NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4669 8.3344 116.7987 58.4975 65.1108 174.2794 2 S 3.8567 7.9785 113.7708 58.7568 63.1646 171.7520 3 A 3.7788 9.0986 128.9613 53.3274 14.5858 175.4373 4 S 4.2510 7.1582 117.4403 54.9133 64.1492 175.0923 5 D 4.8559 8.9843 120.3719 55.5664 38.4255 175.1573 6 G 3.9934 7.3522 109.0302 42.9563 0.0000 172.0242 7 F 4.7871 7.9751 121.7125 55.9576 43.4371 175.7181 8 K 3.8738 8.9767 125.5404 59.4127 32.3448 178.2645 9 A 3.8951 8.2270 119.8848 54.0892 17.8498 178.5014 10 N 4.5339 8.3005 115.9136 56.6577 39.3282 176.4529 11 L 4.1956 7.9049 120.8408 58.6155 40.2418 179.0805 12 V 3.3947 7.3888 119.1193 65.9422 31.3392 178.1520 13 F 4.1594 7.3005 116.4459 59.9462 38.5807 177.3380 14 K 4.1475 8.1436 119.5144 58.9666 31.8780 178.6989 15 E 3.9801 7.8726 118.4509 59.4051 29.4958 179.2060 16 I 3.8713 7.7979 119.1984 64.5142 37.3198 177.7482 17 E 4.0103 8.5120 120.1786 59.2468 29.3748 178.7592 18 K 3.8810 8.3775 119.9007 59.3901 32.2850 178.5073 19 K 3.6970 7.7403 119.4693 59.5202 31.9427 178.4801 20 L 3.8665 7.5056 118.8085 57.8167 41.3001 179.4618 21 E 3.9178 8.3717 117.5187 59.5145 29.5608 178.9498 22 E 4.1093 7.9311 117.0852 58.7600 31.1691 178.1480 23 E 4.7142 8.3891 117.1391 54.0786 31.1267 176.2624 24 G 3.7944 8.4038 109.5337 46.2896 0.0000 173.2096 25 E 3.9672 7.7144 121.0307 59.6882 29.3399 178.5182 26 Q 4.2290 8.0327 117.6008 58.7385 29.5490 177.3811 27 F 4.5038 8.2557 118.7606 60.0726 39.0473 177.4729 28 V 3.7855 8.3666 118.5949 66.2418 31.1823 178.2482 29 K 4.1311 7.5455 114.4303 58.5851 31.9436 178.9113 30 K 4.1905 8.0461 119.3702 58.4070 32.0466 177.7933 31 I 4.1660 7.6769 116.5166 62.0741 40.1015 175.5242 32 G 3.7561 8.3004 106.2524 44.7131 0.0000 171.5495 33 G 4.1107 8.0683 106.8250 46.2238 0.0000 171.1483 34 I 4.9708 8.5373 121.1021 59.4266 39.3188 175.4684 35 F 6.1355 8.3317 120.2514 53.9942 42.0172 173.2421 36 A 5.1132 8.6211 119.9062 50.4277 22.2750 176.0806 37 F 5.4150 9.1601 120.7597 56.3410 39.4705 174.6176 38 K 4.2275 9.0772 123.5129 56.0067 33.1367 176.5329 39 V 4.3170 8.1636 126.9681 60.9380 33.6062 175.1996 40 K 4.4940 8.4988 128.3281 55.1656 35.6369 175.2597 41 D 4.7079 8.6082 116.0161 55.4268 39.3367 173.0069 42 G 4.2359 8.1360 108.8928 44.4986 0.0000 172.0077 43 P 5.1465 0.0000 0.0000 60.3226 28.4183 174.3669 44 G 3.3298 9.4975 116.5309 45.5932 0.0000 172.5724 45 G 3.9910 8.0393 109.3137 44.8655 0.0000 173.6724 46 K 4.5353 7.8448 118.9605 56.4624 33.5114 175.1275 47 E 5.2364 8.9144 116.9842 55.0904 32.6909 174.3909 48 A 4.8862 8.1816 121.9526 50.6800 22.8081 174.8724 49 T 5.2481 7.9105 113.2033 61.9251 72.9152 173.8417 50 W 4.4470 8.7126 122.8151 54.8551 32.6223 174.7854 51 V 4.3712 8.1903 123.5600 61.7827 33.2971 174.8867 52 V 4.2938 8.0404 126.5063 60.8307 34.3161 173.9961 53 D 4.5620 8.8096 129.4893 53.2516 42.1103 176.8256 54 V 4.8870 8.3111 122.8897 61.1017 31.4806 177.0371 55 K 4.2125 8.3678 120.3243 58.0080 35.1663 175.7823 56 N 4.5994 9.0399 117.4383 53.7427 40.2157 174.5892 57 G 4.0959 8.3166 112.4074 47.1975 0.0000 174.4325 58 K 4.3313 8.9275 124.9300 55.3089 32.4132 176.6798 59 G 4.0578 9.5718 104.1560 46.1817 0.0000 173.2738 60 S 4.6246 8.0671 111.9477 57.5408 67.8371 176.0842 61 V 4.2044 8.5610 122.9451 63.0156 32.9280 176.0426 62 L 4.8146 8.9191 125.2367 51.9615 43.2065 173.4144 63 P 3.8969 0.0000 0.0000 62.8960 32.4818 175.9746 64 N 3.8297 7.8018 117.6487 54.0243 36.3912 174.4528 65 S 4.3520 7.6492 110.1193 57.9522 63.3012 173.3965 66 D 4.5292 8.3530 123.6324 54.3554 41.1637 176.9191 67 K 3.7113 7.9470 121.0725 56.5852 32.3339 176.5888 