NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 S 4.3331 8.1885 115.3886 57.7149 64.6779 174.2388 7 A 3.1932 7.9717 121.3286 54.6109 18.0458 178.3150 8 Q 3.7125 8.1300 118.0915 59.0122 29.2048 177.0169 9 A 3.9589 7.6727 121.2500 54.7744 18.2499 179.8754 10 I 3.4955 7.3502 118.5850 64.5098 37.2112 178.5869 11 I 3.5022 7.5102 120.6476 64.1756 36.9497 178.5156 12 R 3.8518 7.7264 119.3269 59.0661 29.7208 178.1960 13 E 3.9088 8.0973 118.8619 59.0350 29.6883 177.2972 14 L 4.2240 8.0575 115.7832 53.8575 42.0176 176.5469 15 G 3.9247 7.3448 105.6971 46.4062 0.0000 174.2284 16 L 4.5027 7.7460 117.5111 54.4545 42.7348 177.2765 17 E 5.0514 9.5732 123.1531 53.3064 33.4813 173.1344 18 P 4.4057 0.0000 0.0000 63.4595 31.9056 174.9348 19 H 4.8951 9.1254 122.9402 53.6831 31.5663 173.7992 20 P 4.2685 0.0000 0.0000 65.6899 31.4425 177.1504 21 E 4.3187 8.4410 113.7318 56.2904 30.0692 175.8188 22 G 3.8862 8.4590 106.4428 45.6471 0.0000 174.3611 23 G 3.8394 8.5063 107.5886 44.4941 0.0000 172.1077 24 F 5.6060 8.4901 115.9738 56.2511 43.1238 174.2509 25 Y 5.7088 9.6113 119.0437 58.0227 42.2384 172.7504 26 H 4.4037 8.4750 116.5830 55.1164 33.3135 172.1453 27 Q 4.6415 8.4635 128.3768 56.3899 28.8720 175.4929 28 T 4.3117 8.3563 117.0661 62.9515 70.1807 174.7089 29 F 4.8292 7.7142 121.9642 57.4185 42.9232 172.9279 30 R 4.2936 7.4227 124.9467 54.3786 32.1155 173.9354 31 D 4.0711 7.8582 127.2613 54.4993 41.5632 177.8067 32 K 3.8936 8.8747 124.7661 58.6353 32.7491 177.1616 33 A 4.3814 8.3779 121.8705 51.9134 20.0070 177.3776 34 G 3.6169 8.2948 107.6046 45.3912 0.0000 174.5273 35 G 3.8109 8.1077 107.2058 43.8754 0.0000 174.2549 36 E 3.8795 8.7117 117.2880 59.2771 29.5027 178.6741 37 R 4.1737 7.9625 112.2657 55.0429 30.5400 175.3100 38 G 4.2233 7.6026 108.7610 45.3077 0.0000 174.2011 39 H 4.4183 8.6948 118.3389 59.0998 29.9249 175.3966 40 S 5.2121 7.7369 109.9197 57.7086 66.1950 173.8280 41 T 5.2454 8.9711 110.2709 59.9714 72.2933 172.5835 42 A 5.3158 8.9391 123.2722 50.7103 23.0912 175.0649 43 I 4.9514 8.3631 118.8732 60.2871 42.7260 173.4397 44 Y 5.4608 8.8018 121.4728 56.7219 40.6106 174.4691 45 Y 5.5234 9.2375 124.2261 55.8760 42.8231 173.4749 46 L 5.1599 9.0912 127.8505 53.2120 45.6787 174.6836 47 L 4.8981 8.5180 126.1304 53.1200 44.2566 176.1399 48 E 4.9403 8.7756 123.1577 54.5887 32.0318 175.3515 49 K 3.7687 7.8269 122.3066 58.2162 32.1067 175.7291 50 G 4.2899 9.3320 121.5022 45.5957 0.0000 173.9022 51 V 3.4719 6.9927 120.5822 61.7355 31.1861 175.4111 52 R 4.7265 8.4170 126.2633 53.9791 31.1735 175.6928 53 S 4.4104 8.4035 121.7302 59.3050 63.1037 174.4661 54 H 4.5489 8.6349 121.6698 55.6760 29.4282 175.3172 55 W 4.8130 8.9933 120.2331 57.7938 29.9773 175.0445 56 H 5.1886 9.3440 117.3137 55.5918 32.1672 172.3420 57 R 4.7388 8.6115 116.3675 54.6503 34.8117 175.1716 58 V 4.2460 8.3659 123.3298 61.5998 31.8677 175.8304 59 T 3.8189 8.8107 120.5290 63.7678 68.9543 174.9053 60 D 5.0777 7.8732 118.8873 52.0857 40.6280 175.4251 61 A 4.7157 7.7759 118.8235 51.2255 22.6130 176.2911 62 V 4.2281 8.4537 120.8978 62.5872 33.1500 174.2829 63 E 5.0350 9.0048 128.5159 54.3819 32.6236 174.3677 64 V 4.8222 8.9821 126.7288 61.0709 33.8438 174.4256 65 W 4.9898 8.9507 127.9696 56.0551 31.4373 175.2506 66 H 5.1789 8.8924 119.6797 54.1293 31.7744 172.1438 67 Y 4.3757 9.1634 126.0672 58.1419 39.3111 174.7434 68 Y 4.7446 8.0137 122.9743 59.2772 40.8096 175.2932 69 A 4.0995 6.7384 117.6436 53.0555 22.9683 176.2993 70 G 3.6912 8.7698 106.4198 44.2259 0.0000 173.1199 71 A 4.3350 7.7527 120.8014 51.0663 19.2887 176.2460 72 P 4.6804 0.0000 0.0000 62.9619 33.2930 175.0403 73 I 4.9517 8.8888 120.5310 59.5601 40.6467 175.0166 74 A 4.8317 8.8463 127.2575 50.4300 20.7616 175.4147 75 L 4.4252 8.7114 125.4938 54.1845 44.3822 174.8188 76 H 5.3910 9.0727 124.3086 54.3246 30.6891 173.7964 77 L 5.6509 9.3683 123.8981 53.3803 45.4421 176.4541 78 S 4.7030 9.2290 