NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 S 4.3438 8.1933 115.2648 57.7952 63.4664 174.6842 6 D 3.6607 8.6334 126.7744 56.5295 40.7423 175.8814 7 R 4.2521 8.5246 117.2355 56.8558 31.2864 176.3284 8 T 3.0494 7.9640 113.9518 62.2462 70.2279 175.4623 9 D 4.3246 7.1746 122.4518 52.4265 37.9389 175.4747 10 W 4.9202 7.2246 122.9563 59.8770 29.6489 177.0439 11 V 3.9086 8.1285 116.3392 66.5487 31.3151 177.5378 12 A 4.2231 8.2598 119.8919 54.9546 18.0880 179.6498 13 L 4.5283 8.0305 117.3453 55.2598 41.9042 179.4959 *15 R 4.2398 8.1171 119.6734 56.2158 32.4201 178.0315 16 A 3.9583 7.8379 119.3517 55.2041 17.7719 179.6876 17 I 3.7574 7.8202 120.8676 64.6317 37.0058 179.4534 18 R 3.8631 7.7777 120.3643 61.4974 29.4543 180.5764 19 D 4.8971 8.1869 118.0555 55.3176 41.3674 177.1745 20 H 4.8593 7.9752 113.1876 54.3486 30.2889 173.3406 21 R 3.4207 7.5664 115.8848 56.9485 28.2160 177.8059 22 D 4.6601 8.0022 116.8631 54.0752 40.8770 174.6506 23 E 4.1793 8.9057 126.6748 59.3916 29.6713 178.6653 24 A 4.0976 8.3482 119.9803 55.1952 18.2789 179.4256 25 A 4.0388 8.7241 119.4241 55.3409 18.5542 179.3862 26 F 4.2638 8.6014 119.0209 61.6650 39.4059 177.0035 27 A 4.0015 8.9044 120.4876 55.3091 17.7769 179.2018 28 E 4.0295 8.5211 116.9943 59.7499 29.5612 179.4506 29 L 3.9426 8.2515 118.7044 57.9453 41.7815 179.4974 30 F 3.7557 8.2869 120.5897 61.3687 39.1303 176.8427 31 Q 4.1719 8.2623 117.6047 58.7128 29.2602 176.9994 32 H 4.4603 7.4734 117.8100 58.2066 30.7724 176.6910 33 F 3.7468 7.8756 119.4480 59.7981 38.7114 177.4486 34 A 3.6191 7.5001 120.6610 54.9830 18.0276 178.1326 35 P 4.2104 0.0000 0.0000 65.1481 31.2928 179.0286 36 K 4.0277 7.1967 116.4976 59.1895 32.1004 179.4733 37 V 3.7583 8.1898 118.9223 65.4250 31.1089 178.1953 38 K 3.9975 7.8806 119.1921 59.4789 32.2534 178.5883 39 G 3.8400 7.8729 104.5809 47.7875 0.0000 175.0068 40 F 4.3769 8.7124 123.2030 60.9231 39.6843 179.2701 41 L 4.4062 8.0062 118.7322 54.6581 41.1337 179.3212 *43 K 3.9155 8.1341 120.2184 56.3578 33.8612 177.5374 44 S 4.1528 7.3088 110.3802 58.6144 62.3705 174.2197 45 G 4.1143 7.4582 108.0310 46.4393 0.0000 173.5497 46 S 4.7495 7.4205 114.4500 55.9772 64.9895 174.5376 47 V 3.6763 8.3694 123.3646 62.8986 32.0913 176.6947 48 A 3.8831 8.3962 129.5743 55.3366 18.4556 179.7880 49 S 4.0375 8.1507 111.9291 61.8356 62.9619 176.3070 50 Q 3.9787 8.4572 122.6731 58.2939 28.6828 177.9032 51 A 3.9662 7.7642 121.7624 54.9471 18.5101 178.8013 52 E 3.8121 8.4032 118.1996 59.4125 29.7133 178.4507 53 E 3.9120 7.8802 119.2853 59.7425 29.6474 178.4606 54 C 4.0973 8.0816 118.1005 62.5067 31.3646 174.7295 55 A 3.9087 8.5669 121.9679 55.7989 17.9717 179.1467 56 Q 4.2560 8.3719 115.9384 59.2047 29.1710 178.8342 57 D 4.5594 8.0685 118.9621 56.9470 41.1522 178.7975 58 V 3.7692 8.0208 116.5056 63.3845 31.4160 177.3587 *60 A 4.4166 7.9753 121.8737 52.1154 20.5919 180.0690 61 T 3.9834 8.1757 112.5966 66.6988 67.9383 176.9407 62 V 3.6730 8.1212 120.4162 65.8723 31.1960 177.9304 63 W 4.4608 8.2334 126.8707 60.2278 30.7403 177.8725 64 Q 4.2076 7.9893 116.9295 58.9120 28.5352 177.9261 65 K 4.4142 8.5910 117.7942 56.4534 31.9902 178.5142 66 A 3.9052 7.6294 126.6643 55.8127 18.3805 180.4421 67 H 4.2753 8.0805 109.7566 58.1904 28.8405 176.6062 68 L 4.1844 8.2904 120.2618 56.3316 41.7513 177.1479 69 F 3.2952 7.1851 121.7757 57.5657 39.5862 174.2557 70 D 4.2813 7.0654 126.6658 51.0773 41.5259 173.9142 71 P 4.2612 0.0000 0.0000 63.1687 31.2089 177.3666 72 S 4.4867 8.0882 113.3448 58.8952 63.8152 174.9455 73 R 4.4545 7.8709 118.2549 56.1274 31.5970 175.2891 74 A 4.5848 7.2320 119.1342 50.0012 22.0960 175.5776 75 S 4.9191 8.3924 114.8880 57.7438 65.7204 175.5916 76 V 3.3309 8.5019 121.7942 66.1057 31.2874 