NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 P 4.3628 0.0000 0.0000 61.9927 32.2845 176.0778 6 K 4.0590 8.6197 123.0455 55.1651 32.8564 174.5845 7 I 4.8453 9.1980 116.7864 59.3740 41.4916 174.0680 8 S 5.4919 9.7376 119.8420 56.9435 65.8426 173.3025 9 V 4.9943 9.3924 123.7310 60.9637 34.8306 173.9378 10 A 4.6759 8.3019 128.3273 49.9572 22.0153 174.5694 11 F 4.7587 8.7782 122.0931 55.9828 41.0903 175.2317 12 I 5.6851 9.0609 123.7343 58.0397 40.7210 172.9232 13 A 4.6871 8.6788 129.9956 52.4091 22.3934 176.6131 14 L 4.2387 8.4610 114.5377 57.6034 42.6884 178.6939 15 G 3.9209 8.2926 105.3803 44.9350 0.0000 172.4987 16 N 4.7623 8.1350 116.4051 53.7937 37.8193 174.1754 17 F 4.7665 8.2944 117.5675 59.0057 41.4669 174.4215 18 C 4.7163 7.4175 115.8113 61.5681 30.4476 176.0637 19 R 3.9578 7.8756 118.1108 59.4265 30.2806 179.2439 20 S 4.0903 7.9865 113.6151 61.1247 63.0644 174.6752 21 P 4.0388 0.0000 0.0000 65.0333 30.9971 178.3254 22 M 3.9514 7.6164 116.5657 58.5064 32.1088 178.1500 23 A 3.5922 8.0999 121.3619 54.8505 18.4085 179.2358 24 E 3.7760 7.9695 117.5877 59.2144 29.6970 178.9720 25 A 3.9245 7.8036 120.7807 55.2785 18.4250 179.7557 26 I 3.5330 7.8880 118.7702 64.2760 37.0163 178.4523 27 F 3.9741 8.1643 121.6676 61.2199 39.1366 177.2601 28 K 3.7259 8.0536 118.1023 59.7000 31.7341 178.7843 29 H 4.0357 8.1236 118.4535 59.2975 29.6795 177.2347 30 E 3.8243 8.2503 120.5958 58.9143 29.2394 179.3510 31 V 3.2448 7.4985 118.6746 65.8368 31.5374 177.8880 32 E 3.8630 8.0812 118.2654 59.5405 29.1510 179.4577 33 K 3.9337 7.8863 116.9443 59.3384 32.1985 178.4694 34 A 4.1607 8.0617 118.4593 51.7144 18.8322 176.7121 35 N 4.2235 8.4048 113.9628 54.8116 36.6195 174.8108 36 L 4.8059 7.9335 114.4968 54.5981 42.5726 178.7671 37 E 4.0813 8.3469 121.8424 59.3825 29.4885 179.0818 38 N 4.4496 8.1425 114.9207 55.3258 37.7954 176.1113 39 R 4.0971 8.3200 117.3853 56.9577 30.5879 175.8343 40 F 5.2597 7.8006 116.8434 55.6167 40.9950 173.2366 41 N 4.6680 8.5379 122.5684 53.1888 38.6775 174.2765 42 K 4.8511 8.3517 116.4680 54.7169 36.0848 175.5306 43 I 5.1788 8.4070 123.2103 60.1110 40.4210 173.9263 44 D 4.9961 9.2765 126.9818 52.7170 45.8698 174.4809 45 S 5.0107 7.7578 112.2823 57.3891 66.1575 173.1750 46 F 5.1035 9.2406 120.0698 56.1561 44.1182 173.3303 47 G 4.6936 9.0299 106.0134 44.7590 0.0000 174.2484 48 T 4.2702 9.1757 112.8332 63.6661 70.0069 174.7004 49 S 4.8094 8.1645 116.5127 56.8532 65.1224 174.1161 50 N 4.8310 8.5292 116.3369 52.7337 37.6046 176.0134 51 Y 3.7176 7.9450 121.7306 60.6107 38.9475 176.6714 52 H 4.9916 7.9269 113.7973 54.0655 29.7968 173.2097 53 V 3.7346 7.2240 119.8094 64.8509 31.4343 176.7255 54 G 3.9901 9.1973 115.5657 45.3963 0.0000 173.0959 55 E 4.6342 8.1031 119.8611 54.7006 31.1350 176.1558 56 S 4.9512 8.3037 117.2172 57.2041 63.6241 172.4938 57 P 4.1491 0.0000 0.0000 61.7602 31.9956 175.9053 58 D 3.8172 7.1099 119.1001 54.8973 41.4496 177.4464 59 H 4.1219 8.9532 121.7989 59.0013 28.2247 177.9461 60 R 3.4503 7.8785 121.0501 58.9270 29.6292 179.0286 61 T 4.0170 7.1842 115.2883 66.4036 68.4555 176.8956 62 V 3.5203 7.6769 120.2066 65.9932 31.5610 178.2468 63 S 4.0288 8.1609 115.1574 61.7361 62.8375 176.7098 64 I 3.6126 7.6969 122.3316 64.4999 36.7295 178.3591 65 C 4.3598 8.0522 117.3352 62.9015 28.0240 176.1314 66 K 3.8689 8.2146 120.2727 59.7913 31.4566 179.3676 67 Q 3.9844 8.3116 117.0403 58.0859 28.5183 177.5037 68 H 4.7142 7.1307 114.1516 54.2753 29.2984 174.3141 69 G 3.8721 7.9198 108.2654 46.5936 0.0000 174.0542 70 V 4.1368 7.8439 119.8081 60.2190 32.6797 175.5708 71 K 4.1904 8.5197 127.2755 56.4029 32.6189 176.4014 72 I 4.4841 7.9870 122.2954 59.4923 40.8838 173.8875 73 N 4.7306 8.5785 125.9319 53.1178 41.2267 172.4249 74 H 4.8976 8.4319 124.0838 55.0695 33.7098 171.9004 75 K 4.9928 7.9933 121.5585 53.9849 35.3161 176.3587 76 G 4.0083 9.0479 112.1697 47.2817 0.0000 