117.6578 57.9033 64.0594 174.4978 79 Q 4.0815 9.0455 129.7570 58.4709 29.1264 176.4414 80 D 4.6778 8.2525 114.2634 52.7587 40.1101 177.2501 81 G 4.0926 8.0657 107.1835 45.9795 0.0000 173.8028 82 R 4.1836 8.4735 118.1133 57.1142 31.6316 175.2771 83 E 4.4507 8.0177 118.9610 54.7909 31.0374 175.4788 84 V 4.9148 8.0638 123.6561 60.0658 34.6343 174.6743 85 Q 4.6572 9.7192 120.9093 54.5279 32.5010 174.3084 86 T 5.2335 8.4108 119.4173 61.8596 71.0308 173.6885 87 F 4.8000 9.2828 124.1188 55.9287 43.1309 174.5144 88 T 4.6566 8.4693 119.5889 62.4381 69.8131 174.0822 89 L 4.5530 9.0568 131.6468 54.7622 42.4051 175.5828 90 G 3.9135 8.5798 112.9377 44.7972 0.0000 169.3114 91 P 4.5383 0.0000 0.0000 62.6815 32.4840 176.5707 92 A 4.3095 8.5410 125.2268 50.8808 16.8040 177.9755 93 I 3.9379 7.6932 126.4818 63.2747 37.7291 178.7773 94 L 4.3953 7.8760 115.3054 56.0798 40.7678 176.7970 95 E 4.6149 8.1498 119.7173 56.2063 30.4767 177.3230 96 G 3.7683 7.9396 103.8298 45.7958 0.0000 173.8694 97 E 4.4992 7.4070 121.0615 54.7993 31.0809 174.9859 98 R 4.8751 8.2970 122.4018 53.9473 34.1052 174.0458 99 P 4.8923 0.0000 0.0000 63.2446 32.9650 174.7190 100 Q 5.2275 8.1589 121.5380 53.3963 32.1309 174.4462 101 V 4.3813 8.2208 124.9315 60.2042 34.8089 173.9238 102 I 4.3880 8.3578 126.4491 60.3405 38.4129 175.2651 103 V 4.1721 8.6948 128.0287 60.4230 33.0410 173.4607 104 P 4.7187 0.0000 0.0000 62.2314 32.6132 176.0506 105 A 4.5952 8.4857 123.8526 53.2730 18.7046 177.3371 106 N 4.0433 8.7965 118.4945 54.0617 38.4028 173.4953 107 C 4.4606 7.7178 117.1440 58.7885 32.5969 173.3829 108 W 4.9286 8.9718 126.8804 57.1813 30.0546 175.1939 109 Q 5.9052 9.9174 121.8432 54.0297 32.1487 174.0367 110 S 4.8019 7.8934 113.3114 57.3549 66.2221 172.9677 111 A 5.2025 9.3242 124.0070 50.5521 23.3282 174.4364 112 E 4.8859 8.6222 115.6361 55.1143 33.2179 174.7850 113 S 4.4968 8.7664 118.3908 58.1445 63.2687 173.1704 114 L 4.5158 8.5752 126.3672 54.5984 42.0765 177.2576 115 G 3.8408 7.7255 109.6201 45.0965 0.0000 174.3327 116 D 4.6532 8.9346 118.7139 57.1902 41.9728 176.4805 117 F 5.6462 7.1045 110.0887 57.5632 41.0769 172.9741 118 T 5.1623 8.3182 115.1512 62.0696 73.0410 172.4787 119 L 5.0892 9.0543 128.5675 53.6451 44.3943 175.6320 120 V 4.3790 9.2234 118.9077 59.5689 36.6878 174.2367 121 G 4.3874 8.1663 107.2841 43.7841 0.0000 172.0666 122 C 5.2394 8.6922 118.5675 57.8729 32.4091 173.1178 123 T 5.0947 8.8388 114.3073 59.8513 71.2711 173.4284 124 V 4.9075 8.5694 123.8767 60.1040 35.2329 174.1741 125 S 5.0029 8.6019 121.9086 56.0634 64.9301 171.7095 126 P 5.2311 0.0000 0.0000 61.8704 32.0486 175.9495 127 G 4.4161 8.8310 107.2931 45.9428 0.0000 173.4979 128 F 4.2057 9.2379 126.5710 57.9403 40.2679 174.4563 129 A 4.3189 6.6111 128.1585 50.2049 22.1591 177.2669 130 F 4.0070 8.4896 120.9258 59.8200 39.2400 177.0344 131 S 4.5378 7.9044 113.1561 59.4022 63.0657 174.1708 132 S 4.7137 8.1522 117.1773 58.3810 65.0600 172.6010 133 F 5.3530 8.2136 122.1945 56.6362 41.2402 174.4708 134 V 4.2951 7.7622 124.4259 61.0504 35.6871 173.6418 *136 A 4.2720 8.3820 123.7980 51.6084 19.0690 176.1301 137 E 4.2731 8.0873 118.7248 54.9800 30.3593 175.3358 138 P 4.2534 0.0000 0.0000 64.5126 31.6488 176.4764 139 G 3.8939 8.9499 107.7809 45.8091 0.0000 173.0217 140 W 4.5934 7.4693 127.8141 56.1605 32.0697 175.1048 141 S 2.9269 5.8100 116.7720 56.8284 66.1210 173.7731 142 P 3.7026 0.0000 0.0000 62.5911 31.1243 176.5313 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 6 S 8.19 4.33 0.00 3.95 4.07 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 0.00 0.00 0.00 7 A 7.97 3.19 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 8 Q 8.13 3.71 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 9 A 7.67 3.96 1.20 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 0.00 0.00 10 I 7.35 3.50 1.64 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.47 0.70 0.00 0.00 11 I 