NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2578 8.2601 123.5915 51.9404 19.7876 175.3571 3 A 3.7810 8.5354 118.7993 51.4536 18.6386 172.3936 4 V 3.9062 9.1057 124.9086 62.7474 32.3795 174.0445 5 I 3.9545 8.9350 130.1532 64.2137 37.4972 176.8777 6 L 4.5879 7.4325 119.2359 53.4596 46.1958 174.5311 7 E 5.5153 8.7466 122.2200 55.2823 32.6103 174.2859 8 S 4.6283 9.4720 121.4183 57.5234 68.3520 172.8417 9 I 4.6927 7.8741 122.0751 60.0139 38.3958 175.2455 10 F 5.1537 8.8706 124.7988 55.5235 43.7557 173.3876 11 L 4.6319 8.4652 122.2554 53.4216 43.9158 174.8082 12 K 5.0311 9.3057 128.1332 54.5121 34.4879 175.6767 13 R 3.9147 8.4955 128.4056 55.7419 31.2197 175.4316 14 S 4.3361 7.6552 117.5334 57.8526 62.4568 174.3332 15 Q 4.0567 8.7091 126.1414 57.8491 28.7588 177.0970 16 Q 3.9993 8.1038 113.9790 56.2508 25.2502 174.4082 17 K 3.8921 8.0470 115.8197 58.5779 32.5819 177.3773 *23 L 4.2138 7.4964 119.2431 55.5418 39.8579 175.3819 24 N 5.1181 7.6902 120.2488 51.9571 41.2297 175.1923 25 F 5.2348 8.5891 117.7435 55.6996 41.9870 174.9609 26 K 4.6426 8.2754 116.7634 55.5770 36.5561 174.9476 27 K 4.8063 8.6148 122.5856 55.5652 33.2935 176.3566 28 R 4.9934 8.8693 123.0313 54.3267 35.2408 173.9154 29 L 4.9568 9.4237 124.3794 54.5165 43.5485 175.3151 30 F 5.5502 9.9014 125.7869 56.0410 41.7091 174.8921 31 L 5.7616 9.6511 122.0770 53.0536 46.0497 175.2768 32 L 5.1863 9.2006 123.9842 53.7127 44.8895 175.4961 33 T 4.8510 8.4306 115.6216 59.7943 72.1917 174.8667 34 V 3.7775 8.4322 112.6805 62.8944 32.1886 176.3113 35 H 4.9535 7.9441 116.5742 56.6997 31.5737 174.4789 36 K 5.0750 9.4941 117.2599 54.5225 37.0350 175.3764 37 L 5.2516 9.0362 126.5184 53.6457 43.8538 175.2338 38 S 5.2562 8.9815 120.5196 56.5549 67.0056 172.4649 39 Y 5.1357 7.6284 117.8987 55.5916 41.0337 173.8557 40 Y 4.9044 9.4752 119.3164 55.8142 42.8277 174.0973 41 E 4.5757 9.2244 122.3572 56.2618 31.0247 174.6923 42 Y 4.7504 8.7388 127.9110 57.0901 40.3233 174.6629 43 D 4.4538 7.8262 127.1632 52.6796 41.0709 176.6675 44 F 4.1016 8.7358 127.1593 61.1700 39.7888 176.6848 45 E 3.7331 8.3245 118.0572 60.0168 29.2426 178.8831 46 R 3.8828 8.1208 115.3234 56.3512 30.9157 176.6576 47 G 3.7769 7.4356 106.6007 45.0860 0.0000 172.0056 48 R 4.4751 7.2412 113.9713 54.9809 33.8366 175.7675 49 R 4.1813 8.7990 120.3282 56.4563 30.6233 173.9550 50 G 4.3127 8.9302 113.1085 46.3817 0.0000 176.9191 51 S 5.1423 8.9445 118.7633 55.8193 65.9348 172.7298 52 K 4.0008 8.6756 120.5757 56.6216 32.2378 177.1349 53 K 4.3577 8.5849 120.2726 54.7599 34.3838 176.7315 54 G 3.5654 5.9777 110.3384 44.9922 0.0000 171.3259 55 S 4.9208 7.7657 113.7250 56.8973 66.1054 173.3552 56 I 4.5180 8.4877 124.0886 59.7718 41.5525 174.2074 57 D 4.7196 8.8308 127.6565 54.1172 41.5524 177.3355 58 V 3.5494 9.0582 124.8925 66.1058 31.8107 177.7597 59 E 4.0358 8.3870 116.1295 59.4392 29.1850 177.6111 60 K 4.4028 8.1104 117.2804 56.3746 32.0856 176.4271 61 I 4.5652 7.4915 120.6835 60.0882 38.0886 175.7707 62 T 4.3760 8.2837 115.8368 62.8073 70.3722 174.1488 63 C 4.7547 7.5586 119.4871 58.7327 34.9389 172.5714 64 V 4.9602 8.1532 123.8273 60.6126 34.1119 173.8496 65 E 4.7386 8.5286 125.5021 55.2406 34.3738 174.3320 66 T 4.5324 8.3341 111.8422 61.8227 70.0452 173.6686 67 V 4.5755 7.9470 120.6478 60.5519 34.5962 175.2929 68 V 3.8909 8.4457 127.6529 62.2676 31.8838 174.1515 69 P 4.6984 0.0000 0.0000 62.3212 32.0324 176.0435 70 E 4.2151 9.0519 120.7657 56.8965 29.9976 177.6199 71 K 4.2006 8.6593 120.9386 58.8540 32.8307 177.4623 72 N 5.0169 7.6564 114.4561 50.6598 38.6473 171.8020 73 P 4.2730 0.0000 0.0000 61.3831 32.9005 175.7193 74 P 4.4159 0.0000 0.0000 61.7467 31.9308 175.5182 75 P 4.0589 0.0000 0.0000 65.8809 31.4116 178.2601 76 E 4.0719 8.0872 117.1874 58.0259 29.5181 177.4572 77 R 4.9669 8.3512 116.3248 55.1320 31.4237 174.6973 78 Q 4.4752 7.3405 115.7249 54.0312 30.5289 175.6858 79 I 3.7922 7.9266 121.6117 