NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5011 8.2893 120.3271 55.3432 33.6382 175.2560 2 E 4.4925 8.1605 115.1851 55.7384 30.3270 174.1284 3 Q 4.5127 8.0839 117.5317 56.0746 31.5773 176.6133 4 E 4.7443 8.4250 119.3601 56.2709 30.1639 175.5293 5 T 4.6384 7.7747 110.9055 60.1150 70.6859 172.3089 6 L 4.8104 8.2721 126.2038 53.1522 44.5624 175.4354 7 E 4.7985 8.0722 118.2624 54.9255 33.9390 174.7601 8 Q 4.7187 8.7090 122.1235 54.6344 30.5777 175.2602 9 V 4.3392 8.9521 123.8557 61.2684 34.4709 174.0974 10 H 4.6137 8.9435 126.1753 55.5514 28.5938 175.7066 11 L 4.1601 8.7141 125.0305 57.2546 42.2780 177.9129 12 T 4.5935 7.5270 111.9990 59.5607 70.2881 174.2414 13 E 4.0629 8.8452 125.5943 59.2197 29.7995 178.0388 14 D 4.3535 8.0188 118.6959 55.7525 40.9978 177.3629 15 G 3.9187 8.2819 106.3896 45.3238 0.0000 174.3354 16 G 3.8365 7.7930 108.2928 47.5652 0.0000 174.2256 17 V 4.8851 7.2084 119.9197 59.8311 35.1274 174.5893 18 V 4.5657 8.1501 126.9270 61.4550 34.7111 173.3344 19 K 5.0202 9.1036 129.9736 55.3068 34.5883 174.9956 20 T 5.0191 8.5221 122.0656 61.4123 70.5529 173.0069 21 I 3.8459 8.7657 127.7146 62.6177 37.4819 176.0937 22 L 4.2047 8.7058 126.0954 55.8384 43.2115 177.5514 23 R 4.4661 8.5487 124.3511 54.0081 32.5818 173.9778 24 K 4.9144 8.3130 126.0948 55.4393 32.9646 175.7432 25 G 4.1742 9.5278 110.8427 45.3153 0.0000 174.8946 26 E 3.9673 7.9639 124.1243 54.9465 29.9034 176.7986 27 G 3.8180 8.3661 116.2243 49.5947 0.0000 171.8394 28 G 4.2862 8.7970 110.2953 42.3193 0.0000 173.1616 29 E 3.9274 8.7636 122.1399 58.9827 29.8250 179.0634 30 E 4.0335 8.3260 117.4455 58.4848 29.7470 177.1424 31 N 5.0280 8.4782 115.5007 52.3536 37.6551 173.6779 32 A 4.9606 7.8662 120.3855 50.4396 20.6858 176.2002 33 P 3.2109 0.0000 0.0000 62.2339 32.7370 175.6369 34 K 4.5542 7.3970 118.7964 53.9503 34.8437 176.9693 35 K 3.9322 8.8584 124.2050 57.2460 33.7060 176.4368 36 G 3.9990 8.3496 106.9759 45.6333 0.0000 173.1434 37 N 4.5833 7.0686 111.3398 51.9487 43.8952 175.5266 38 E 3.6752 8.7288 123.5892 56.8015 30.8045 175.5737 39 V 4.8000 8.7152 121.3417 59.7920 34.9885 175.0563 40 T 5.1546 8.8124 121.0390 62.1123 71.0030 173.9727 41 V 4.9637 9.0077 118.5031 60.3230 37.2916 173.2697 42 H 4.9680 9.1783 120.6087 54.8878 33.0240 171.6049 43 Y 5.1682 7.1435 120.6930 56.3773 41.2697 173.5316 44 V 4.4856 8.6489 113.3182 59.6196 36.3745 174.7320 45 G 2.4847 7.6314 110.5291 43.9694 0.0000 172.7884 46 K 4.9861 7.7590 122.1387 55.1224 36.5693 175.2669 47 L 4.9285 9.0001 123.3903 54.1828 42.8374 177.5467 48 E 4.2543 8.8451 119.4236 57.9703 30.7739 177.6574 49 S 4.2861 8.1945 113.5168 60.6836 62.7483 174.7458 50 S 4.3820 8.1319 114.3031 58.3182 63.4899 175.1763 51 G 4.1718 8.1568 106.2965 45.8524 0.0000 173.0376 52 K 4.5920 7.7077 118.3506 54.8088 34.7283 175.3091 53 V 4.7938 8.2301 122.0835 61.3342 32.8746 174.8982 54 F 4.8657 8.7665 121.7388 55.6451 41.6781 173.5930 55 D 4.0425 8.6803 117.8227 55.3860 39.0166 173.7530 56 S 4.3383 7.6435 112.9263 56.9041 63.5847 174.3005 57 S 3.8908 8.1049 125.3979 61.6920 62.5868 177.0115 58 R 4.0176 7.9197 118.2984 58.9977 29.2474 178.1603 59 E 4.0047 8.3879 119.9153 58.1011 29.6059 177.8033 60 R 4.4319 7.2441 112.6461 54.4429 31.9422 174.7487 61 N 4.1177 8.1317 115.9934 53.4189 35.8239 175.5500 62 V 4.4621 7.9426 116.8405 59.8705 34.4708 174.4177 63 P 4.5012 0.0000 0.0000 62.6099 32.4398 175.2375 64 F 4.7308 8.6327 124.9917 56.3509 41.3886 174.3062 65 K 5.4857 8.2024 124.9315 55.4043 35.0786 174.9279 66 F 4.9775 9.5506 116.7738 56.6200 41.9718 172.1139 67 H 5.5360 8.6438 116.2178 53.3381 30.1649 175.3350 68 L 4.1175 8.1667 123.0986 54.9376 43.2743 177.5723 69 G 4.0942 8.8216 106.3433 46.3197 0.0000 