172.1411 77 K 5.0657 9.5086 124.1098 54.8499 36.2278 174.4592 78 Q 5.1724 8.7297 127.0662 54.4660 30.4936 174.9881 79 I 3.5924 8.4215 126.0396 61.4641 38.8549 175.1517 80 K 4.6846 8.0804 124.5552 53.7533 36.1429 177.5648 81 T 4.1069 8.5968 112.5959 65.0702 68.4025 176.6731 82 K 4.1051 8.0192 120.7101 59.7861 32.5826 178.5408 83 H 4.3346 8.2025 117.7705 58.5601 28.4964 177.1010 84 F 4.3077 8.3406 118.5943 59.1491 38.6059 176.2182 85 D 5.0001 8.2995 117.6364 54.4683 41.7163 177.9878 86 E 3.7915 8.0603 119.3115 57.6171 30.3635 175.8015 87 Y 4.7189 7.4032 115.9983 56.3087 40.2035 176.3624 88 D 4.4613 8.9542 123.3526 56.7132 42.4584 176.1216 89 Y 5.1809 8.1369 115.1912 56.1156 42.2741 174.7992 90 I 4.6463 8.7921 124.1336 59.7130 40.4511 174.4530 91 I 4.9051 8.5417 129.7801 59.6061 38.9886 176.3195 92 G 4.4790 9.2835 115.3719 44.7969 0.0000 173.9857 93 M 4.6203 8.9566 118.7874 56.6259 33.8311 176.1025 94 D 5.3147 9.1640 116.4741 50.4156 43.1262 176.1095 95 E 4.0236 8.8067 118.1750 59.6055 29.2939 179.7789 96 S 4.1917 8.2487 113.8042 61.2404 62.9845 176.2829 97 N 4.3547 8.4727 120.2899 56.3182 38.2713 177.3474 98 I 3.7321 7.5549 121.2730 64.2808 37.2101 177.8115 99 N 4.2772 8.3071 117.8840 56.9536 38.7266 176.5954 100 N 4.3635 8.0892 117.4014 56.4106 38.6611 177.4667 101 L 4.2096 8.2701 120.5818 57.8972 41.5121 179.8205 102 K 4.1754 8.3318 117.8101 59.1128 32.0193 179.1539 103 K 4.1359 7.6928 117.3689 58.4883 32.1138 178.6765 104 I 4.0835 7.1497 118.9665 61.8912 37.6099 176.1884 105 Q 2.5200 7.4765 121.1640 55.1791 29.2649 174.5097 106 P 4.2587 0.0000 0.0000 61.9303 32.0775 175.8502 107 E 4.0458 8.5081 122.5939 57.9644 29.7947 177.7251 108 G 3.9531 8.8509 110.5711 45.4212 0.0000 173.8842 109 S 4.6723 7.8663 113.8592 56.8611 63.8361 174.8030 110 K 4.0116 8.8279 121.4435 59.6484 32.6894 177.6038 111 A 4.4178 8.3580 121.1487 51.7451 19.0847 177.3040 112 K 4.2974 8.7296 124.4161 54.9085 33.3097 175.5150 113 V 4.7283 8.4091 128.8384 62.7248 32.3616 174.7155 114 C 4.8103 8.9880 121.4028 57.1698 33.6900 172.7469 115 L 4.7865 8.5725 121.3458 54.1885 42.8949 177.2730 116 F 5.0807 9.3350 127.7708 61.6206 39.4206 177.3072 117 G 3.0289 7.8933 104.3476 45.3508 0.0000 174.6273 118 D 4.3440 7.9884 120.9007 56.0094 40.7216 176.8095 119 W 4.5993 7.6492 118.2588 56.2513 29.2247 175.9907 120 N 5.0308 7.7067 117.8462 53.8968 38.8478 175.0476 121 T 4.3516 8.8632 112.4633 61.4748 69.8447 174.5193 122 N 4.2792 8.1813 118.2778 54.6207 36.2993 174.2178 123 D 4.6712 8.4638 115.0051 53.1425 39.8778 177.0790 124 G 4.0142 8.1835 109.0020 46.0148 0.0000 175.1579 125 T 3.9365 8.3234 116.4540 66.2541 68.4805 174.7018 126 V 4.5356 6.7935 110.5476 59.6657 35.6848 174.6217 127 Q 4.4740 8.9310 121.2875 55.7338 29.6805 177.0371 128 T 4.1778 8.6138 117.2075 66.7306 68.8332 174.8568 129 I 4.3176 7.7185 121.5014 60.9292 38.1140 176.3463 130 I 4.5225 8.3695 128.8557 59.9539 36.8437 175.2982 131 E 4.2309 8.6533 126.6614 55.6373 30.4102 176.6002 132 D 4.3557 8.7628 123.6915 54.0589 41.6030 174.2865 133 P 4.3524 0.0000 0.0000 63.0431 32.2078 177.5077 134 W 4.4917 8.2462 129.8670 61.1631 30.3496 176.4233 135 Y 4.1788 7.9699 111.6020 58.5634 38.3324 176.5206 136 G 4.1281 7.9270 112.9268 44.9542 0.0000 171.4551 137 D 5.0705 8.6367 120.9595 50.7361 42.4710 176.6739 138 I 3.7693 8.2457 117.3603 64.1295 37.6369 177.3477 139 Q 4.1047 8.3784 118.6299 58.6596 28.4980 177.9732 140 D 4.4978 8.4878 120.7490 57.0586 40.8254 178.7238 141 F 4.0040 8.3464 118.0731 60.3497 39.0415 177.0277 142 E 4.0159 8.6288 119.2022 59.6814 29.4433 178.3680 143 Y 4.1519 8.2689 119.4460 60.5865 38.7407 177.5388 144 N 4.4719 8.2130 119.0251 55.5305 38.5968 176.8747 145 F 3.7641 8.3646 122.1094 61.1833 39.4434 176.9943 146 K 3.8263 7.9823 118.9645 59.5775 31.4755 178.7195 147 Q 3.1367 7.5243 118.0186 58.7817 28.5085 178.7580 148 I 3.5271 7.6123 121.0725 64.5250 