178.1089 77 A 3.5720 7.9682 120.0202 55.2119 18.1347 179.6885 78 T 3.8620 7.9957 114.3661 66.5175 68.6325 176.6920 79 W 4.4315 8.4837 130.3355 60.8556 30.7024 178.0968 80 I 3.2937 7.8885 119.7079 63.9931 36.3725 178.2184 81 F 3.8844 7.9818 121.6051 61.3380 39.0543 177.1939 82 T 3.6380 8.0455 115.6268 66.8508 68.2408 176.6154 83 I 3.5722 7.2365 121.1156 63.7278 37.0244 178.4545 84 A 3.8486 7.6903 122.1443 55.1315 18.0763 179.9644 85 R 3.8546 7.2948 113.0012 59.0072 29.5579 178.0860 86 N 4.4195 7.5364 116.7781 55.3553 39.0252 175.9049 87 R 4.5204 7.2913 116.2877 54.7720 32.3007 175.7744 88 R 3.6400 7.4516 120.3480 56.9184 30.4296 175.9220 89 I 4.0316 8.2712 125.6001 59.3610 36.6090 172.9177 *94 K 4.1584 8.2310 125.5388 53.9117 33.0361 172.4887 95 D 4.9300 7.9890 117.5790 54.6991 43.1146 175.6153 96 R 4.5006 7.8227 116.9527 56.5120 32.4125 173.9057 97 Q 4.4940 8.0635 121.4300 59.0575 29.5756 174.2634 98 P 3.9002 0.0000 0.0000 60.5820 29.6749 174.8799 99 E 4.7716 8.3558 120.2559 53.1648 32.1681 173.9746 100 P 4.4137 0.0000 0.0000 62.1159 32.0278 175.4653 101 E 3.7373 8.6363 119.0231 56.9709 29.6199 176.7082 102 D 4.4853 8.5910 125.3723 53.9298 40.1229 176.0579 103 L 4.1225 8.2093 125.7406 52.8469 41.7876 176.2666 104 F 4.9461 7.0990 117.5229 54.5500 41.0759 174.4555 105 W 4.6795 9.0191 121.8235 55.3113 29.1803 176.7116 106 G 3.7260 9.1611 113.3359 48.6418 0.0000 172.9515 *109 S 4.3003 7.7195 116.1968 58.7755 64.1047 173.3789 110 E 4.1638 7.9410 115.2933 53.6308 33.0877 171.0597 111 P 3.3724 0.0000 0.0000 61.8929 32.1824 177.1496 112 D 4.3452 8.2507 121.8227 55.4955 40.9901 178.2181 113 Q 4.1485 8.8533 123.5862 58.4180 28.6725 179.6643 114 A 4.1232 7.9165 120.7401 55.4649 18.3553 179.1353 115 D 4.3080 7.9992 115.4436 57.4993 40.9337 179.0099 116 V 3.6759 7.9414 118.1392 66.2229 31.7893 177.0367 117 Y 4.3861 8.6941 119.9935 60.6756 38.5116 177.6707 118 E 3.9110 8.3082 118.6208 56.8576 29.9553 178.7899 *120 Q 4.4011 8.1335 120.2807 56.2022 31.1806 177.9532 121 Q 3.7977 7.5317 117.1217 58.9576 28.6630 178.0508 122 E 3.8672 8.4460 120.6699 59.3200 29.6004 178.3882 123 N 4.2545 8.1146 116.3401 56.7332 39.0664 176.6118 124 A 4.0594 8.0353 122.0582 54.7382 18.3061 179.6824 125 R 3.7685 8.0152 117.6207 59.6107 30.2247 178.3629 126 L 4.0219 8.2821 120.6629 58.0496 42.1124 178.9180 127 G 3.6578 8.1072 105.5506 47.9587 0.0000 175.2681 128 R 3.8825 7.9041 120.3832 58.8638 30.2729 177.8534 129 A 4.1282 8.2676 120.6452 55.6196 18.5383 179.3978 130 I 3.5630 8.1644 118.1087 64.8851 36.9498 178.4655 131 A 4.1454 7.6926 120.2270 54.5376 18.3138 179.1732 132 R 4.1710 7.9541 113.2527 56.7753 30.1956 176.9894 133 L 4.1261 6.6219 118.6032 54.3745 42.3030 175.6334 134 P 4.4901 0.0000 0.0000 62.1009 33.1347 177.4822 135 E 3.9778 8.8634 121.4151 58.6218 29.5862 178.2781 136 A 4.3813 7.8009 118.9997 54.5109 19.9529 178.5513 137 Q 4.1720 7.8120 115.7113 58.1073 29.1222 178.0750 138 R 3.8640 9.4689 119.9936 59.6896 30.0853 178.2949 139 A 4.1848 8.3273 122.1325 55.6458 17.9391 180.0713 140 L 3.9709 7.7215 120.3016 59.7643 41.2773 183.3074 141 I 4.1281 7.7692 120.4495 64.3615 37.0274 177.9520 142 E 3.7968 8.1415 119.1666 59.9214 29.1902 179.9220 143 R 4.0702 8.1710 116.2953 59.0163 30.0981 178.3127 144 A 3.9991 7.8965 121.2250 55.3171 18.4191 178.3561 145 F 4.4097 7.9371 110.6226 57.9058 38.9280 176.1289 146 F 5.0639 7.7008 118.2484 56.4427 42.3666 174.2991 *161 P 4.2013 0.0000 0.0000 60.8754 31.8653 176.9440 162 L 3.5241 8.9557 111.2188 54.7250 40.4837 177.0033 163 G 3.7791 8.0238 107.7127 47.6923 0.0000 176.3925 164 T 3.8455 7.7685 112.6269 64.4998 68.6157 176.0283 165 I 3.6795 7.7459 121.3657 63.2532 37.9945 177.3831 166 K 4.0336 7.8587 120.1483 58.8819 