NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.6088 8.3649 120.5344 54.3112 42.1816 173.8971 3 Q 4.5315 8.2390 119.4646 53.7704 32.8934 174.2640 4 L 4.5078 8.0144 119.0307 54.5264 41.7202 177.6488 5 T 4.2071 7.4532 110.6690 61.1553 71.4870 174.6693 6 E 3.9228 8.7770 122.3253 60.0023 29.4934 179.1860 7 E 3.9198 8.3275 118.3130 59.5953 29.4576 178.5376 8 Q 3.8929 8.0270 118.5405 59.3365 29.1201 178.0269 9 I 4.0363 8.1895 120.6691 64.7586 37.2545 177.9541 10 A 4.0688 8.8510 121.9086 55.5398 18.0771 179.6366 11 E 3.8852 8.5555 117.0376 59.6060 29.5825 179.3437 12 F 4.5307 8.3690 118.0009 60.7134 39.0134 177.2769 13 K 3.8196 8.9178 119.5845 60.2272 31.8029 177.4699 14 E 3.9260 8.3668 118.4885 59.6931 29.1789 178.3677 15 A 4.1972 8.2873 120.8401 55.5386 19.0093 179.1467 16 F 4.0845 9.0395 119.1579 61.6440 39.3607 177.3647 17 S 4.2461 8.9378 111.7383 61.2528 62.2415 175.6971 18 L 3.9667 8.4368 120.8431 56.2503 41.3018 177.3004 19 F 4.7888 7.7552 116.9350 57.3435 40.6826 175.2585 20 D 5.4324 7.9921 118.8298 51.2214 39.8752 176.2085 21 K 3.7663 8.0869 121.1277 59.9975 32.8076 178.4983 22 D 4.2904 8.0306 117.3851 55.5513 41.1098 176.8428 23 G 4.1510 8.4289 107.1229 45.6305 0.0000 174.4712 24 D 4.9247 7.6297 125.3956 53.6819 38.9135 177.5188 25 G 4.4786 8.6210 101.5824 44.8714 0.0000 172.2350 26 T 5.2143 8.8268 115.5374 61.5537 72.6683 174.1752 27 I 4.6459 8.2733 118.7773 59.2293 40.7872 175.6819 28 T 4.8691 8.4634 114.9983 60.5878 70.5679 175.7120 29 T 3.8616 8.5740 117.6550 66.7432 68.7290 176.6128 30 K 4.0602 7.9633 119.6926 59.6257 32.1700 178.7284 31 E 3.8842 8.5121 119.0874 59.5564 29.1763 179.1129 32 L 3.9064 8.2752 119.4324 58.2971 42.1596 178.7434 33 G 4.0572 7.5760 103.6510 48.8589 0.0000 174.8284 34 T 3.7159 7.9748 117.8273 65.8821 66.7469 175.9605 35 V 3.2655 7.6042 119.9007 64.5621 32.7182 177.9968 *37 R 5.1295 7.9691 118.4505 56.2888 31.6582 177.1557 38 S 4.3419 8.5335 109.9962 59.7129 62.1486 174.0430 39 L 4.7149 7.3142 116.1044 55.0071 43.0988 177.4609 40 G 3.9803 8.4751 106.6262 45.5124 0.0000 174.3538 41 Q 4.3291 7.6880 118.7250 55.4380 30.1170 174.7741 42 N 5.1683 8.2170 117.8714 50.8384 38.6924 172.1547 43 P 4.4642 0.0000 0.0000 63.1395 32.7350 177.0928 44 T 4.4600 8.6337 113.5294 60.2794 71.6233 175.4100 45 E 3.8546 8.7913 123.4712 59.7692 29.4604 179.0119 46 A 3.9638 8.0298 119.7572 55.3842 18.2576 178.8761 47 E 4.0049 8.1916 115.8453 59.9877 29.7250 179.6383 48 L 4.1446 8.2091 117.5822 57.7989 41.9200 179.1478 49 Q 4.1647 8.2408 119.6557 59.0267 28.9636 177.8967 50 D 4.4179 8.5865 117.3428 55.7460 40.9069 178.3123 *52 I 4.2114 7.6671 122.0209 61.5770 39.0320 177.0414 53 N 4.4479 8.4921 117.1570 56.4082 38.3533 176.5882 54 E 3.1115 7.9596 111.9947 60.3744 30.0025 179.9644 55 V 3.7640 7.7440 123.1324 62.9284 33.8258 175.3901 56 D 4.2852 8.6510 117.6009 54.9495 38.6056 173.6895 57 A 4.0233 7.7823 121.9683 54.7958 19.0567 178.5771 58 D 4.4902 8.1913 113.5708 54.4881 40.6188 176.2739 59 G 4.1397 8.5122 108.0146 46.1838 0.0000 175.3515 60 N 4.2421 8.3999 118.9440 54.4303 38.9679 177.3085 61 G 4.0301 8.2519 105.5485 45.3392 0.0000 173.3415 62 T 4.9551 6.8266 108.3452 60.1648 70.8509 173.9537 63 I 4.3295 7.5736 115.6499 61.0737 41.2750 173.3040 64 D 4.6489 8.8498 129.2586 53.8474 41.8976 177.2068 65 F 3.0837 8.7683 121.8195 60.8830 39.1592 175.1743 66 P 4.1107 0.0000 0.0000 65.8489 30.7232 178.1389 67 E 3.8594 8.0722 116.3139 59.3758 29.2111 178.9062 68 F 4.1973 8.2496 119.4618 61.3592 39.4495 176.3331 69 L 3.1236 7.8206 118.7785 57.8186 43.2563 176.9852 70 T 3.7508 7.5896 117.3521 63.4465 65.8927 173.9990 *73 A 4.0928 7.5954 125.2880 52.0977 21.1326 178.6914 74 R 3.9248 7.6001 114.2390 59.6057 30.9358 178.4292 75 K 4.2308 7.6088 117.6175 56.0071 30.2557 178.1045 *77 K 4.2591 7.6451 115.5276 56.3753 34.6573 176.3884 78 D 4.5808 8.0637 118.4736 55.1455 41.6705 175.9248 79 T 4.6965 7.7294 114.9996 61.9018 71.1439 172.9359 80 D 5.0997 7.9331 124.4150 50.7249 