7.51 3.50 1.69 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.67 0.67 0.00 0.00 12 R 7.73 3.85 0.00 1.82 1.81 0.00 3.03 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 13 E 8.10 3.91 0.00 1.94 1.86 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 2.22 2.23 0.00 14 L 8.06 4.22 0.00 1.60 1.58 0.32 0.84 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 15 G 7.34 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 16 L 7.75 4.50 0.00 1.52 1.76 0.98 0.48 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 17 E 9.57 5.05 0.00 1.91 1.69 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 2.19 2.32 0.00 18 P 0.00 4.41 0.00 2.01 1.82 0.00 3.90 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 2.02 2.01 0.00 19 H 9.13 4.90 0.00 3.31 3.50 0.00 5.60 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.27 0.00 2.12 2.13 0.00 2.95 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.92 0.00 21 E 8.44 4.32 0.00 2.26 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 2.27 2.33 0.00 22 G 8.46 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 23 G 8.51 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 F 8.49 5.61 0.00 3.01 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 25 Y 9.61 5.71 0.00 3.38 3.31 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 26 H 8.47 4.40 0.00 3.20 3.27 0.00 5.86 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Q 8.46 4.64 0.00 2.17 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.74 0.00 0.00 0.00 0.00 0.00 2.29 2.50 0.00 28 T 8.36 4.31 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 29 F 7.71 4.83 0.00 3.01 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 30 R 7.42 4.29 0.00 1.61 1.51 0.00 3.21 0.00 0.00 3.05 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.52 0.00 31 D 7.86 4.07 0.00 2.75 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.87 3.89 0.00 1.78 1.84 0.00 1.78 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.39 7.81 33 A 8.38 4.38 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 34 G 8.29 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.11 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 36 E 8.71 3.88 0.00 1.93 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 0.00 2.30 2.24 0.00 37 R 7.96 4.17 0.00 1.91 2.09 0.00 3.19 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 38 G 7.60 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 39 H 8.69 4.42 0.00 3.25 3.38 0.00 5.66 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 S 7.74 5.21 0.00 4.04 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.97 5.25 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 1.20 0.00 0.00 42 A 8.94 5.32 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 43 I 8.36 4.95 1.70 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.59 0.89 0.00 0.00 44 Y 8.80 5.46 0.00 3.04 2.82 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 0.00 0.00 0.00 45 Y 9.24 5.52 0.00 2.80 2.59 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 46 L 9.09 5.16 0.00 1.68 1.48 0.92 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 47 L 8.52 4.90 0.00 1.65 1.57 1.17 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 48 E 8.78 4.94 0.00 2.05 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 2.38 2.41 0.00 49 K 7.83 3.77 0.00 2.02 1.81 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.31 7.81 50 G 9.33 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 0.00 0.00 0.00 0.00 51 V 6.99 3.47 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 0.82 0.00 0.00 0.95 0.00 0.00 52 R 8.42 4.73 0.00 1.84 1.90 0.00 3.19 0.00 0.00 3.45 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.67 0.00 53 S 8.40 4.41 0.00 4.09 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 H 8.63 4.55 0.00 3.27 3.45 0.00 5.66 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 55 W 8.99 4.81 0.00 3.43 3.48 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 56 H 9.34 5.19 0.00 3.03 3.48 0.00 5.23 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 R 8.61 4.74 0.00 1.22 1.41 0.00 2.32 0.00 0.00 2.