NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4347 8.3044 118.1950 55.1653 32.5389 174.4149 1 V 4.2030 7.9031 118.8122 60.7622 34.1920 173.6748 2 L 4.2614 8.3296 127.6253 54.2257 43.4546 176.8954 3 S 4.5838 8.6133 117.0355 57.5660 65.5015 175.1170 4 E 4.3184 8.7825 122.3051 59.4385 29.3921 178.9786 5 G 3.6193 8.1002 105.4544 47.7273 0.0000 175.4490 6 E 3.9162 8.0837 120.4765 59.0145 29.3786 179.3805 7 W 4.3267 8.0918 118.9800 59.9432 29.0752 178.5861 8 Q 4.1376 8.5498 118.3360 59.0211 28.0120 178.8319 9 L 4.1171 8.0118 119.9934 57.6744 41.6074 179.8013 10 V 3.7610 7.9024 118.2808 66.0118 31.5748 177.9518 11 L 4.3546 8.5755 118.4219 57.0975 41.1126 178.8554 12 H 4.2486 8.4032 119.0603 59.1665 29.8869 177.3906 13 V 3.3664 7.7587 120.2691 65.6849 31.3129 177.6055 14 W 3.9776 8.5507 127.9695 60.5613 30.1711 177.7600 15 A 3.9574 7.9405 119.8532 54.7519 17.9964 179.5850 16 K 3.9304 7.2922 116.9882 59.4733 32.2035 179.4316 17 V 2.8429 7.1486 118.4413 65.9667 31.0024 177.7241 18 E 3.8737 7.6368 115.8942 58.2676 29.2642 178.6423 19 A 4.2158 7.5144 120.6073 53.7129 20.0028 177.4209 20 D 4.6355 7.9491 116.7404 51.7072 41.9766 175.5359 21 V 3.4900 7.8925 122.7022 65.4395 32.0254 176.8554 22 A 4.0841 7.9663 120.2817 54.8834 18.3396 179.6740 23 G 3.8128 8.1741 105.5952 47.8820 0.0000 175.6808 24 H 4.1725 8.2673 119.3857 58.3062 28.6617 178.0807 25 G 3.6522 8.4640 107.9574 47.8455 0.0000 175.7773 26 Q 3.9143 8.1101 120.1768 58.8665 28.8257 178.3593 27 D 4.3211 7.9718 119.7803 57.5563 40.8240 179.1472 28 I 3.6671 7.7992 120.0312 64.4927 37.0649 178.6302 29 L 3.4611 7.7611 119.6120 57.3189 41.2210 179.6150 30 I 3.7388 7.7318 120.1799 64.1145 36.9757 178.3375 31 R 3.8057 7.9952 119.7153 58.9454 29.7753 178.4380 32 L 3.8766 7.8503 120.3806 58.3156 41.9311 179.0776 33 F 4.5855 7.8826 117.8557 60.4732 38.5321 177.8906 34 K 4.0592 8.2407 117.9652 59.3578 32.0055 179.3080 35 S 4.3245 8.0916 114.8600 60.3639 63.9088 174.3812 36 H 4.7201 8.3827 119.3950 52.1163 29.5817 171.9244 37 P 4.5131 0.0000 0.0000 64.4873 31.2211 177.5145 38 E 4.2309 8.2917 116.5736 59.7205 29.3785 179.2238 39 T 3.7587 8.2677 111.0095 64.4370 68.7504 176.2333 40 L 3.5206 7.8133 122.7051 57.7954 41.7280 178.6920 41 E 4.1089 7.7962 117.6113 58.7920 29.3973 178.8633 42 K 4.3849 8.0373 117.5112 57.2817 32.5298 176.8452 43 F 4.5128 8.1324 118.8442 55.9374 38.3257 176.3042 44 D 4.5428 8.5602 126.4685 56.5496 40.9914 178.3315 45 R 4.2422 8.0360 117.2075 58.0341 30.7156 177.4478 46 V 4.4732 8.0281 109.0061 60.5560 32.9664 177.1886 47 K 4.0775 8.1688 119.6100 58.7646 32.6259 177.3250 48 H 4.4903 7.9705 114.1399 56.4087 29.2681 175.6322 49 L 4.0320 7.2931 121.4642 55.1838 41.7216 177.0264 50 K 4.3404 9.4038 122.8206 57.0821 33.5789 176.8459 51 T 4.7417 7.4470 107.8461 58.9124 73.2182 174.2412 52 E 3.9673 8.6373 120.8307 59.1599 29.5118 178.6199 53 A 3.9806 7.9256 120.7040 55.1132 18.2910 179.2744 54 E 3.9507 7.8783 115.8237 59.7515 29.8525 179.1687 55 M 4.2200 8.0769 118.8309 58.3656 31.8050 178.9920 56 K 4.0521 8.3198 117.7318 58.6385 32.2974 178.2939 57 A 4.4919 7.4166 118.3928 51.1162 19.5450 176.8146 58 S 4.3356 7.4590 114.1931 57.2516 63.1968 174.5763 59 E 4.0091 8.8661 128.6954 59.3886 29.4994 178.3347 60 D 4.3916 8.0665 118.6492 57.2768 40.9040 178.3203 61 L 4.0126 8.1133 120.9066 57.9721 42.1827 178.9557 62 K 3.9528 8.0068 119.2406 59.3004 32.1284 179.0608 63 K 3.9955 8.2889 118.9609 59.5611 32.0090 178.5579 64 H 4.0988 8.4153 118.7223 59.4464 29.7809 177.2399 65 G 3.7089 8.2977 