42.4918 176.8782 81 S 4.2712 8.7984 115.6963 62.0350 62.3527 176.3842 82 E 3.8869 8.1980 121.9093 59.2856 29.3726 178.2618 83 E 3.9837 8.1213 117.9920 59.6553 29.5008 179.3854 84 E 3.9812 8.1758 117.6651 59.5144 29.6927 178.9452 85 I 3.7942 7.7538 119.7451 64.7911 37.2898 178.2239 86 R 4.0509 8.4477 119.4068 59.6931 29.6514 178.3559 87 E 4.0181 8.4615 117.4368 59.6245 29.6770 178.4574 88 A 4.0328 8.4307 120.7263 55.8184 18.3515 179.3808 89 F 3.9593 8.4597 114.6024 60.9218 39.1191 178.3662 90 R 4.1051 8.3009 117.3504 59.0692 29.5331 179.0762 91 V 3.6003 7.9679 117.8895 66.0853 31.6109 177.5817 92 F 4.4123 8.4452 114.7570 58.0873 40.2377 175.7922 93 D 4.9241 8.0302 120.6248 51.7580 39.3723 176.1156 94 K 3.7936 8.2079 121.7315 59.6987 32.5911 177.7822 95 D 4.4321 8.1042 116.5673 53.4816 40.2737 176.0382 96 G 3.9935 7.9043 108.9739 46.9983 0.0000 173.1935 97 N 4.9160 8.9815 113.0802 52.5964 38.4042 177.8007 98 G 3.8373 8.8162 106.9199 46.6519 0.0000 173.8924 99 Y 5.0262 7.4699 117.3667 56.1084 40.0258 174.8303 100 I 4.7283 8.1327 115.6001 58.3148 41.2714 175.2874 101 S 4.3992 8.5912 114.3165 57.2796 62.5907 173.6629 102 A 4.0132 8.7581 132.1926 56.1958 18.0919 177.8886 103 A 3.9534 8.3163 118.2013 54.5925 18.1689 179.1049 104 E 4.0003 9.3177 115.0857 60.0509 29.8119 178.9474 105 L 3.6962 8.6254 118.9352 57.2394 41.8783 178.8246 106 R 3.9292 8.1003 121.0327 60.4681 30.9893 177.5271 107 H 4.1254 8.9770 117.7493 59.5962 29.7757 177.0580 108 V 3.3707 8.3847 117.8714 64.0215 32.3684 178.3109 *110 T 4.1964 7.9198 106.4966 60.9181 70.0588 174.9853 111 N 3.9482 7.4368 117.4056 57.3107 38.3041 176.5543 112 L 4.0780 7.7834 127.8845 57.9713 42.9516 179.1904 113 G 3.6984 7.7763 104.7066 46.7036 0.0000 174.6863 114 E 4.3657 8.1766 119.5350 58.4547 30.3847 178.4462 115 K 4.0933 7.6701 118.1930 57.2242 32.3516 176.8070 116 L 5.3791 7.1081 116.0902 51.7437 45.3554 175.7224 117 T 4.6603 7.8726 110.2046 59.9628 71.5673 175.2719 118 D 4.3703 8.5486 124.4021 57.4733 40.9341 179.3990 119 E 3.8832 8.1429 119.2627 59.4808 29.8362 178.2507 120 E 3.9093 8.1936 118.5875 59.5537 29.1812 179.7807 121 V 3.4230 7.4562 116.9676 65.9495 32.0995 177.1697 122 D 4.5373 7.8479 118.0004 57.3651 40.5893 178.9866 123 E 3.8611 8.5156 117.8502 57.4738 29.8315 178.3809 *125 I 4.2961 7.7676 119.6700 60.9056 39.3459 178.0928 126 R 3.6351 8.4277 120.4575 59.3591 29.9490 177.4806 127 E 3.9990 7.8139 116.9068 58.2842 29.8841 176.8480 128 A 4.1298 7.0909 121.2552 52.5505 19.1732 177.3539 129 D 4.6286 7.8187 120.6969 52.8854 39.5687 176.2317 130 I 4.1733 7.4456 122.2994 60.7969 38.8530 176.0546 131 D 4.9501 8.4772 123.8487 51.8386 41.8157 176.4942 132 G 3.6058 8.6923 106.9613 49.6971 0.0000 174.6414 133 D 4.3819 7.9241 117.1844 54.4365 40.6321 177.6568 134 G 4.0649 7.9862 108.0905 45.1121 0.0000 174.3569 135 Q 4.1799 8.2991 120.1253 56.2348 29.3274 176.1688 136 V 4.5252 7.8172 119.3423 59.8497 34.7002 174.2896 137 N 4.3579 8.3946 121.0632 52.8972 38.7087 175.1333 138 Y 4.3081 8.4207 126.0179 60.1597 37.7718 178.0704 139 E 4.0249 7.6582 120.2229 59.5800 29.3722 178.6321 140 E 3.8737 7.6371 117.4430 59.6129 29.5243 178.7740 141 F 4.7571 7.7568 116.3791 60.3224 39.2298 177.2599 142 V 3.9227 8.0868 117.4991 65.6176 32.6612 176.6224 143 Q 4.4405 8.5020 122.5927 55.6442 26.1155 176.4040 *146 T 4.1319 7.8524 114.1545 61.4174 69.2230 174.7749 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 D 8.36 4.61 0.00 2.70 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 3 Q 8.24 4.53 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 7.59 0.00 0.00 0.00 0.00 0.00 2.25 2.51 0.00 4 L 8.01 4.51 0.00 1.64 1.67 0.85 0.92 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 5 T 7.45 4.21 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 1.23 0.00 0.00 6 E 8.78 3.92 0.00 2.05 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 0.00 2.44 2.44 0.00 7 E 8.33 3.92 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.40 