68 K 4.3201 8.3700 125.0033 56.3445 34.0620 175.5065 69 A 4.7027 7.9588 120.1900 50.6122 21.9096 176.0380 70 D 4.6349 8.8975 121.9450 56.3221 40.4317 176.0191 71 C 4.8977 7.9359 114.6219 58.9613 33.4118 173.4141 72 T 5.0460 8.1598 116.4233 62.4747 72.0164 173.6347 73 I 4.4753 8.7216 127.7297 60.2034 39.5785 174.3699 74 T 5.0599 8.5254 125.0974 63.9245 70.3683 171.1143 75 M 4.9836 9.2499 121.0548 55.0731 34.6121 177.0509 76 A 4.5904 9.3718 127.2755 52.5549 22.5551 178.2754 77 D 4.3207 8.3885 120.0553 57.7143 41.2482 178.5320 78 S 4.4349 8.1173 109.2282 59.3276 62.8590 173.7863 79 D 4.6613 7.9165 118.1511 56.8966 41.8140 177.5887 80 F 3.7953 8.5798 118.5874 60.4540 38.8466 176.8446 81 L 3.5885 8.2114 119.3023 58.7887 41.8516 179.1840 82 A 3.9644 7.9469 119.5102 54.9649 18.3066 178.3677 83 L 3.8794 7.7139 120.1563 58.2006 41.9086 178.6562 84 M 4.4025 7.5046 120.3860 57.5998 31.6645 178.3445 85 T 4.0493 8.0600 116.3025 63.8474 68.7969 174.5155 86 G 3.8361 7.6679 108.0856 46.3909 0.0000 175.2848 87 K 4.0527 8.2352 123.1519 59.1912 32.5098 176.4067 88 M 4.4322 7.7267 114.3602 54.0794 35.5386 172.8568 89 N 3.9619 8.5163 119.5855 52.5585 37.8951 172.5839 90 P 4.5346 0.0000 0.0000 62.1288 32.2297 177.2943 91 Q 4.6083 7.9798 118.4307 55.2608 29.4483 173.4785 92 S 4.1327 9.2535 118.6110 61.7042 63.4505 174.9193 93 A 3.7550 8.1848 120.5599 52.3080 18.7214 180.4021 94 F 4.0425 8.3509 120.1496 58.2335 41.1359 177.3680 95 F 3.9451 8.4059 117.2505 58.2597 39.1565 176.4765 96 Q 4.0679 8.3360 120.0137 57.4565 28.8533 176.4530 97 G 3.7040 8.4868 104.9800 46.4134 0.0000 175.0857 98 K 4.0633 8.0776 116.8054 56.8658 32.7905 177.1423 99 L 3.5841 7.3936 118.9919 55.3773 40.8430 174.9014 100 K 4.0532 7.9716 116.2452 56.7780 33.2030 177.0392 101 I 4.1171 8.2303 124.5765 61.3496 38.0413 174.7604 102 T 4.5495 7.8910 110.3681 60.7132 71.0285 174.2110 103 G 3.7759 8.5103 112.8254 46.5348 0.0000 172.7293 104 N 4.0772 7.2233 114.0132 53.6879 42.8976 173.3161 105 M 4.1948 8.2833 118.3916 56.1149 32.7153 174.9444 106 G 4.3747 8.9980 111.9229 47.5283 0.0000 175.6426 107 L 3.8345 7.6160 119.9337 57.1172 39.7925 177.7726 108 A 4.0927 6.9635 123.5005 53.4226 19.0187 178.3898 109 M 4.6431 7.1323 110.3476 53.1713 31.4017 176.3546 110 K 3.9785 8.0307 119.3620 58.8148 33.2413 175.4867 111 L 4.4096 6.8214 115.9813 56.4059 43.2312 173.3217 112 Q 4.4723 8.4129 114.5583 57.4258 30.8821 177.1163 113 N 4.4405 8.1677 114.5739 55.5466 39.1392 175.0322 114 L 4.4752 7.8970 118.1525 56.7834 42.5530 176.7336 115 Q 4.4588 8.4330 117.6077 56.2751 28.5583 173.7381 116 L 3.3540 8.0945 118.5280 55.6015 41.3195 174.7835 117 Q 4.0798 8.3640 118.6975 55.3101 29.0628 175.0719 118 P 4.6247 0.0000 0.0000 62.5524 32.6674 177.3373 119 G 4.1426 7.7533 106.3438 43.8112 0.0000 170.4487 120 N 4.1997 7.8081 117.6631 52.8551 42.0198 174.0194 121 A 4.0906 8.6409 129.4023 51.2293 17.8369 177.1622 122 K 4.0802 8.4083 124.3390 56.7149 31.3415 176.6892 123 L 3.9511 8.3430 126.8156 55.4019 42.9250 174.0883 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 S 8.33 4.47 0.00 3.90 4.04 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 2 S 7.98 3.86 0.00 3.91 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 3 A 9.10 3.78 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 S 7.16 4.25 0.00 4.23 3.97 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 5 D 8.98 4.86 0.00 2.84 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 G 7.35 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 7 F 7.98 4.79 0.00 3.33 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 8 K 8.98 