61.4823 38.0942 175.1756 *89 M 4.5718 8.0129 125.2358 55.3125 33.0781 177.7016 90 E 4.3047 8.8694 116.0808 58.3362 29.4720 177.4324 91 Q 3.9052 8.1537 119.2932 59.1170 29.1370 178.3213 92 I 4.1197 7.5766 119.5910 63.6283 37.8993 178.1364 93 S 4.0904 7.6500 114.0774 61.2536 62.5250 175.9568 94 I 3.8952 7.9306 121.1564 62.2669 37.6863 175.9945 95 I 4.8009 7.4106 111.3900 60.8786 38.1918 175.4057 96 E 4.5147 7.9795 119.6854 57.7199 31.8033 176.2819 97 R 4.5653 7.4235 115.0618 54.1708 31.2786 175.1348 98 F 4.8850 9.1311 120.8729 55.0628 39.8645 173.2543 99 P 4.4825 0.0000 0.0000 63.2694 32.3588 176.0264 100 Y 4.7937 7.2380 117.5516 56.0477 37.8377 173.6265 101 P 4.8975 0.0000 0.0000 62.1970 33.6423 174.9020 102 F 5.3692 8.3559 115.5245 55.7164 41.9195 172.7917 103 Q 4.8435 9.6724 116.9123 54.3133 32.2583 174.9142 104 V 4.4874 8.3825 120.5995 61.2466 33.9871 174.0097 105 V 4.5741 8.7931 129.3461 62.2869 32.9854 174.9222 106 Y 5.0526 8.2287 123.3657 56.4336 40.4170 172.8037 107 D 3.7166 8.3362 114.0647 58.5230 41.1265 178.0343 108 E 3.5865 7.7134 128.2285 58.1328 30.1923 176.7740 109 G 3.4818 6.0914 103.6276 43.5506 0.0000 169.8752 110 P 4.6294 0.0000 0.0000 61.4622 32.6179 175.5556 111 L 4.3655 8.4906 126.8321 53.8833 43.7061 174.5474 112 Y 4.8074 8.3309 124.4865 56.6851 39.8495 174.5649 113 V 4.0543 7.9413 125.0152 60.7475 34.2094 174.0769 114 F 4.7713 9.4154 127.8073 56.0575 40.6408 175.0089 115 S 5.4822 8.8999 119.9119 56.6982 63.4999 173.4787 116 P 4.6219 0.0000 0.0000 64.6154 31.6826 176.6852 117 T 5.0879 7.9377 108.9923 59.3233 73.0616 174.5727 118 E 3.6381 8.1412 121.6217 59.5481 29.4511 179.1338 119 E 3.9100 8.2014 118.1524 59.6504 29.3751 179.1738 120 L 4.2318 7.8204 119.8708 57.8761 42.1721 178.8958 121 R 3.7096 7.8474 118.7592 59.0266 29.9442 178.1921 122 K 3.7912 8.3235 119.8755 59.8023 32.1673 178.9068 123 R 3.8767 7.8082 117.8442 59.0989 29.8917 179.1976 124 W 3.7573 8.5559 118.9736 59.4898 29.0157 178.7734 125 I 3.5435 7.9185 120.1939 64.6714 36.5717 177.9880 126 H 4.0440 8.3982 119.2819 59.3265 29.6072 177.2788 127 Q 3.9651 8.0774 119.9264 58.6127 28.6138 178.4299 128 L 4.0480 8.1313 120.3560 57.4247 41.3740 179.7219 129 K 3.8888 7.8462 117.9369 59.3080 32.0919 178.6328 130 N 4.2682 7.6064 115.5971 56.5666 38.5895 177.3769 131 V 3.6880 7.5091 118.1551 65.1266 31.4134 176.8129 132 I 5.0309 7.2988 113.1519 60.5809 37.8930 177.7547 133 R 3.7659 7.4473 122.9727 59.8557 30.0806 176.6614 134 Y 4.5829 7.1834 112.6430 58.4421 38.3041 175.0912 135 N 4.7949 7.8051 118.7852 52.8854 39.5721 175.6807 136 S 4.5630 8.5465 113.3857 58.9425 64.7232 174.3481 137 D 4.9409 7.7185 119.9963 52.9121 39.8673 178.2412 138 L 4.6525 7.6575 118.9170 54.7157 39.1690 176.9072 139 V 3.6598 7.5552 113.5514 61.7985 32.6914 176.1950 140 Q 4.5784 8.8076 120.5876 55.7560 30.0157 174.9830 141 K 5.2983 7.8815 118.2254 54.9280 35.7459 174.8702 142 Y 4.7551 8.9363 120.4272 56.1103 41.8579 173.4414 143 H 4.3803 8.4123 117.5068 54.0684 29.4380 174.8478 144 P 4.2540 0.0000 0.0000 64.3413 31.5428 175.6103 145 C 5.1463 6.9896 114.9687 57.1812 31.7616 173.4566 146 F 4.2783 8.6487 118.9415 57.7254 40.2652 174.3590 147 W 4.9438 8.2434 127.6537 56.9605 30.7301 175.2120 148 I 3.6395 8.3356 130.8001 63.0447 35.3411 177.5065 149 D 4.2728 9.1072 126.0225 56.3573 42.0071 177.5497 150 G 4.0881 6.6434 117.0946 45.1418 0.0000 171.6577 151 Q 5.0627 5.9136 117.0702 55.3296 31.0604 171.8144 152 Y 5.3280 8.0855 114.3730 55.4099 39.5408 176.7499 153 L 4.0620 8.9796 126.0395 57.8399 41.9423 178.5879 154 C 4.3866 8.1869 112.5103 60.6740 29.9597 173.9921 155 C 4.6494 7.8527 109.7291 57.4993 32.9356 174.9226 156 S 4.1799 9.8431 115.4452 58.3047 61.3214 169.8282 157 Q 4.1373 7.9822 120.3266 56.6598 28.8338 177.3567 158 T 4.6256 8.7878 110.2222 61.7976 69.7208 174.1363 159 A 4.5819 7.8698 127.0534 50.7839 19.6380 178.1200 160 K 3.8175 9.0463 125.3106 