107.3926 48.0339 0.0000 175.7601 66 V 3.6554 7.6891 120.2061 65.8761 31.5396 178.2738 67 T 3.8473 7.9543 115.6054 66.5415 68.2760 176.7103 68 V 3.6127 7.7707 119.9910 66.2020 31.5565 178.1745 69 L 4.2377 8.0944 118.6445 57.9882 41.5579 179.6725 70 T 3.9525 8.3473 115.9463 66.6178 68.2767 176.6613 71 A 4.0377 8.1339 122.7671 54.9795 18.2882 179.4919 72 L 3.7591 8.2490 119.2386 58.0398 42.1382 179.4232 73 G 3.3203 8.4717 105.7620 47.5800 0.0000 175.5990 74 A 4.0517 7.6840 121.7973 54.7369 18.6211 179.6233 75 I 3.8010 7.3201 118.5086 64.5719 37.2320 178.6149 76 L 3.9955 7.8091 119.9531 57.6005 41.1259 179.6406 77 K 3.9490 7.7132 117.3394 58.6650 32.2750 179.1026 78 K 3.9119 7.8228 118.6578 56.5927 32.0339 176.9884 79 K 2.0000 8.2515 117.6282 56.4836 29.7478 175.7353 80 G 4.0696 8.0963 106.9376 45.9653 0.0000 174.7198 81 H 5.2378 7.6873 117.9474 54.1043 27.2002 174.5213 82 H 5.2481 7.2616 112.3399 53.8659 29.6202 176.4082 83 E 3.9529 8.4722 121.3088 60.0771 29.0317 179.1770 84 A 4.0445 7.9022 118.4568 55.2963 18.1875 179.0533 85 E 4.0849 8.1776 116.6084 59.5234 29.5108 179.3657 86 L 4.2320 8.2081 118.8564 57.0717 41.6522 179.4162 87 K 3.9650 7.7788 118.4022 59.1001 32.0683 177.4512 88 P 4.3132 0.0000 0.0000 65.7410 31.2565 178.1433 89 L 4.0107 7.5253 116.6910 57.9211 42.0010 178.8441 90 A 4.2152 8.4684 121.2328 55.1263 18.3394 179.4147 91 Q 3.8830 8.2670 118.3649 59.4413 29.1248 178.7137 92 S 4.0538 8.2961 115.3213 61.6376 63.0283 175.9225 93 H 4.1655 8.6424 119.2078 57.7130 28.8601 177.2236 94 A 2.8107 8.0614 122.7698 53.3039 18.5675 178.3571 95 T 3.9233 7.5686 108.3244 61.5362 68.7055 174.3554 96 K 4.2090 7.5810 119.3431 58.3463 33.8482 176.4004 97 H 4.4037 7.9834 114.3678 55.7436 29.5110 174.5946 98 K 3.3539 6.8706 116.9494 56.5359 28.6942 173.8304 99 I 4.3729 8.1167 119.3564 58.3349 39.0807 174.6219 100 P 4.5646 0.0000 0.0000 62.2615 32.1939 177.4439 101 I 3.6686 8.1198 120.7201 64.3231 36.8543 178.4776 102 K 3.7516 7.9853 120.0526 60.0315 31.8345 178.1691 103 Y 4.1225 7.8861 116.6225 60.9994 37.7957 178.5097 104 L 4.2025 7.8744 119.6186 57.6070 41.7510 179.1188 105 E 4.0138 8.1235 118.6736 59.4970 29.4424 179.2576 106 F 4.6475 7.9518 117.7393 60.9467 38.9304 177.6617 107 I 3.9181 8.1617 117.8365 63.8477 37.7641 178.1152 108 S 4.2113 8.0410 116.0807 61.4396 62.6451 176.1122 109 E 4.0349 8.4672 121.9937 59.2644 29.4342 178.7808 110 A 4.0787 8.0746 120.8936 55.0470 18.3524 179.7532 111 I 3.7304 8.1228 118.6575 64.6947 37.2300 178.7517 112 I 3.8589 8.0153 120.7013 64.4198 36.9054 178.0673 113 H 4.1403 8.4267 119.2052 59.3303 29.7059 177.5533 114 V 3.5663 7.8577 120.0248 65.9692 31.2650 177.9601 115 L 3.7995 7.9249 118.8413 57.8604 41.0647 178.9208 116 H 4.3154 7.8659 117.1822 59.4986 29.8801 177.2597 117 S 4.1825 7.8691 115.8710 61.5187 62.7685 176.4091 118 R 4.0606 8.0166 119.6557 57.4889 31.2901 176.5123 119 H 5.0266 8.2065 115.4355 53.9773 29.3228 173.1057 120 P 4.3614 0.0000 0.0000 65.5573 31.8716 179.3172 121 G 3.6496 8.1191 106.9399 47.4400 0.0000 173.8206 122 N 4.9283 8.1775 115.0379 53.0134 39.3818 174.6597 123 F 5.0247 7.7709 119.7693 56.7716 39.8271 175.0786 124 G 3.8917 7.6552 108.8772 44.3512 0.0000 171.9998 125 A 3.8768 8.4015 120.6664 55.3734 18.4821 179.8533 126 D 4.1994 7.9581 116.7538 57.4052 40.9216 178.7333 127 A 3.9745 7.7538 120.8578 54.9405 18.4109 179.3286 128 Q 3.1269 7.8187 118.5532 58.8098 28.9375 178.5388 129 G 3.5620 8.1227 106.7883 47.5657 0.0000 175.6489 130 A 3.8435 7.9456 123.1434 55.0075 18.3873 179.4235 131 M 