3.87 0.00 1.75 1.89 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.47 7.81 9 A 8.23 3.90 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 10 N 8.30 4.53 0.00 3.27 3.09 0.00 0.00 7.79 8.89 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 11 L 7.90 4.20 0.00 1.91 1.95 0.92 0.57 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 12 V 7.39 3.39 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 0.37 0.00 0.00 0.74 0.00 0.00 13 F 7.30 4.16 0.00 1.94 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.14 4.15 0.00 2.00 1.98 0.00 1.73 0.00 0.00 1.79 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.60 7.81 15 E 7.87 3.98 0.00 2.13 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.46 0.00 16 I 7.80 3.87 2.29 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 1.85 1.32 1.31 0.00 0.00 17 E 8.51 4.01 0.00 2.19 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 0.00 2.37 2.41 0.00 18 K 8.38 3.88 0.00 1.97 1.97 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.60 7.81 19 K 7.74 3.70 0.00 1.74 1.62 0.00 1.45 0.00 0.00 1.50 0.00 0.00 2.79 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.60 0.32 7.81 20 L 7.51 3.87 0.00 2.02 1.72 1.23 0.91 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 21 E 8.37 3.92 0.00 2.01 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 2.51 2.51 0.00 22 E 7.93 4.11 0.00 1.97 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 2.32 2.51 0.00 23 E 8.39 4.71 0.00 1.86 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 2.18 2.21 0.00 24 G 8.40 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 0.00 0.00 0.00 25 E 7.71 3.97 0.00 2.10 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 2.33 2.49 0.00 26 Q 8.03 4.23 0.00 2.16 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.92 0.00 0.00 0.00 0.00 0.00 2.43 2.50 0.00 27 F 8.26 4.50 0.00 3.15 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 V 8.37 3.79 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 1.19 0.00 0.00 1.03 0.00 0.00 29 K 7.55 4.13 0.00 2.04 1.90 0.00 1.78 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.52 7.81 30 K 8.05 4.19 0.00 1.88 1.74 0.00 1.52 0.00 0.00 1.59 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.61 7.81 31 I 7.68 4.17 2.01 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 1.66 0.59 1.17 0.00 0.00 32 G 8.30 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 0.00 0.00 0.00 33 G 8.07 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 34 I 8.54 4.97 1.83 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 1.28 0.59 0.88 0.00 0.00 35 F 8.33 6.14 0.00 3.13 3.09 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 36 A 8.62 5.11 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 F 9.16 5.41 0.00 3.13 2.78 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 38 K 9.08 4.23 0.00 2.04 1.85 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.78 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.59 7.81 39 V 8.16 4.32 1.67 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 0.70 0.00 0.00 -0.15 0.00 0.00 40 K 8.50 4.49 0.00 1.92 1.99 0.00 1.77 0.00 0.00 1.79 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.50 1.49 7.81 41 D 8.61 4.71 0.00 2.85 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 42 G 8.14 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 0.00 0.00 0.00 0.00 43 P 0.00 5.15 0.00 2.20 2.15 0.00 4.11 0.00 0.00 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 44 G 9.50 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 G 8.04 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 46 K 7.84 4.54 0.00 