31.9863 179.1423 167 S 4.1470 8.0499 115.9329 61.5190 62.7242 176.5847 168 R 3.9337 7.9174 120.2516 59.3569 29.8660 179.0264 169 I 3.6678 7.5031 119.5935 64.2280 37.0944 178.2103 170 R 3.8353 7.7701 119.0828 59.4486 29.3771 177.9812 171 L 3.8803 8.3947 119.9020 58.4321 41.9997 178.9990 172 A 4.1438 8.8230 121.1832 54.8699 17.9823 179.6856 173 L 3.9533 8.0718 117.7104 57.9121 42.0266 178.8228 174 D 4.4901 8.0274 118.8151 57.4520 40.8904 178.8158 175 R 4.2577 7.5506 118.9371 58.7872 29.9666 178.5135 176 L 3.0170 7.3549 118.2060 58.1083 42.1037 178.9879 177 R 3.9299 7.7470 117.6205 59.4042 30.0141 178.8097 178 Q 4.0778 7.7785 115.9166 57.9251 28.6638 176.9709 179 H 4.3445 7.8357 122.4666 55.7642 28.9614 174.5967 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 5 S 8.19 4.34 0.00 3.78 3.63 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 6 D 8.63 3.66 0.00 2.71 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 R 8.52 4.25 0.00 1.71 1.92 0.00 3.14 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 1.59 1.60 0.00 8 T 7.96 3.05 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 0.73 0.00 0.00 9 D 7.17 4.32 0.00 2.54 2.43 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 10 W 7.22 4.92 0.00 3.44 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 11 V 8.13 3.91 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 0.96 0.00 0.00 1.14 0.00 0.00 12 A 8.26 4.22 1.48 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 13 L 8.03 4.53 0.00 2.14 1.89 1.19 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 *15 R 8.12 4.24 0.00 2.02 2.03 0.00 3.11 0.00 0.00 3.53 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 16 A 7.84 3.96 1.45 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 0.00 0.00 17 I 7.82 3.76 1.87 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.44 0.38 0.00 0.00 18 R 7.78 3.86 0.00 1.91 1.85 0.00 3.25 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.29 0.00 19 D 8.19 4.90 0.00 2.82 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.98 4.86 0.00 3.16 3.28 0.00 5.82 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 R 7.57 3.42 0.00 2.08 2.27 0.00 3.28 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.73 0.00 22 D 8.00 4.66 0.00 2.88 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 23 E 8.91 4.18 0.00 2.11 1.96 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 2.48 2.58 0.00 24 A 8.35 4.10 1.45 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 0.00 0.00 25 A 8.72 4.04 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 26 F 8.60 4.26 0.00 3.62 3.47 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 0.00 0.00 0.00 27 A 8.90 4.00 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 28 E 8.52 4.03 0.00 2.42 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 2.66 2.61 0.00 29 L 8.25 3.94 0.00 1.87 1.74 1.08 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 30 F 8.29 3.76 0.00 2.38 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 8.26 4.17 0.00 2.26 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.53 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 32 H 7.47 4.46 0.00 3.04 2.82 0.00 5.83 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 F 7.88 3.75 0.00 3.04 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 34 A 7.50 3.62 0.32 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 0.00 0.00 35 P 0.00 4.21 0.00 2.07 2.05 0.00 3.49 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 2.13 2.08 0.00 36 K 7.20 4.03 0.00 1.91 1.83 0.00 1.13 0.00 0.00 1.44 0.00 0.00 2.73 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.23 7.81 37 V 8.19 3.76 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.92 0.00 0.00 38 K 7.88 4.00 0.00 