0.00 8 Q 8.03 3.89 0.00 2.24 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.64 0.00 0.00 0.00 0.00 0.00 2.80 2.80 0.00 9 I 8.19 4.04 2.13 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.79 1.17 0.00 0.00 10 A 8.85 4.07 1.40 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 0.00 0.00 11 E 8.56 3.89 0.00 1.98 1.87 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 2.30 2.58 0.00 12 F 8.37 4.53 0.00 3.65 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.92 3.82 0.00 1.83 1.94 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.35 0.00 0.00 2.22 0.00 0.00 0.00 0.00 1.18 1.22 7.81 14 E 8.37 3.93 0.00 2.18 2.24 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 2.45 2.45 0.00 15 A 8.29 4.20 1.62 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 16 F 9.04 4.08 0.00 3.31 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.94 4.25 0.00 3.95 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 0.00 18 L 8.44 3.97 0.00 1.73 0.89 0.90 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.76 4.79 0.00 2.93 2.92 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 20 D 7.99 5.43 0.00 2.41 2.42 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 21 K 8.09 3.77 0.00 1.86 1.95 0.00 1.77 0.00 0.00 1.61 0.00 0.00 3.08 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.57 7.81 22 D 8.03 4.29 0.00 2.62 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 23 G 8.43 4.15 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 0.00 24 D 7.63 4.92 0.00 2.82 2.56 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 25 G 8.62 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 0.00 0.00 0.00 0.00 26 T 8.83 5.21 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 27 I 8.27 4.65 1.60 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.89 -0.21 0.00 0.00 28 T 8.46 4.87 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 1.32 0.00 0.00 29 T 8.57 3.86 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 1.25 0.00 0.00 30 K 7.96 4.06 0.00 1.74 1.83 0.00 1.88 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.47 7.81 31 E 8.51 3.88 0.00 2.12 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.32 0.00 32 L 8.28 3.91 0.00 1.66 1.91 1.01 1.11 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 33 G 7.58 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 34 T 7.97 3.72 4.15 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 0.07 0.00 0.00 35 V 7.60 3.27 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 1.00 0.00 0.00 0.83 0.00 0.00 *37 R 7.97 5.13 0.00 1.93 1.96 0.00 3.43 0.00 0.00 3.21 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 38 S 8.53 4.34 0.00 3.49 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 39 L 7.31 4.71 0.00 1.75 1.63 1.24 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 40 G 8.48 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 41 Q 7.69 4.33 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.95 0.00 0.00 0.00 0.00 0.00 2.52 2.41 0.00 42 N 8.22 5.17 0.00 2.63 2.71 0.00 0.00 7.04 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 43 P 0.00 4.46 0.00 2.09 2.02 0.00 3.73 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 44 T 8.63 4.46 4.25 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 1.27 0.00 0.00 45 E 8.79 3.85 0.00 2.10 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 2.39 2.47 0.00 46 A 8.03 3.96 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 47 E 8.19 4.00 0.00 2.23 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 48 L 8.21 4.14 0.00 1.85 1.74 0.98 1.04 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 49 Q 8.24 4.16 0.00 2.37 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.98 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 50 D 8.59 4.42 0.00 2.87 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 *52 I 7.67 4.21 1.88 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 1.43 0.37 0.93 0.00 0.00 53 N 8.49 4.45 0.00 2.99 2.86 0.00 0.00 7.02 