173.2878 70 Q 4.7737 8.0357 116.9257 53.9360 31.6781 175.1406 71 G 4.2038 8.4032 106.0071 45.9572 0.0000 174.8058 72 E 4.4327 8.3493 120.3580 56.4677 30.7345 177.0010 73 V 4.6130 7.5266 110.7041 59.0111 34.5314 175.8292 74 I 3.9209 7.7878 116.0797 60.2454 39.6909 176.8409 75 K 3.9193 8.4910 120.5569 59.3779 31.7944 178.7918 76 G 2.9592 7.3659 105.5680 47.4234 0.0000 175.6140 77 W 4.4951 6.8433 121.4862 59.1772 29.1787 177.9882 78 D 4.4198 8.2078 118.0268 57.5123 40.4560 178.5102 79 I 3.6616 7.8253 118.9630 64.4623 37.4083 177.5224 80 C 4.1810 8.0381 119.4183 62.8155 31.1899 175.8662 81 V 3.6794 8.2721 118.2910 65.7740 31.2392 176.9623 82 A 4.4143 7.9278 117.5038 52.5676 18.4710 177.3216 83 S 4.6317 7.9986 111.0855 57.5818 63.3324 172.9047 84 M 4.8589 8.0173 114.7966 53.1831 34.0784 173.9322 85 T 4.7848 7.8841 108.3095 58.9166 72.1177 173.0696 86 K 4.1968 8.7531 122.9588 57.8475 32.5984 176.4701 87 N 4.3925 9.1011 121.2113 54.0690 37.0407 172.8731 88 E 4.7651 7.9901 120.2276 54.8031 31.2153 174.6670 89 K 4.9724 8.9050 129.9871 55.1397 34.1387 174.7757 90 C 5.1866 9.0961 124.1714 58.2796 33.6845 172.7098 91 S 5.2161 8.5212 114.8532 56.5967 64.4515 172.8454 92 V 4.8301 9.1171 127.3669 60.0072 33.9272 174.5731 93 R 4.9169 9.0263 125.4150 54.9552 31.7885 174.5519 94 L 4.7280 8.6693 127.4426 53.2806 43.1287 177.0058 95 D 4.9465 8.6557 124.7758 53.7208 43.2551 175.3293 96 S 4.7419 8.3186 111.5055 57.1072 62.1282 173.3839 97 K 4.5132 7.1933 123.4652 58.8970 38.1613 177.0854 98 Y 4.0602 8.0110 116.5007 60.0767 39.9461 177.6812 99 G 3.4309 7.6447 109.5800 46.4417 0.0000 174.1117 100 Y 4.8896 9.0400 119.2812 57.3983 39.9874 177.3136 101 G 3.9035 7.0821 115.3853 46.9802 0.0000 177.3066 102 E 4.3972 9.1684 123.0032 55.6154 30.7910 175.3975 103 E 4.4810 7.5254 116.8353 54.0060 29.5425 177.6391 104 G 4.1689 8.1995 117.4753 45.1023 0.0000 169.9517 105 C 4.3245 8.6179 121.9955 58.0030 33.2198 174.7769 106 G 3.9341 8.3313 118.2836 46.9568 0.0000 173.0145 107 E 4.5296 8.6868 124.2859 56.3832 29.7329 176.8858 108 S 4.3848 7.5479 116.0801 59.3033 64.0756 174.2614 109 I 4.4889 7.1847 121.0510 58.2121 38.0909 172.2052 110 P 4.5391 0.0000 0.0000 61.7223 32.1159 177.3485 111 G 3.7294 8.5383 109.4294 47.0073 0.0000 172.1728 112 N 4.1035 8.6309 115.4521 53.0362 36.7669 174.8449 113 S 4.6618 7.4791 112.6700 57.1696 67.3748 176.2024 114 V 4.0604 8.5822 125.2096 62.9727 32.2677 175.0251 115 L 5.1352 8.9997 125.8237 53.0863 46.1205 175.2991 116 I 5.0855 8.7171 122.2197 59.7531 40.3699 174.7904 117 F 4.9524 9.3249 124.2642 55.7705 43.4916 173.0835 118 E 5.0040 8.9867 124.8880 54.8999 31.2125 174.5522 119 I 5.0254 8.6917 127.8167 59.6461 40.7710 174.4910 120 E 5.5699 9.1081 125.9829 54.0755 33.3537 173.7384 121 L 4.5011 8.7774 129.5658 55.5282 42.7912 176.4478 122 I 4.1691 8.6207 127.6712 61.6105 37.8830 176.1487 123 S 4.7730 7.6886 114.8969 57.7724 66.1674 175.1880 124 F 5.4246 8.0159 116.4084 55.5844 41.0397 173.8922 125 R 4.7308 8.7440 115.4891 55.4959 32.6311 174.8766 126 E 4.2886 8.6164 116.2742 56.7087 29.7750 175.5916 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 1 M 8.29 4.50 0.00 2.01 2.16 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.60 0.00 2 E 8.16 4.49 0.00 2.14 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.34 0.00 3 Q 8.08 4.51 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.54 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 4 E 8.43 4.74 0.00 1.87 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 2.17 2.25 0.00 5 T 7.77 4.64 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 1.28 0.00 0.00 6 L 8.27 4.81 0.00 1.66 1.70 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.07 4.80 0.00 