58.5372 32.4169 176.7568 161 N 5.0062 7.8972 115.5792 52.0541 37.7894 174.4338 162 A 4.3543 7.9425 121.2995 52.5170 19.5944 177.9660 163 M 4.0011 8.6779 120.7789 55.4041 32.7492 176.2915 164 G 3.3908 8.3333 111.7846 44.9703 0.0000 173.9400 165 C 4.1906 8.1726 120.8251 60.1329 30.0278 173.2903 166 Q 4.5494 7.3961 121.4749 54.0396 32.5801 173.9659 167 I 4.2333 8.2929 125.4458 60.9961 37.9709 175.4792 168 L 4.2174 8.8231 130.1514 55.1196 42.6866 176.6163 169 E 4.3928 8.6796 126.4832 55.4966 28.9813 175.5031 170 N 3.8933 8.2923 121.1197 54.3319 39.2771 174.2269 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 A 8.26 4.26 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 A 8.54 3.78 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 4 V 9.11 3.91 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 0.90 0.00 0.00 0.97 0.00 0.00 5 I 8.94 3.95 1.88 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.60 0.81 0.00 0.00 6 L 7.43 4.59 0.00 0.49 0.91 -0.22 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.75 5.52 0.00 2.04 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 2.28 2.47 0.00 8 S 9.47 4.63 0.00 2.72 2.98 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 9 I 7.87 4.69 1.83 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.31 0.94 0.00 0.00 10 F 8.87 5.15 0.00 2.47 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.47 4.63 0.00 0.83 1.53 0.82 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 12 K 9.31 5.03 0.00 1.96 1.68 0.00 1.27 0.00 0.00 1.02 0.00 0.00 2.78 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.27 1.28 7.81 13 R 8.50 3.91 0.00 1.80 1.89 0.00 3.08 0.00 0.00 3.07 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.50 0.00 14 S 7.66 4.34 0.00 3.92 3.66 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 0.00 0.00 0.00 0.00 15 Q 8.71 4.06 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.07 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 16 Q 8.10 4.00 0.00 2.11 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 7.04 0.00 0.00 0.00 0.00 0.00 2.27 2.55 0.00 17 K 8.05 3.89 0.00 1.75 1.86 0.00 1.81 0.00 0.00 1.77 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.45 7.81 *23 L 7.50 4.21 0.00 1.58 1.74 0.91 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 24 N 7.69 5.12 0.00 2.88 2.95 0.00 0.00 5.98 8.12 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 25 F 8.59 5.23 0.00 2.78 2.95 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 26 K 8.28 4.64 0.00 1.69 1.71 0.00 1.72 0.00 0.00 1.87 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.45 7.81 27 K 8.61 4.81 0.00 1.69 1.76 0.00 1.76 0.00 0.00 1.82 0.00 0.00 3.02 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.19 1.45 7.81 28 R 8.87 4.99 0.00 1.96 2.02 0.00 3.44 0.00 0.00 3.23 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 29 L 9.42 4.96 0.00 1.97 1.80 0.98 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 30 F 9.90 5.55 0.00 2.87 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 9.65 5.76 0.00 1.80 1.70 0.90 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 32 L 9.20 5.19 0.00 1.71 1.16 1.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 33 T 8.43 4.85 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 34 V 8.43 3.78 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 0.71 0.00 0.00 0.68 0.00 0.00 35 H 7.94 4.95 0.00 3.00 3.30 0.00 5.56 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 K 9.49 5.08 0.00 1.55 1.65 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.80 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.57 1.44 7.81 37 L 9.04 5.25 0.00 1.90 1.75 1.56 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 38 S 8.98 5.26 0.00 3.40 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 39 Y 7.63 5.14 0.00 2.13 1.43 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 40 Y 9.48 4.90 0.00 2.89 2.99 