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 54 E 7.96 3.11 0.00 1.92 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.45 0.00 55 V 7.74 3.76 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 0.82 0.00 0.00 0.91 0.00 0.00 56 D 8.65 4.29 0.00 2.93 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 57 A 7.78 4.02 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 58 D 8.19 4.49 0.00 2.81 2.73 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 59 G 8.51 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 0.00 0.00 0.00 60 N 8.40 4.24 0.00 3.11 2.91 0.00 0.00 7.06 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 61 G 8.25 4.03 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 0.00 0.00 0.00 62 T 6.83 4.96 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 1.23 0.00 0.00 63 I 7.57 4.33 1.94 0.00 0.00 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 1.54 1.58 1.09 0.00 0.00 64 D 8.85 4.65 0.00 2.97 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 F 8.77 3.08 0.00 2.54 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 P 0.00 4.11 0.00 2.17 2.09 0.00 3.62 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.31 0.00 67 E 8.07 3.86 0.00 2.15 2.00 0.00 0.00 0.00 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 2.36 0.00 68 F 8.25 4.20 0.00 2.92 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 69 L 7.82 3.12 0.00 1.10 1.30 1.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 70 T 7.59 3.75 4.25 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 1.12 0.00 0.00 *73 A 7.60 4.09 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 74 R 7.60 3.92 0.00 1.67 1.89 0.00 3.23 0.00 0.00 3.19 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.56 0.00 75 K 7.61 4.23 0.00 1.84 1.77 0.00 1.74 0.00 0.00 1.87 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.37 7.81 *77 K 7.65 4.26 0.00 1.89 1.97 0.00 1.67 0.00 0.00 1.66 0.00 0.00 3.06 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.37 7.81 78 D 8.06 4.58 0.00 2.70 2.73 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 79 T 7.73 4.70 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 80 D 7.93 5.10 0.00 2.74 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 81 S 8.80 4.27 0.00 4.08 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 82 E 8.20 3.89 0.00 2.09 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 2.38 2.41 0.00 83 E 8.12 3.98 0.00 2.21 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 2.35 2.48 0.00 84 E 8.18 3.98 0.00 2.04 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 2.43 2.62 0.00 85 I 7.75 3.79 2.17 0.00 0.00 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 1.60 1.36 1.15 0.00 0.00 86 R 8.45 4.05 0.00 2.00 2.12 0.00 3.11 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 87 E 8.46 4.02 0.00 2.15 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 2.51 2.51 0.00 88 A 8.43 4.03 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 89 F 8.46 3.96 0.00 3.35 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 90 R 8.30 4.11 0.00 2.16 2.05 0.00 3.46 0.00 0.00 3.13 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.87 0.00 91 V 7.97 3.60 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.91 0.00 0.00 92 F 8.45 4.41 0.00 3.22 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 93 D 8.03 4.92 0.00 2.86 2.77 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 94 K 8.21 3.79 0.00 1.81 1.86 0.00 1.81 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.50 1.43 7.81 95 D 8.10 4.43 0.00 2.82 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 96 G 7.90 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 0.00 0.00 0.00 97 N 8.98 4.92 0.00 2.94 3.10 0.00 0.00 6.97 6.84 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 98 G 8.82 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 99 Y 7.47 5.03 0.00 2.95 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.13 4.73 2.09 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 