37.0691 178.6397 149 T 3.5727 7.4927 116.4948 66.5825 68.2496 175.9723 150 Y 3.7948 7.4767 121.2477 60.8659 38.7546 178.3328 151 F 4.5169 7.7041 118.7645 60.2632 38.7746 177.8903 152 S 4.5299 8.0859 115.3662 61.7974 62.7403 176.8501 153 K 3.9352 7.8663 120.9227 59.5340 31.6909 179.4016 154 Q 3.9840 7.9564 118.2705 58.8630 28.6807 178.6595 155 F 3.3825 8.5308 121.9127 61.2808 39.1119 177.2072 156 L 4.4182 8.3356 118.4971 57.7078 41.1233 179.5013 157 K 4.0093 7.9655 119.0260 58.9064 32.2269 178.3748 158 K 4.3083 8.1438 117.7554 58.4217 32.7331 178.3833 159 E 4.1442 8.2750 117.8325 57.9576 29.5302 176.6681 160 L 4.1811 7.2286 122.9915 54.8642 41.8093 176.4381 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 P 0.00 4.36 0.00 2.16 2.14 0.00 3.48 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.10 0.00 6 K 8.62 4.06 0.00 1.75 1.80 0.00 1.71 0.00 0.00 1.89 0.00 0.00 3.10 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.63 1.50 7.81 7 I 9.20 4.85 2.15 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 1.38 0.97 0.00 0.00 8 S 9.74 5.49 0.00 3.72 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 9 V 9.39 4.99 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 -0.40 0.00 0.00 0.88 0.00 0.00 10 A 8.30 4.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 F 8.78 4.76 0.00 2.85 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 12 I 9.06 5.69 1.85 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.80 0.96 0.00 0.00 13 A 8.68 4.69 1.18 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 0.00 0.00 14 L 8.46 4.24 0.00 1.82 1.66 0.94 1.16 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 15 G 8.29 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 N 8.13 4.76 0.00 2.93 2.96 0.00 0.00 7.05 7.02 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 17 F 8.29 4.77 0.00 2.94 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 18 C 7.42 4.72 0.00 3.12 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 19 R 7.88 3.96 0.00 1.88 1.98 0.00 3.25 0.00 0.00 3.58 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.65 0.00 20 S 7.99 4.09 0.00 4.18 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 21 P 0.00 4.04 0.00 2.10 1.97 0.00 3.62 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 2.15 2.17 0.00 22 M 7.62 3.95 0.00 2.33 2.18 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.48 0.00 23 A 8.10 3.59 0.60 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 0.00 0.00 24 E 7.97 3.78 0.00 2.03 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 2.28 2.33 0.00 25 A 7.80 3.92 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 26 I 7.89 3.53 1.66 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.44 0.57 0.00 0.00 27 F 8.16 3.97 0.00 2.88 2.97 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 28 K 8.05 3.73 0.00 1.98 1.79 0.00 1.71 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.43 1.64 7.81 29 H 8.12 4.04 0.00 3.30 3.44 0.00 5.78 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 30 E 8.25 3.82 0.00 1.83 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 2.42 2.33 0.00 31 V 7.50 3.24 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 0.82 0.00 0.00 -0.37 0.00 0.00 32 E 8.08 3.86 0.00 2.07 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 2.43 2.39 0.00 33 K 7.89 3.93 0.00 1.70 1.80 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.39 1.40 7.81 34 A 8.06 4.16 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 35 N 8.40 4.22 0.00 2.83 2.92 0.00 0.00 6.76 7.89 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 36 L 7.93 4.81 0.00 1.77 1.78 0.99 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 37 E 8.35 4.08 0.00 2.06 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 0.00 2.38 2.30 0.00 38 N 8.14 4.45 0.00 2.83 2.98 0.00 0.00 6.07 7.66 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 39 R 8.32 4.10 0.00 