1.83 1.97 0.00 1.62 0.00 0.00 1.87 0.00 0.00 2.87 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.58 1.48 7.81 47 E 8.91 5.24 0.00 2.07 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 2.21 2.34 0.00 48 A 8.18 4.89 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 T 7.91 5.25 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 1.30 0.00 0.00 50 W 8.71 4.45 0.00 2.68 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 51 V 8.19 4.37 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 0.88 0.00 0.00 0.91 0.00 0.00 52 V 8.04 4.29 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 0.66 0.00 0.00 0.77 0.00 0.00 53 D 8.81 4.56 0.00 2.70 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 54 V 8.31 4.89 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 0.78 0.00 0.00 1.00 0.00 0.00 55 K 8.37 4.21 0.00 1.75 1.73 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.44 7.81 56 N 9.04 4.60 0.00 3.09 2.71 0.00 0.00 7.23 7.52 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 57 G 8.32 4.10 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 0.00 0.00 0.00 58 K 8.93 4.33 0.00 1.81 1.81 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.40 7.81 59 G 9.57 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 S 8.07 4.62 0.00 3.73 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 V 8.56 4.20 2.41 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 1.09 0.00 0.00 1.10 0.00 0.00 62 L 8.92 4.81 0.00 1.49 1.45 0.85 1.23 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 63 P 0.00 3.90 0.00 1.77 1.92 0.00 3.88 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 1.91 2.01 0.00 64 N 7.80 3.83 0.00 2.61 2.67 0.00 0.00 6.74 7.30 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 65 S 7.65 4.35 0.00 3.91 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 66 D 8.35 4.53 0.00 2.66 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 67 K 7.95 3.71 0.00 1.64 1.69 0.00 1.63 0.00 0.00 1.72 0.00 0.00 3.09 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.47 7.81 68 K 8.37 4.32 0.00 1.89 1.83 0.00 1.58 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.38 1.42 7.81 69 A 7.96 4.70 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 D 8.90 4.63 0.00 2.69 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 71 C 7.94 4.90 0.00 2.90 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 72 T 8.16 5.05 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 1.36 0.00 0.00 73 I 8.72 4.48 1.87 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 1.22 2.39 1.32 0.00 0.00 74 T 8.53 5.06 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 1.28 0.00 0.00 75 M 9.25 4.98 0.00 1.84 1.61 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 2.45 2.50 0.00 76 A 9.37 4.59 1.32 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 77 D 8.39 4.32 0.00 2.98 2.86 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 0.00 0.00 0.00 78 S 8.12 4.43 0.00 3.90 3.88 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 79 D 7.92 4.66 0.00 2.80 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 80 F 8.58 3.80 0.00 3.07 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 81 L 8.21 3.59 0.00 1.72 1.79 0.87 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 82 A 7.95 3.96 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 L 7.71 3.88 0.00 1.73 1.60 0.70 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 84 M 7.50 4.40 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 85 T 8.06 4.05 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 1.18 0.00 0.00 86 G 7.67 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 