3.9634 8.1830 116.8774 58.7520 32.2888 177.8953 132 N 4.3130 8.5937 117.6801 56.6182 39.0274 176.6743 133 K 3.8373 8.2471 120.9318 59.4715 32.2046 178.6442 134 A 3.8284 8.0483 121.1456 55.0530 18.1669 179.5981 135 L 4.1165 8.1820 117.5452 57.6527 41.6404 179.4871 136 E 3.9609 8.5739 119.1929 59.1236 29.4134 178.8517 137 L 3.9373 8.1997 120.6979 58.2268 42.0891 178.5222 138 F 4.1656 8.4135 120.4650 61.6838 39.1639 177.3233 139 R 3.4182 8.2114 117.4795 58.9044 29.8228 178.9941 140 K 3.8205 8.2261 119.6393 59.6764 32.3363 178.6602 141 D 4.3348 8.1103 119.1233 57.2657 40.6318 178.8938 142 I 3.4335 7.6941 120.4889 64.1896 37.0171 178.2335 143 A 3.7219 7.8804 121.5962 55.0924 18.2107 179.5879 144 A 3.9701 7.9437 119.3056 55.1662 18.4351 180.0773 145 K 4.0226 7.9134 116.8928 59.6363 32.0601 179.0323 146 Y 4.4027 8.4616 117.5995 61.1723 37.8185 178.7683 147 K 3.9536 8.1911 120.3248 59.7429 32.1198 178.7459 148 E 4.0566 7.9720 117.1538 59.0797 29.4358 178.6777 149 L 4.3409 7.8436 117.3614 55.3490 41.9117 177.7324 150 G 4.0080 8.0946 107.2662 45.6241 0.0000 172.9474 151 Y 4.4270 8.1254 119.2521 59.0577 40.4333 176.4183 152 Q 3.1180 7.7207 114.4181 56.9718 26.9920 173.7239 153 G 3.0115 7.5953 110.9025 44.6995 0.0000 170.9544 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 0 M 8.30 4.43 0.00 2.13 2.12 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 2.47 2.54 0.00 1 V 7.90 4.20 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.95 0.00 0.00 2 L 8.33 4.26 0.00 1.04 0.76 0.59 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.61 4.58 0.00 4.06 3.98 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 4 E 8.78 4.32 0.00 2.20 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 2.43 2.51 0.00 5 G 8.10 3.62 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 0.00 6 E 8.08 3.92 0.00 1.96 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.25 0.00 7 W 8.09 4.33 0.00 3.53 3.18 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 8 Q 8.55 4.14 0.00 2.33 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.45 2.74 0.00 9 L 8.01 4.12 0.00 1.88 1.75 0.89 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.90 3.76 2.42 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 1.18 0.00 0.00 0.92 0.00 0.00 11 L 8.58 4.35 0.00 1.85 1.81 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.40 4.25 0.00 3.45 3.57 0.00 5.78 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.76 3.37 2.28 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 1.01 0.00 0.00 1.31 0.00 0.00 14 W 8.55 3.98 0.00 3.67 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 15 A 7.94 3.96 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 16 K 7.29 3.93 0.00 1.46 1.69 0.00 1.65 0.00 0.00 1.47 0.00 0.00 2.72 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.47 7.81 17 V 7.15 2.84 0.98 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 -0.02 0.00 0.00 0.41 0.00 0.00 18 E 7.64 3.87 0.00 1.97 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 2.19 2.08 0.00 19 A 7.51 4.22 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 20 D 7.95 4.64 0.00 2.70 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 21 V 7.89 3.49 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 1.05 0.00 0.00 0.84 0.00 0.00 22 A 7.97 4.08 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 23 G 8.17 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 0.00 0.00 0.00 24 H 8.27 4.17 0.00 3.13 3.25 0.00 5.83 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.46 3.65 