1.78 1.94 0.00 1.86 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.44 7.81 39 G 7.87 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 40 F 8.71 4.38 0.00 3.33 3.37 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 0.00 41 L 8.01 4.41 0.00 1.79 1.69 0.96 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 *43 K 8.13 3.92 0.00 1.64 0.74 0.00 1.48 0.00 0.00 1.02 0.00 0.00 2.70 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.05 1.21 7.81 44 S 7.31 4.15 0.00 3.73 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 G 7.46 4.11 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 0.00 0.00 0.00 46 S 7.42 4.75 0.00 3.92 3.76 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 47 V 8.37 3.68 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 1.06 0.00 0.00 0.92 0.00 0.00 48 A 8.40 3.88 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 49 S 8.15 4.04 0.00 4.06 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 50 Q 8.46 3.98 0.00 2.13 2.23 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 2.35 2.37 0.00 51 A 7.76 3.97 1.39 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 52 E 8.40 3.81 0.00 2.04 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 2.43 2.38 0.00 53 E 7.88 3.91 0.00 2.08 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 54 C 8.08 4.10 0.00 3.18 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 55 A 8.57 3.91 1.27 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 0.00 0.00 0.00 56 Q 8.37 4.26 0.00 2.11 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.93 0.00 0.00 0.00 0.00 0.00 2.65 2.66 0.00 57 D 8.07 4.56 0.00 2.76 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 58 V 8.02 3.77 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.87 0.00 0.00 *60 A 7.98 4.42 1.47 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 0.00 0.00 0.00 0.00 0.00 61 T 8.18 3.98 4.32 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 1.16 0.00 0.00 62 V 8.12 3.67 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 1.31 0.00 0.00 0.81 0.00 0.00 63 W 8.23 4.46 0.00 3.26 3.23 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 0.00 64 Q 7.99 4.21 0.00 2.34 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.08 0.00 0.00 0.00 0.00 0.00 2.54 2.57 0.00 65 K 8.59 4.41 0.00 2.01 2.00 0.00 1.81 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.53 1.66 7.81 66 A 7.63 3.91 1.37 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 0.00 0.00 0.00 67 H 8.08 4.28 0.00 3.11 3.32 0.00 5.53 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 L 8.29 4.18 0.00 1.93 1.97 1.09 1.04 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 69 F 7.19 3.30 0.00 1.51 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 0.00 0.00 0.00 70 D 7.07 4.28 0.00 2.64 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 71 P 0.00 4.26 0.00 2.17 2.23 0.00 2.97 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.79 0.00 72 S 8.09 4.49 0.00 3.98 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 73 R 7.87 4.45 0.00 1.74 1.99 0.00 3.21 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 74 A 7.23 4.58 1.37 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 0.00 0.00 0.00 75 S 8.39 4.92 0.00 4.20 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 76 V 8.50 3.33 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 0.61 0.00 0.00 0.75 0.00 0.00 77 A 7.97 3.57 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 78 T 8.00 3.86 4.61 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 1.35 0.00 0.00 79 W 8.48 4.43 0.00 3.67 3.42 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 80 I 7.89 3.29 1.66 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.18 0.64 0.00 0.00 81 F 7.98 3.88 