87 K 8.24 4.05 0.00 1.67 1.81 0.00 1.70 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.43 7.81 88 M 7.73 4.43 0.00 1.93 1.84 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.49 0.00 89 N 8.52 3.96 0.00 2.53 2.64 0.00 0.00 6.82 7.95 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 90 P 0.00 4.53 0.00 2.03 1.96 0.00 3.69 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 1.84 1.84 0.00 91 Q 7.98 4.61 0.00 2.05 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.75 6.56 0.00 0.00 0.00 0.00 0.00 1.98 1.65 0.00 92 S 9.25 4.13 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 93 A 8.18 3.75 1.26 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 94 F 8.35 4.04 0.00 3.07 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 F 8.41 3.95 0.00 2.59 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 96 Q 8.34 4.07 0.00 2.49 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.66 0.00 0.00 0.00 0.00 0.00 2.46 2.49 0.00 97 G 8.49 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 8.08 4.06 0.00 1.88 1.91 0.00 1.95 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.61 7.81 99 L 7.39 3.58 0.00 1.76 1.69 0.91 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 100 K 7.97 4.05 0.00 2.04 1.93 0.00 1.48 0.00 0.00 1.65 0.00 0.00 3.07 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.38 1.51 7.81 101 I 8.23 4.12 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 1.49 0.52 0.93 0.00 0.00 102 T 7.89 4.55 4.35 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 1.15 0.00 0.00 103 G 8.51 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 0.00 104 N 7.22 4.08 0.00 2.82 2.77 0.00 0.00 7.44 7.68 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 0.00 105 M 8.28 4.19 0.00 1.98 2.04 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.52 0.00 106 G 9.00 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 0.00 0.00 0.00 0.00 107 L 7.62 3.83 0.00 1.55 1.65 0.81 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 108 A 6.96 4.09 1.20 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 0.00 109 M 7.13 4.64 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.42 0.00 110 K 8.03 3.98 0.00 1.83 1.81 0.00 1.68 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.45 7.81 111 L 6.82 4.41 0.00 1.64 1.61 1.00 0.50 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 0.00 112 Q 8.41 4.47 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.64 6.96 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 113 N 8.17 4.44 0.00 2.76 3.06 0.00 0.00 7.01 7.80 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 0.00 114 L 7.90 4.48 0.00 1.37 1.57 -0.45 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 115 Q 8.43 4.46 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 5.68 0.00 0.00 0.00 0.00 0.00 2.28 2.37 0.00 116 L 8.09 3.35 0.00 1.73 1.65 0.86 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 117 Q 8.36 4.08 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.07 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 118 P 0.00 4.62 0.00 2.16 2.05 0.00 3.78 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.09 0.00 119 G 7.75 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 N 7.81 4.20 0.00 2.61 2.63 0.00 0.00 7.25 7.95 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 0.00 121 A 8.64 4.09 1.26 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 0.00 122 K 8.41 4.08 0.00 1.82 1.76 0.00 1.90 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.40 1.40 7.81 123 L 8.34 3.95 0.00 1.78 1.60 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00