1.68 1.68 0.00 3.20 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 40 F 7.80 5.26 0.00 3.00 3.05 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 0.00 0.00 0.00 41 N 8.54 4.67 0.00 2.75 2.72 0.00 0.00 7.02 6.68 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 42 K 8.35 4.85 0.00 1.96 1.90 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.13 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.36 1.31 7.81 43 I 8.41 5.18 1.93 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.73 1.11 0.00 0.00 44 D 9.28 5.00 0.00 2.50 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 0.00 0.00 0.00 45 S 7.76 5.01 0.00 3.84 3.67 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 46 F 9.24 5.10 0.00 2.92 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 47 G 9.03 4.69 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 48 T 9.18 4.27 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 1.28 0.00 0.00 49 S 8.16 4.81 0.00 3.94 4.01 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 50 N 8.53 4.83 0.00 2.89 3.28 0.00 0.00 5.56 7.57 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 51 Y 7.95 3.72 0.00 2.85 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 52 H 7.93 4.99 0.00 3.38 3.21 0.00 5.97 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 V 7.22 3.73 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 0.74 0.00 0.00 0.97 0.00 0.00 54 G 9.20 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 55 E 8.10 4.63 0.00 2.32 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 0.00 2.29 2.31 0.00 56 S 8.30 4.95 0.00 3.90 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 57 P 0.00 4.15 0.00 1.90 1.95 0.00 3.67 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.08 0.00 58 D 7.11 3.82 0.00 2.20 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 0.00 0.00 0.00 0.00 59 H 8.95 4.12 0.00 3.33 3.51 0.00 5.51 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 60 R 7.88 3.45 0.00 0.67 0.66 0.00 2.74 0.00 0.00 2.91 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.77 0.00 61 T 7.18 4.02 4.34 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 1.22 0.00 0.00 62 V 7.68 3.52 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.94 0.00 0.00 63 S 8.16 4.03 0.00 3.81 3.79 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 64 I 7.70 3.61 1.93 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.24 0.85 0.00 0.00 65 C 8.05 4.36 0.00 3.24 3.22 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 66 K 8.21 3.87 0.00 1.95 1.82 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.61 7.81 67 Q 8.31 3.98 0.00 1.93 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.10 0.00 0.00 0.00 0.00 0.00 2.29 2.46 0.00 68 H 7.13 4.71 0.00 2.88 3.22 0.00 6.00 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 G 7.92 3.87 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 0.00 0.00 0.00 70 V 7.84 4.14 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 0.81 0.00 0.00 0.90 0.00 0.00 71 K 8.52 4.19 0.00 1.80 1.73 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.45 1.43 7.81 72 I 7.99 4.48 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.73 0.90 0.00 0.00 73 N 8.58 4.73 0.00 2.67 2.65 0.00 0.00 6.88 7.89 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 74 H 8.43 4.90 0.00 3.22 3.04 0.00 5.86 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 K 7.99 4.99 0.00 1.55 1.63 0.00 2.06 0.00 0.00 1.71 0.00 0.00 2.72 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.33 7.81 76 G 9.05 4.01 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 0.00 0.00 0.00 77 K 9.51 5.07 0.00 1.80 1.72 0.00 1.71 0.00 0.00 1.93 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.59 1.50 7.81 78 Q 8.73 5.17 0.00 2.17 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.73 0.00 0.00 0.00 0.00 0.00 2.32 2.67 0.00 79 I 8.42 3.59 1.85 