2.04 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 2.22 2.32 0.00 8 Q 8.71 4.72 0.00 1.96 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.81 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 9 V 8.95 4.34 2.17 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 1.16 0.00 0.00 0.94 0.00 0.00 10 H 8.94 4.61 0.00 3.03 3.21 0.00 5.77 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 11 L 8.71 4.16 0.00 1.49 1.59 0.89 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 12 T 7.53 4.59 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 0.91 0.00 0.00 13 E 8.85 4.06 0.00 2.12 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 2.29 0.00 14 D 8.02 4.35 0.00 2.80 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 15 G 8.28 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 G 7.79 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 17 V 7.21 4.89 1.76 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 1.18 0.00 0.00 0.30 0.00 0.00 18 V 8.15 4.57 1.97 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 0.64 0.00 0.00 0.67 0.00 0.00 19 K 9.10 5.02 0.00 1.82 1.63 0.00 1.65 0.00 0.00 1.73 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.57 7.81 20 T 8.52 5.02 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 1.28 0.00 0.00 21 I 8.77 3.85 1.88 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 1.36 1.13 0.92 0.00 0.00 22 L 8.71 4.20 0.00 1.71 1.71 0.99 0.92 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 23 R 8.55 4.47 0.00 1.76 1.77 0.00 3.27 0.00 0.00 3.17 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.73 0.00 24 K 8.31 4.91 0.00 1.69 1.74 0.00 1.86 0.00 0.00 2.61 0.00 0.00 2.79 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.25 7.81 25 G 9.53 4.17 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 0.00 26 E 7.96 3.97 0.00 2.16 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 2.49 2.42 0.00 27 G 8.37 3.82 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 0.00 0.00 0.00 28 G 8.80 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 E 8.76 3.93 0.00 2.02 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 2.40 2.34 0.00 30 E 8.33 4.03 0.00 2.03 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 2.34 2.33 0.00 31 N 8.48 5.03 0.00 3.08 3.04 0.00 0.00 6.68 7.31 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 32 A 7.87 4.96 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 33 P 0.00 3.21 0.00 1.82 1.84 0.00 3.62 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 1.86 2.14 0.00 34 K 7.40 4.55 0.00 1.39 1.63 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.19 1.33 7.81 35 K 8.86 3.93 0.00 1.83 1.78 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.37 7.81 36 G 8.35 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 0.00 0.00 0.00 37 N 7.07 4.58 0.00 2.78 2.83 0.00 0.00 6.65 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 38 E 8.73 3.68 0.00 2.03 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.10 0.00 39 V 8.72 4.80 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 0.56 0.00 0.00 0.46 0.00 0.00 40 T 8.81 5.15 4.43 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 1.26 0.00 0.00 41 V 9.01 4.96 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 1.03 0.00 0.00 1.35 0.00 0.00 42 H 9.18 4.97 0.00 3.14 3.08 0.00 5.62 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Y 7.14 5.17 0.00 3.02 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 V 8.65 4.49 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 0.69 0.00 0.00 0.80 0.00 0.00 45 G 7.63 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 0.00 0.00 0.00 0.00 0.00 0.00 46 K 7.76 4.99 0.00 1.80 1.63 0.00 1.17 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.19 1.44 7.81 47 L 9.00 4.93 0.00 1.74 1.69 1.