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.50 0.00 58 V 8.37 4.25 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 1.26 0.00 0.00 1.18 0.00 0.00 59 T 8.81 3.82 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 60 D 7.87 5.08 0.00 2.61 2.68 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 61 A 7.78 4.72 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 V 8.45 4.23 2.10 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 1.02 0.00 0.00 0.97 0.00 0.00 63 E 9.00 5.03 0.00 2.14 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 2.17 2.26 0.00 64 V 8.98 4.82 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 0.82 0.00 0.00 0.97 0.00 0.00 65 W 8.95 4.99 0.00 3.25 3.14 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 66 H 8.89 5.18 0.00 2.73 3.24 0.00 5.81 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 Y 9.16 4.38 0.00 3.13 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 68 Y 8.01 4.74 0.00 3.00 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 A 6.74 4.10 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 70 G 8.77 3.69 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 0.00 0.00 0.00 71 A 7.75 4.33 1.15 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 0.00 0.00 72 P 0.00 4.68 0.00 2.08 2.07 0.00 3.63 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 2.04 1.94 0.00 73 I 8.89 4.95 1.98 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.78 0.83 0.00 0.00 74 A 8.85 4.83 1.19 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 0.00 0.00 0.00 75 L 8.71 4.43 0.00 1.35 1.49 -0.11 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 76 H 9.07 5.39 0.00 2.75 3.38 0.00 5.61 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 L 9.37 5.65 0.00 1.76 1.70 0.96 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 78 S 9.23 4.70 0.00 3.92 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 79 Q 9.05 4.08 0.00 2.12 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.66 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 80 D 8.25 4.68 0.00 2.86 2.82 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 0.00 0.00 0.00 81 G 8.07 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 82 R 8.47 4.18 0.00 1.69 2.07 0.00 3.21 0.00 0.00 3.11 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 83 E 8.02 4.45 0.00 1.95 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 2.24 2.26 0.00 84 V 8.06 4.91 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 0.81 0.00 0.00 1.27 0.00 0.00 85 Q 9.72 4.66 0.00 2.14 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.19 2.33 0.00 86 T 8.41 5.23 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 1.23 0.00 0.00 87 F 9.28 4.80 0.00 2.82 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 88 T 8.47 4.66 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 1.22 0.00 0.00 89 L 9.06 4.55 0.00 1.72 1.62 1.14 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 90 G 8.58 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 91 P 0.00 4.54 0.00 2.15 2.07 0.00 3.26 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 92 A 8.54 4.31 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 93 I 7.69 3.94 1.87 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 1.63 2.14 0.92 0.00 0.00 94 L 7.88 4.40 0.00 1.63 1.71 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 95 E 8.15 4.61 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 2.19 2.24 0.00 96 G 7.94 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 E 7.41 4.50 0.00 2.28 1.70 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 2.38 2.22 0.00 98 R 8.30 4.88 0.00 1.77 1.89 0.00 3.37 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.76 0.00 99 P 0.00 4.89 