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.61 0.96 0.00 0.00 80 K 8.08 4.68 0.00 1.19 1.45 0.00 1.64 0.00 0.00 1.79 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.42 7.81 81 T 8.60 4.11 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 1.21 0.00 0.00 82 K 8.02 4.11 0.00 1.99 2.10 0.00 1.48 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.35 1.42 7.81 83 H 8.20 4.33 0.00 2.98 3.10 0.00 5.63 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 F 8.34 4.31 0.00 3.31 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 85 D 8.30 5.00 0.00 2.80 2.69 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 86 E 8.06 3.79 0.00 2.10 1.71 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 1.72 2.15 0.00 87 Y 7.40 4.72 0.00 3.09 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 88 D 8.95 4.46 0.00 2.89 2.52 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 89 Y 8.14 5.18 0.00 2.85 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 90 I 8.79 4.65 1.81 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.94 0.73 0.00 0.00 91 I 8.54 4.91 1.23 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.42 0.86 0.00 0.00 92 G 9.28 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 93 M 8.96 4.62 0.00 2.17 2.33 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.55 0.00 94 D 9.16 5.31 0.00 2.85 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 95 E 8.81 4.02 0.00 2.03 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 0.00 2.44 2.35 0.00 96 S 8.25 4.19 0.00 4.08 4.16 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 97 N 8.47 4.35 0.00 3.08 2.96 0.00 0.00 6.91 7.40 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 98 I 7.55 3.73 2.04 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 1.65 1.02 0.95 0.00 0.00 99 N 8.31 4.28 0.00 2.78 3.02 0.00 0.00 7.27 6.26 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 0.00 100 N 8.09 4.36 0.00 3.00 2.90 0.00 0.00 7.11 6.64 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 0.00 101 L 8.27 4.21 0.00 1.78 1.94 1.01 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 102 K 8.33 4.18 0.00 1.92 1.87 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.67 7.81 103 K 7.69 4.14 0.00 1.97 1.85 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.47 7.81 104 I 7.15 4.08 2.03 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.72 0.93 0.00 0.00 105 Q 7.48 2.52 0.00 1.50 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.82 0.00 0.00 0.00 0.00 0.00 2.18 1.93 0.00 106 P 0.00 4.26 0.00 2.14 1.87 0.00 3.19 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.93 0.00 107 E 8.51 4.05 0.00 1.91 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 2.26 2.23 0.00 108 G 8.85 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 S 7.87 4.67 0.00 4.25 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 0.00 110 K 8.83 4.01 0.00 1.88 2.00 0.00 1.57 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.56 1.56 7.81 111 A 8.36 4.42 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 0.00 112 K 8.73 4.30 0.00 1.73 1.68 0.00 1.68 0.00 0.00 1.55 0.00 0.00 2.67 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.41 7.81 113 V 8.41 4.73 2.18 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 0.94 0.00 0.00 1.19 0.00 0.00 114 C 8.99 4.81 0.00 3.17 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 0.00 115 L 8.57 4.79 0.00 1.78 1.75 1.01 0.79 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 0.00 116 F 9.33 5.08 0.00 3.37 3.21 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 0.00 117 G 7.89 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 0.00 0.00 0.00 118 D 7.99 4.34 0.00 2.35 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 0.00 0.00 0.00 119 W 7.65 4.60 0.00 3.61 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 0.00 120 N 7.71 5.03 0.00 2.70 2.75 0.00 0.00 7.03 7.07 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 