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 48 E 8.85 4.25 0.00 2.08 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 2.27 2.51 0.00 49 S 8.19 4.29 0.00 3.89 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 50 S 8.13 4.38 0.00 3.93 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 51 G 8.16 4.17 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 0.00 52 K 7.71 4.59 0.00 1.75 1.77 0.00 1.67 0.00 0.00 1.76 0.00 0.00 2.82 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.62 1.38 7.81 53 V 8.23 4.79 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 0.73 0.00 0.00 0.88 0.00 0.00 54 F 8.77 4.87 0.00 3.09 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 D 8.68 4.04 0.00 3.03 2.61 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 56 S 7.64 4.34 0.00 3.75 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 57 S 8.10 3.89 0.00 3.48 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 58 R 7.92 4.02 0.00 2.03 2.24 0.00 2.99 0.00 0.00 3.26 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 59 E 8.39 4.00 0.00 1.91 2.20 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 2.32 2.32 0.00 60 R 7.24 4.43 0.00 2.01 1.99 0.00 3.27 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.78 0.00 61 N 8.13 4.12 0.00 2.94 2.92 0.00 0.00 6.73 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 V 7.94 4.46 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 0.72 0.00 0.00 0.95 0.00 0.00 63 P 0.00 4.50 0.00 2.13 2.12 0.00 3.74 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 1.98 1.97 0.00 64 F 8.63 4.73 0.00 2.85 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 65 K 8.20 5.49 0.00 1.75 1.75 0.00 1.60 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.18 1.27 7.81 66 F 9.55 4.98 0.00 3.19 3.26 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 67 H 8.64 5.54 0.00 3.05 3.24 0.00 5.75 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 68 L 8.17 4.12 0.00 1.39 1.51 0.84 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.82 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 70 Q 8.04 4.77 0.00 2.24 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.54 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 71 G 8.40 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 E 8.35 4.43 0.00 2.11 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 2.33 2.40 0.00 73 V 7.53 4.61 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 0.77 0.00 0.00 1.10 0.00 0.00 74 I 7.79 3.92 1.69 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 -0.32 0.85 0.00 0.00 75 K 8.49 3.92 0.00 1.94 1.94 0.00 1.62 0.00 0.00 1.87 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.64 1.59 7.81 76 G 7.37 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 0.00 0.00 0.00 77 W 6.84 4.50 0.00 3.19 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 78 D 8.21 4.42 0.00 2.85 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 79 I 7.83 3.66 1.84 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.68 0.84 0.00 0.00 80 C 8.04 4.18 0.00 3.25 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 81 V 8.27 3.68 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 1.14 0.00 0.00 82 A 7.93 4.41 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 83 S 8.00 4.63 0.00 3.84 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 84 M 8.02 4.86 0.00 2.31 2.05 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.68 0.00 85 T 7.88 4.78 4.44 0.00 0.00 0.00 0.00 0.00 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 86 K 8.75 4.20 0.00 2.13 1.78 0.00 1.84 0.00 0.00 1.62 0.00 0.00 3.08 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.46 