0.00 2.93 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 82 T 8.05 3.64 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 83 I 7.24 3.57 1.58 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.65 0.70 0.00 0.00 84 A 7.69 3.85 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 85 R 7.29 3.85 0.00 1.86 1.68 0.00 2.99 0.00 0.00 3.13 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 1.46 0.00 86 N 7.54 4.42 0.00 2.64 2.87 0.00 0.00 7.00 8.84 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 87 R 7.29 4.52 0.00 1.72 1.88 0.00 3.19 0.00 0.00 3.40 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.71 0.00 88 R 7.45 3.64 0.00 1.98 1.86 0.00 3.28 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 89 I 8.27 4.03 1.87 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 1.27 0.84 0.91 0.00 0.00 *94 K 8.23 4.16 0.00 1.79 1.68 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.04 7.81 95 D 7.99 4.93 0.00 2.65 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.82 4.50 0.00 1.71 1.73 0.00 3.19 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.56 0.00 97 Q 8.06 4.49 0.00 1.97 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.20 0.00 0.00 0.00 0.00 0.00 2.20 2.38 0.00 98 P 0.00 3.90 0.00 2.12 2.08 0.00 3.66 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 2.00 2.12 0.00 99 E 8.36 4.77 0.00 2.06 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 2.17 2.28 0.00 100 P 0.00 4.41 0.00 2.21 2.12 0.00 3.83 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.98 0.00 101 E 8.64 3.74 0.00 1.92 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 2.26 2.25 0.00 102 D 8.59 4.49 0.00 2.82 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 0.00 103 L 8.21 4.12 0.00 1.51 1.40 0.81 0.76 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 0.00 104 F 7.10 4.95 0.00 3.05 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 0.00 105 W 9.02 4.68 0.00 3.24 3.47 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 0.00 0.00 0.00 106 G 9.16 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *109 S 7.72 4.30 0.00 4.11 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 0.00 110 E 7.94 4.16 0.00 1.93 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.86 0.00 111 P 0.00 3.37 0.00 1.78 1.13 0.00 2.98 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 1.48 1.49 0.00 112 D 8.25 4.35 0.00 2.71 2.60 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 0.00 0.00 0.00 0.00 113 Q 8.85 4.15 0.00 2.01 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.88 0.00 0.00 0.00 0.00 0.00 2.40 2.36 0.00 114 A 7.92 4.12 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 0.00 115 D 8.00 4.31 0.00 2.80 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 0.00 116 V 7.94 3.68 2.25 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 0.81 0.00 0.00 0.83 0.00 0.00 117 Y 8.69 4.39 0.00 3.03 3.19 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 0.00 118 E 8.31 3.91 0.00 1.96 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 2.59 2.50 0.00 *120 Q 8.13 4.40 0.00 2.08 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.38 6.93 0.00 0.00 0.00 0.00 0.00 2.62 2.41 0.00 121 Q 7.53 3.80 0.00 1.95 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.77 0.00 0.00 0.00 0.00 0.00 1.87 1.50 0.00 122 E 8.45 3.87 0.00 1.91 1.93 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 2.27 2.45 0.00 123 N 8.11 4.25 0.00 2.88 2.98 0.00 0.00 7.10 7.87 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 0.00 124 A 8.04 4.06 1.37 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 0.00 0.00 0.00 125 R 8.02 3.77 0.00 2.09 2.03 0.00 3.17 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 126 L 8.28 4.02 0.00 1.75 1.79 