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 41 E 9.22 4.58 0.00 2.11 1.89 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 2.37 2.35 0.00 42 Y 8.74 4.75 0.00 3.09 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 43 D 7.83 4.45 0.00 2.63 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 F 8.74 4.10 0.00 3.25 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 E 8.32 3.73 0.00 1.95 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 2.41 2.35 0.00 46 R 8.12 3.88 0.00 1.89 1.89 0.00 3.27 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 1.60 1.51 0.00 47 G 7.44 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 R 7.24 4.48 0.00 1.82 1.95 0.00 2.74 0.00 0.00 3.04 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.40 0.00 49 R 8.80 4.18 0.00 1.72 1.74 0.00 2.93 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.01 0.00 50 G 8.93 4.31 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 0.00 51 S 8.94 5.14 0.00 3.91 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 52 K 8.68 4.00 0.00 1.49 1.35 0.00 1.57 0.00 0.00 1.53 0.00 0.00 2.98 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.52 1.55 7.81 53 K 8.58 4.36 0.00 1.63 1.77 0.00 1.85 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.54 7.81 54 G 5.98 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 S 7.77 4.92 0.00 3.63 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 56 I 8.49 4.52 1.73 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 0.80 0.39 0.45 0.00 0.00 57 D 8.83 4.72 0.00 2.63 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.06 3.55 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.95 0.00 0.00 59 E 8.39 4.04 0.00 2.15 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 2.32 2.39 0.00 60 K 8.11 4.40 0.00 1.84 1.98 0.00 1.85 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.51 1.45 7.81 61 I 7.49 4.57 2.05 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 1.32 0.56 0.94 0.00 0.00 62 T 8.28 4.38 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 63 C 7.56 4.75 0.00 2.96 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 64 V 8.15 4.96 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 1.33 0.00 0.00 0.96 0.00 0.00 65 E 8.53 4.74 0.00 1.63 1.51 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 1.88 1.47 0.00 66 T 8.33 4.53 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 67 V 7.95 4.58 1.73 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 -0.59 0.00 0.00 0.91 0.00 0.00 68 V 8.45 3.89 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 0.88 0.00 0.00 0.98 0.00 0.00 69 P 0.00 4.70 0.00 2.33 2.18 0.00 3.92 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.08 0.00 70 E 9.05 4.22 0.00 1.95 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 2.06 2.31 0.00 71 K 8.66 4.20 0.00 1.76 1.88 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.50 7.81 72 N 7.66 5.02 0.00 2.61 2.68 0.00 0.00 6.93 8.02 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 73 P 0.00 4.27 0.00 2.10 2.00 0.00 3.82 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.93 0.00 74 P 0.00 4.42 0.00 2.09 2.10 0.00 3.48 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.69 0.00 75 P 0.00 4.06 0.00 2.13 2.11 0.00 3.51 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.07 0.00 76 E 8.09 4.07 0.00 1.92 1.77 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 2.42 2.60 0.00 77 R 8.35 4.97 0.00 1.53 1.64 0.00 2.23 0.00 0.00 2.25 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.99 0.00 78 Q 7.34 4.48 0.00 2.