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 0.00 0.00 0.00 26 Q 8.11 3.91 0.00 2.25 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.71 0.00 0.00 0.00 0.00 0.00 2.36 2.49 0.00 27 D 7.97 4.32 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 28 I 7.80 3.67 1.92 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 1.53 0.60 0.90 0.00 0.00 29 L 7.76 3.46 0.00 1.46 1.05 0.87 0.62 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 30 I 7.73 3.74 1.89 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 1.44 0.80 0.90 0.00 0.00 31 R 8.00 3.81 0.00 1.88 2.16 0.00 3.01 0.00 0.00 2.98 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 32 L 7.85 3.88 0.00 1.73 1.39 1.06 0.93 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 33 F 7.88 4.59 0.00 3.06 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 34 K 8.24 4.06 0.00 1.68 1.84 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.79 7.81 35 S 8.09 4.32 0.00 3.76 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 H 8.38 4.72 0.00 2.87 3.06 0.00 5.62 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.51 0.00 2.15 2.09 0.00 3.83 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.98 0.00 38 E 8.29 4.23 0.00 2.29 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 0.00 2.28 2.54 0.00 39 T 8.27 3.76 4.41 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 0.79 0.00 0.00 40 L 7.81 3.52 0.00 1.31 1.69 -0.10 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.80 4.11 0.00 2.20 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 2.36 2.37 0.00 42 K 8.04 4.38 0.00 1.81 1.68 0.00 1.86 0.00 0.00 1.73 0.00 0.00 3.14 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.69 1.92 7.81 43 F 8.13 4.51 0.00 3.17 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 44 D 8.56 4.54 0.00 2.66 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 R 8.04 4.24 0.00 1.89 2.04 0.00 3.20 0.00 0.00 3.30 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 46 V 8.03 4.47 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 0.87 0.00 0.00 0.77 0.00 0.00 47 K 8.17 4.08 0.00 1.84 2.19 0.00 1.58 0.00 0.00 1.77 0.00 0.00 2.95 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.57 1.46 7.81 48 H 7.97 4.49 0.00 3.27 3.48 0.00 5.54 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.29 4.03 0.00 1.52 1.56 0.85 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.40 4.34 0.00 1.66 1.83 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.48 7.81 51 T 7.45 4.74 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 52 E 8.64 3.97 0.00 2.05 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 2.37 2.37 0.00 53 A 7.93 3.98 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 54 E 7.88 3.95 0.00 2.13 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 2.34 2.34 0.00 55 M 8.08 4.22 0.00 2.12 2.30 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.61 0.00 56 K 8.32 4.05 0.00 1.85 1.86 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.46 1.44 7.81 57 A 7.42 4.49 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 58 S 7.46 4.34 0.00 3.90 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 59 E 8.87 4.01 0.00 2.13 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 2.38 2.47 0.00 60 D 8.07 4.39 0.00 2.76 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.11 4.01 0.00 1.74 1.83 1.11 0.50 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 62 K 8.01 3.95 0.00 1.89 2.01 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.48 7.81 63 K 8.29 4.00 0.00 1.87 1.88 0.00 1.78 