0.89 0.93 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 0.00 127 G 8.11 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 0.00 0.00 0.00 128 R 7.90 3.88 0.00 2.03 1.99 0.00 3.34 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 129 A 8.27 4.13 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.16 3.56 2.05 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 1.64 1.02 0.87 0.00 0.00 131 A 7.69 4.15 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 132 R 7.95 4.17 0.00 1.97 2.19 0.00 3.09 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.66 0.00 133 L 6.62 4.13 0.00 1.94 1.68 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 4.49 0.00 2.37 1.96 0.00 3.65 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.14 0.00 135 E 8.86 3.98 0.00 1.97 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 2.31 2.40 0.00 136 A 7.80 4.38 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 0.00 137 Q 7.81 4.17 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 138 R 9.47 3.86 0.00 2.08 1.96 0.00 3.13 0.00 0.00 3.20 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 139 A 8.33 4.18 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 0.00 140 L 7.72 3.97 0.00 1.76 1.60 0.92 0.81 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 0.00 141 I 7.77 4.13 2.03 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 1.69 0.56 0.99 0.00 0.00 142 E 8.14 3.80 0.00 2.34 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 2.54 2.49 0.00 143 R 8.17 4.07 0.00 2.09 2.04 0.00 3.37 0.00 0.00 3.30 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.84 0.00 144 A 7.90 4.00 1.17 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 0.00 0.00 145 F 7.94 4.41 0.00 2.52 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 7.70 5.06 0.00 3.04 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 *161 P 0.00 4.20 0.00 2.24 2.08 0.00 3.80 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 1.97 2.00 0.00 162 L 8.96 3.52 0.00 1.74 1.84 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 163 G 8.02 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 0.00 164 T 7.77 3.85 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 1.21 0.00 0.00 165 I 7.75 3.68 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.31 0.91 0.00 0.00 166 K 7.86 4.03 0.00 1.99 1.97 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.49 7.81 167 S 8.05 4.15 0.00 4.11 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 0.00 168 R 7.92 3.93 0.00 1.95 1.97 0.00 3.28 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.64 0.00 169 I 7.50 3.67 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 1.55 0.76 0.93 0.00 0.00 170 R 7.77 3.84 0.00 2.07 2.16 0.00 3.16 0.00 0.00 3.09 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 171 L 8.39 3.88 0.00 1.88 1.85 0.93 1.18 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 0.00 172 A 8.82 4.14 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 0.00 173 L 8.07 3.95 0.00 1.93 1.72 0.92 0.95 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 0.00 174 D 8.03 4.49 0.00 2.84 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 R 7.55 4.26 0.00 2.16 2.19 0.00 3.40 0.00 0.00 3.35 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.76 0.00 176 L 7.35 3.02 0.00 1.39 1.63 0.75 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 177 R 7.75 3.93 0.00 2.05 1.90 0.00 3.29 0.00 0.00 3.05 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.77 0.00 178 Q 7.78 4.08 0.00 2.30 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.77 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 179 H 7.84 4.34 0.00 2.98 3.03 0.00 5.88 0.00 0.00 0.00 0.00 6.91 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.