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.15 6.89 0.00 0.00 0.00 0.00 0.00 2.31 2.41 0.00 79 I 7.93 3.79 1.88 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 1.16 0.42 1.00 0.00 0.00 *89 M 8.01 4.57 0.00 2.08 1.21 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.54 0.00 90 E 8.87 4.30 0.00 2.24 2.19 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 2.37 2.23 0.00 91 Q 8.15 3.91 0.00 2.09 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.98 0.00 0.00 0.00 0.00 0.00 2.40 2.54 0.00 92 I 7.58 4.12 1.86 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 1.71 0.62 0.90 0.00 0.00 93 S 7.65 4.09 0.00 4.01 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 0.00 94 I 7.93 3.90 2.00 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 1.59 0.82 0.95 0.00 0.00 95 I 7.41 4.80 1.96 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 1.42 0.86 0.94 0.00 0.00 96 E 7.98 4.51 0.00 2.06 1.89 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 2.17 2.22 0.00 97 R 7.42 4.57 0.00 1.82 1.87 0.00 2.75 0.00 0.00 3.07 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.34 0.00 98 F 9.13 4.88 0.00 3.11 3.25 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 99 P 0.00 4.48 0.00 1.46 1.92 0.00 3.31 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.46 0.00 100 Y 7.24 4.79 0.00 3.09 3.03 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 0.00 101 P 0.00 4.90 0.00 1.63 0.86 0.00 3.84 0.00 0.00 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.23 0.00 102 F 8.36 5.37 0.00 3.12 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 0.00 103 Q 9.67 4.84 0.00 1.84 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.77 0.00 0.00 0.00 0.00 0.00 2.51 2.29 0.00 104 V 8.38 4.49 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 0.90 0.00 0.00 1.05 0.00 0.00 105 V 8.79 4.57 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 0.92 0.00 0.00 0.94 0.00 0.00 106 Y 8.23 5.05 0.00 3.35 2.87 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 0.00 107 D 8.34 3.72 0.00 2.67 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 0.00 108 E 7.71 3.59 0.00 1.60 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 2.25 2.29 0.00 109 G 6.09 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 0.00 0.00 0.00 110 P 0.00 4.63 0.00 1.25 1.75 0.00 3.41 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 111 L 8.49 4.37 0.00 1.89 1.62 0.80 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 112 Y 8.33 4.81 0.00 3.13 2.96 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 0.00 113 V 7.94 4.05 0.67 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 -0.39 0.00 0.00 0.19 0.00 0.00 114 F 9.42 4.77 0.00 3.18 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 0.00 115 S 8.90 5.48 0.00 3.96 4.13 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 0.00 116 P 0.00 4.62 0.00 2.16 1.91 0.00 3.91 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.14 0.00 117 T 7.94 5.09 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 1.30 0.00 0.00 118 E 8.14 3.64 0.00 1.69 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 1.72 1.47 0.00 119 E 8.20 3.91 0.00 1.99 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 2.37 2.34 0.00 120 L 7.82 4.23 0.00 1.92 2.05 1.26 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 121 R 7.85 3.71 0.00 1.95 1.99 0.00 3.43 0.00 0.00 3.47 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.38 0.00 122 K 8.32 3.79 0.00 1.90 1.96 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.45 7.81 123 R 7.81 3.88 0.00 2.10 1.91 0.00 3.18 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.81 0.00 124 W 8.56 3.76 0.00 3.06 3.07 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 0.00 125 I 7.92 3.54 1.94 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.41 0.82 0.00 0.00 126 H 8.40 4.04 0.00 3.17 3.27 0.00 5.58 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 Q 8.08 3.97 0.00 2.07 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.29 0.00 128 L 8.13 4.05 0.00 1.88 1.73 1.16 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 129 K 7.85 3.89 0.00 1.74 1.74 0.00 1.63 0.00 0.00 1.60 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.50 7.81 130 N 7.61 4.27 0.00 2.78 2.77 0.00 0.00 7.04 7.81 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 