0.00 121 T 8.86 4.35 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 1.44 0.00 0.00 122 N 8.18 4.28 0.00 2.98 3.00 0.00 0.00 6.92 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 D 8.46 4.67 0.00 2.83 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 0.00 124 G 8.18 4.01 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 0.00 0.00 0.00 125 T 8.32 3.94 3.64 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 1.02 0.00 0.00 126 V 6.79 4.54 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 0.25 0.00 0.00 0.23 0.00 0.00 127 Q 8.93 4.47 0.00 2.27 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.97 0.00 0.00 0.00 0.00 0.00 2.45 2.41 0.00 128 T 8.61 4.18 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 1.19 0.00 0.00 129 I 7.72 4.32 1.96 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.81 0.99 0.00 0.00 130 I 8.37 4.52 2.14 0.00 0.00 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 1.39 0.83 1.03 0.00 0.00 131 E 8.65 4.23 0.00 1.92 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 2.38 2.39 0.00 132 D 8.76 4.36 0.00 2.70 2.69 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 0.00 133 P 0.00 4.35 0.00 0.58 1.69 0.00 3.70 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 1.27 1.20 0.00 134 W 8.25 4.49 0.00 3.48 3.20 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 0.00 135 Y 7.97 4.18 0.00 3.09 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 0.00 136 G 7.93 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 0.00 0.00 0.00 137 D 8.64 5.07 0.00 2.82 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 I 8.25 3.77 1.80 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.49 0.91 0.00 0.00 139 Q 8.38 4.10 0.00 2.44 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.60 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 140 D 8.49 4.50 0.00 2.79 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 0.00 141 F 8.35 4.00 0.00 3.32 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 0.00 142 E 8.63 4.02 0.00 2.22 2.23 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 2.35 2.46 0.00 143 Y 8.27 4.15 0.00 3.12 3.10 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 0.00 144 N 8.21 4.47 0.00 3.01 2.83 0.00 0.00 6.39 7.82 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 0.00 145 F 8.36 3.76 0.00 3.26 3.21 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 0.00 146 K 7.98 3.83 0.00 1.87 1.67 0.00 1.72 0.00 0.00 1.52 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.16 1.41 7.81 147 Q 7.52 3.14 0.00 1.89 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.57 0.00 0.00 0.00 0.00 0.00 1.69 1.63 0.00 148 I 7.61 3.53 1.66 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.68 0.77 0.00 0.00 149 T 7.49 3.57 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 1.11 0.00 0.00 150 Y 7.48 3.79 0.00 2.90 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.70 4.52 0.00 1.54 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 0.00 0.00 0.00 0.00 152 S 8.09 4.53 0.00 4.05 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 K 7.87 3.94 0.00 1.75 1.74 0.00 1.54 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.55 7.81 154 Q 7.96 3.98 0.00 2.39 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 2.15 2.76 0.00 155 F 8.53 3.38 0.00 2.69 3.20 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 0.00 156 L 8.34 4.42 0.00 1.93 1.78 0.72 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 157 K 7.97 4.01 0.00 1.81 2.12 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.49 7.81 158 K 8.14 4.31 0.00 1.95 1.97 0.00 2.03 0.00 0.00 1.83 0.00 0.00 3.42 0.00 0.00 3.49 0.00 0.00 0.00 0.00 1.52 1.91 7.81 159 E 8.27 4.14 0.00 1.16 1.58 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 1.47 1.47 0.00 160 L 7.23 4.18 0.00 1.66 1.57 1.06 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00