0.00 2.30 2.45 0.00 3.68 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 2.12 2.03 0.00 100 Q 8.16 5.23 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.73 0.00 0.00 0.00 0.00 0.00 2.23 2.16 0.00 101 V 8.22 4.38 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 0.62 0.00 0.00 0.37 0.00 0.00 102 I 8.36 4.39 1.84 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 1.24 0.44 0.91 0.00 0.00 103 V 8.69 4.17 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 1.02 0.00 0.00 0.85 0.00 0.00 104 P 0.00 4.72 0.00 2.29 1.98 0.00 3.67 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.11 0.00 105 A 8.49 4.60 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 0.00 106 N 8.80 4.04 0.00 2.87 2.81 0.00 0.00 7.13 8.32 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 0.00 107 C 7.72 4.46 0.00 3.31 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 0.00 108 W 8.97 4.93 0.00 3.74 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 Q 9.92 5.91 0.00 2.05 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.69 0.00 0.00 0.00 0.00 0.00 2.36 1.93 0.00 110 S 7.89 4.80 0.00 3.35 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 A 9.32 5.20 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 E 8.62 4.89 0.00 2.05 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 2.21 2.26 0.00 113 S 8.77 4.50 0.00 3.97 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 0.00 114 L 8.58 4.52 0.00 1.66 1.65 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 115 G 7.73 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 D 8.93 4.65 0.00 2.56 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 0.00 117 F 7.10 5.65 0.00 3.08 3.12 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 0.00 118 T 8.32 5.16 4.35 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 1.43 0.00 0.00 119 L 9.05 5.09 0.00 1.76 1.57 1.07 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 120 V 9.22 4.38 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 0.81 0.00 0.00 1.08 0.00 0.00 121 G 8.17 4.39 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 0.00 122 C 8.69 5.24 0.00 2.45 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 T 8.84 5.09 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 0.00 124 V 8.57 4.91 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 1.39 0.00 0.00 0.93 0.00 0.00 125 S 8.60 5.00 0.00 3.90 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 P 0.00 5.23 0.00 2.09 2.05 0.00 3.47 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.81 0.00 127 G 8.83 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 F 9.24 4.21 0.00 2.86 2.82 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 0.00 0.00 0.00 129 A 6.61 4.32 0.99 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 0.00 0.00 130 F 8.49 4.01 0.00 3.18 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 0.00 131 S 7.90 4.54 0.00 3.96 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 0.00 132 S 8.15 4.71 0.00 3.64 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 F 8.21 5.35 0.00 2.89 3.29 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 0.00 134 V 7.76 4.30 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 0.91 0.00 0.00 0.83 0.00 0.00 *136 A 8.38 4.27 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 E 8.09 4.27 0.00 2.12 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 2.35 2.30 0.00 138 P 0.00 4.25 0.00 2.21 2.08 0.00 3.85 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 139 G 8.95 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 0.00 140 W 7.47 4.59 0.00 3.36 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 0.00 141 S 5.81 2.93 0.00 3.31 3.16 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 0.00 142 P 0.00 3.70 0.00 1.75 1.62 0.00 3.38 0.00 0.00 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.68 0.00 * Residues marked with a * may have inaccurate shift predictions.