1.48 7.81 87 N 9.10 4.39 0.00 2.98 2.90 0.00 0.00 6.41 7.51 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 88 E 7.99 4.77 0.00 2.16 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 89 K 8.91 4.97 0.00 1.89 1.67 0.00 1.88 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.42 7.81 90 C 9.10 5.19 0.00 2.89 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 91 S 8.52 5.22 0.00 4.10 3.71 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 92 V 9.12 4.83 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 1.03 0.00 0.00 0.91 0.00 0.00 93 R 9.03 4.92 0.00 1.86 1.82 0.00 3.07 0.00 0.00 3.18 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.78 0.00 94 L 8.67 4.73 0.00 1.49 1.33 -0.37 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 95 D 8.66 4.95 0.00 2.78 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 96 S 8.32 4.74 0.00 4.05 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 97 K 7.19 4.51 0.00 1.70 1.72 0.00 1.62 0.00 0.00 1.34 0.00 0.00 2.80 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.82 1.23 7.81 98 Y 8.01 4.06 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 99 G 7.64 3.43 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 0.00 100 Y 9.04 4.89 0.00 3.04 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 0.00 101 G 7.08 3.90 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 0.00 0.00 0.00 102 E 9.17 4.40 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 2.18 2.20 0.00 103 E 7.53 4.48 0.00 2.09 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 2.21 2.22 0.00 104 G 8.20 4.17 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 0.00 105 C 8.62 4.32 0.00 2.42 2.66 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 0.00 106 G 8.33 3.93 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 0.00 0.00 0.00 107 E 8.69 4.53 0.00 1.91 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.31 0.00 108 S 7.55 4.38 0.00 3.62 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 0.00 109 I 7.18 4.49 1.96 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.08 1.08 0.00 0.00 110 P 0.00 4.54 0.00 2.19 2.05 0.00 3.81 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 111 G 8.54 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 0.00 112 N 8.63 4.10 0.00 2.86 2.86 0.00 0.00 7.14 7.64 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 0.00 113 S 7.48 4.66 0.00 3.88 3.75 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 0.00 114 V 8.58 4.06 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 0.86 0.00 0.00 0.99 0.00 0.00 115 L 9.00 5.14 0.00 1.89 1.91 1.13 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 116 I 8.72 5.09 1.99 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.84 0.94 0.00 0.00 117 F 9.32 4.95 0.00 3.14 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 0.00 118 E 8.99 5.00 0.00 2.03 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 2.25 2.38 0.00 119 I 8.69 5.03 1.93 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 0.87 0.69 0.99 0.00 0.00 120 E 9.11 5.57 0.00 2.05 1.97 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 2.26 2.14 0.00 121 L 8.78 4.50 0.00 1.91 1.77 1.10 1.24 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 0.00 122 I 8.62 4.17 2.09 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 1.44 0.99 0.92 0.00 0.00 123 S 7.69 4.77 0.00 3.72 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 F 8.02 5.42 0.00 2.97 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 0.00 125 R 8.74 4.73 0.00 1.76 1.89 0.00 3.06 0.00 0.00 3.28 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.77 0.00 126 E 8.62 4.29 0.00 2.07 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.27 0.00