0.00 131 V 7.51 3.69 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.92 0.00 0.00 132 I 7.30 5.03 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.03 1.00 0.00 0.00 133 R 7.45 3.77 0.00 1.49 1.36 0.00 3.09 0.00 0.00 3.14 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.52 0.00 134 Y 7.18 4.58 0.00 3.04 2.90 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 0.00 0.00 0.00 135 N 7.81 4.79 0.00 2.93 2.76 0.00 0.00 6.59 7.23 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 0.00 136 S 8.55 4.56 0.00 3.97 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 0.00 137 D 7.72 4.94 0.00 2.81 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 0.00 138 L 7.66 4.65 0.00 1.65 1.67 0.92 1.06 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 0.00 139 V 7.56 3.66 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 0.73 0.00 0.00 1.02 0.00 0.00 140 Q 8.81 4.58 0.00 1.97 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.85 0.00 0.00 0.00 0.00 0.00 2.37 2.31 0.00 141 K 7.88 5.30 0.00 1.57 1.81 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.41 7.81 142 Y 8.94 4.76 0.00 2.96 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 0.00 143 H 8.41 4.38 0.00 2.70 2.75 0.00 5.62 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 P 0.00 4.25 0.00 2.05 2.00 0.00 3.28 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.22 0.00 145 C 6.99 5.15 0.00 3.12 2.90 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 0.00 0.00 0.00 146 F 8.65 4.28 0.00 2.95 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 0.00 147 W 8.24 4.94 0.00 3.47 3.28 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 0.00 148 I 8.34 3.64 1.73 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 1.39 0.68 0.82 0.00 0.00 149 D 9.11 4.27 0.00 2.43 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 0.00 150 G 6.64 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 0.00 151 Q 5.91 5.06 0.00 2.24 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.57 6.80 0.00 0.00 0.00 0.00 0.00 2.09 2.21 0.00 152 Y 8.09 5.33 0.00 3.01 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 0.00 153 L 8.98 4.06 0.00 1.71 1.82 1.03 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 154 C 8.19 4.39 0.00 3.02 3.03 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 0.00 155 C 7.85 4.65 0.00 3.10 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 0.00 156 S 9.84 4.18 0.00 4.10 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 Q 7.98 4.14 0.00 2.39 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.99 0.00 0.00 0.00 0.00 0.00 2.54 2.49 0.00 158 T 8.79 4.63 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 1.21 0.00 0.00 159 A 7.87 4.58 1.43 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 0.00 0.00 160 K 9.05 3.82 0.00 1.08 1.52 0.00 1.18 0.00 0.00 1.08 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.81 0.21 7.81 161 N 7.90 5.01 0.00 2.81 2.77 0.00 0.00 5.99 7.26 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 0.00 162 A 7.94 4.35 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 M 8.68 4.00 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.54 0.00 164 G 8.33 3.39 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 0.00 165 C 8.17 4.19 0.00 3.04 3.07 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 0.00 166 Q 7.40 4.55 0.00 1.84 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.05 0.00 0.00 0.00 0.00 0.00 2.21 2.26 0.00 167 I 8.29 4.23 1.90 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 1.24 0.65 0.94 0.00 0.00 168 L 8.82 4.22 0.00 1.72 1.68 0.60 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 169 E 8.68 4.39 0.00 2.01 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 2.26 2.32 0.00 170 N 8.29 3.89 0.00 2.61 2.59 0.00 0.00 7.08 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 * Residues marked with a * may have inaccurate shift predictions.