1.46 0.66 1.21 0.00 0.00 101 S 8.59 4.40 0.00 3.98 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 0.00 102 A 8.76 4.01 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 0.00 103 A 8.32 3.95 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 0.00 104 E 9.32 4.00 0.00 2.30 2.30 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 2.41 2.43 0.00 105 L 8.63 3.70 0.00 1.47 1.70 -0.10 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 106 R 8.10 3.93 0.00 1.94 2.19 0.00 3.35 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 107 H 8.98 4.13 0.00 3.24 3.44 0.00 5.86 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 V 8.38 3.37 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 1.10 0.00 0.00 *110 T 7.92 4.20 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 1.23 0.00 0.00 111 N 7.44 3.95 0.00 2.83 2.75 0.00 0.00 6.80 6.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 L 7.78 4.08 0.00 1.52 1.80 0.87 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 113 G 7.78 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 0.00 0.00 0.00 114 E 8.18 4.37 0.00 2.19 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 2.65 2.32 0.00 115 K 7.67 4.09 0.00 1.65 1.91 0.00 1.52 0.00 0.00 1.93 0.00 0.00 3.16 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.53 7.81 116 L 7.11 5.38 0.00 1.59 1.47 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 117 T 7.87 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 1.20 0.00 0.00 118 D 8.55 4.37 0.00 2.73 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 0.00 119 E 8.14 3.88 0.00 2.02 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 120 E 8.19 3.91 0.00 2.27 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 121 V 7.46 3.42 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.85 0.00 0.00 122 D 7.85 4.54 0.00 2.86 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 0.00 123 E 8.52 3.86 0.00 2.06 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 2.31 2.37 0.00 *125 I 7.77 4.30 1.79 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.89 0.94 0.00 0.00 126 R 8.43 3.64 0.00 1.85 2.10 0.00 3.23 0.00 0.00 3.12 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.50 0.00 127 E 7.81 4.00 0.00 1.92 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 128 A 7.09 4.13 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 0.00 129 D 7.82 4.63 0.00 2.61 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 I 7.45 4.17 1.92 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 1.43 0.86 1.17 0.00 0.00 131 D 8.48 4.95 0.00 2.81 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 0.00 132 G 8.69 3.61 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 0.00 0.00 0.00 133 D 7.92 4.38 0.00 2.68 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 0.00 134 G 7.99 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 0.00 135 Q 8.30 4.18 0.00 2.49 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.67 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 136 V 7.82 4.53 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 0.65 0.00 0.00 0.41 0.00 0.00 137 N 8.39 4.36 0.00 2.59 2.56 0.00 0.00 6.83 7.56 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 0.00 138 Y 8.42 4.31 0.00 3.24 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 0.00 139 E 7.66 4.02 0.00 1.99 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 1.97 2.35 0.00 140 E 7.64 3.87 0.00 1.82 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 2.19 2.29 0.00 141 F 7.76 4.76 0.00 3.42 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 0.00 142 V 8.09 3.92 2.40 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 0.87 0.00 0.00 1.24 0.00 0.00 143 Q 8.50 4.44 0.00 2.04 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.32 0.00 0.00 0.00 0.00 0.00 2.39 2.31 0.00 *146 T 7.85 4.13 4.26 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 1.31 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.