4.01 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.89 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 109 V 7.72 3.68 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 1.18 0.00 0.00 1.00 0.00 0.00 110 K 8.07 3.98 0.00 1.96 1.88 0.00 2.02 0.00 0.00 1.79 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.57 1.44 7.81 111 T 8.13 3.89 4.48 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 1.20 0.00 0.00 112 L 7.83 4.18 0.00 2.07 1.98 0.84 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 113 V 8.14 3.80 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 0.97 0.00 0.00 1.24 0.00 0.00 114 L 8.12 4.25 0.00 2.08 1.72 0.92 0.38 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 0.00 115 K 7.75 3.84 0.00 1.74 1.21 0.00 1.52 0.00 0.00 0.94 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.92 1.23 7.81 116 Y 7.15 4.82 0.00 3.07 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 0.00 117 S 7.69 4.65 0.00 3.89 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 0.00 118 G 8.60 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 F 7.76 4.68 0.00 2.97 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 T 8.68 4.37 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 1.28 0.00 0.00 121 T 7.53 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 1.21 0.00 0.00 122 L 8.29 3.81 0.00 1.43 1.49 0.03 0.78 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 0.00 123 R 8.04 4.44 0.00 1.81 1.74 0.00 3.10 0.00 0.00 3.21 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.68 0.00 124 P 0.00 4.25 0.00 2.16 2.07 0.00 3.55 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 2.08 1.99 0.00 125 S 8.11 4.24 0.00 3.98 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 0.00 126 A 7.91 4.74 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 0.00 127 M 7.96 4.96 0.00 1.98 1.90 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.41 0.00 128 D 8.70 4.74 0.00 2.94 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 0.00 129 P 0.00 4.21 0.00 2.18 2.24 0.00 3.61 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 2.13 2.34 0.00 130 E 8.22 3.93 0.00 2.04 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 2.39 2.40 0.00 131 Q 8.65 3.90 0.00 2.49 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.55 0.00 0.00 0.00 0.00 0.00 2.60 2.56 0.00 132 C 8.20 4.09 0.00 3.13 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 0.00 133 L 8.16 3.98 0.00 1.82 1.78 1.11 0.79 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 0.00 134 N 8.10 4.14 0.00 2.04 2.25 0.00 0.00 6.74 7.77 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 0.00 135 F 7.93 4.03 0.00 3.01 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 0.00 136 L 8.16 3.89 0.00 2.02 1.77 0.95 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 137 L 8.28 4.01 0.00 1.73 1.60 0.80 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 138 D 8.07 4.36 0.00 2.97 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 0.00 139 I 7.59 3.74 1.15 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 1.33 1.47 0.60 0.00 0.00 140 A 7.72 4.24 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 0.00 141 K 7.32 4.12 0.00 2.01 1.73 0.00 1.82 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.31 7.81 142 I 7.65 3.99 1.75 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.04 0.90 0.00 0.00 143 Y 8.46 4.55 0.00 2.92 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 E 8.79 4.84 0.00 2.06 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 0.00 2.11 2.11 0.00 * Residues marked with a * may have inaccurate shift predictions.