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.76 1.63 7.81 64 H 8.42 4.10 0.00 3.38 3.45 0.00 5.80 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.30 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 0.00 0.00 0.00 66 V 7.69 3.66 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.96 0.00 0.00 67 T 7.95 3.85 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 68 V 7.77 3.61 2.24 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 1.10 0.00 0.00 1.06 0.00 0.00 69 L 8.09 4.24 0.00 1.80 1.84 0.91 0.73 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 70 T 8.35 3.95 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 1.25 0.00 0.00 71 A 8.13 4.04 1.34 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 0.00 0.00 0.00 72 L 8.25 3.76 0.00 1.68 1.68 0.28 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.47 3.32 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 0.00 74 A 7.68 4.05 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 75 I 7.32 3.80 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.71 0.85 0.00 0.00 76 L 7.81 4.00 0.00 1.36 1.52 -0.12 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.71 3.95 0.00 1.66 1.80 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.15 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.46 1.51 7.81 78 K 7.82 3.91 0.00 1.85 1.79 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.86 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.60 1.83 7.81 79 K 8.25 2.00 0.00 1.31 0.74 0.00 1.48 0.00 0.00 1.45 0.00 0.00 2.74 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.30 0.77 7.81 80 G 8.10 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 H 7.69 5.24 0.00 3.15 3.20 0.00 5.75 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.26 5.25 0.00 3.30 3.46 0.00 5.68 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.47 3.95 0.00 2.10 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 0.00 2.43 2.50 0.00 84 A 7.90 4.04 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 85 E 8.18 4.08 0.00 2.26 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 2.40 2.47 0.00 86 L 8.21 4.23 0.00 1.95 1.74 1.01 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.78 3.96 0.00 1.99 1.88 0.00 1.69 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.65 7.81 88 P 0.00 4.31 0.00 2.30 2.33 0.00 3.75 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.05 0.00 89 L 7.53 4.01 0.00 1.80 1.94 0.93 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.47 4.22 1.49 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 0.00 0.00 0.00 0.00 0.00 0.00 91 Q 8.27 3.88 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.75 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 92 S 8.30 4.05 0.00 3.99 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 93 H 8.64 4.17 0.00 3.63 3.62 0.00 5.80 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 8.06 2.81 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 95 T 7.57 3.92 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 96 K 7.58 4.21 0.00 1.57 1.64 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.87 1.25 7.81 97 H 7.98 4.40 0.00 2.97 3.18 0.00 5.84 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 6.87 3.35 0.00 1.83 1.81 0.00 1.47 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.27 1.16 7.81 99 I 8.12 4.37 2.11 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 1.53 1.00 1.14 0.00 0.00 100 P 0.00 4.56 0.00 1.93 2.05 0.00 3.07 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 0.79 1.53 0.00 101 I 8.12 3.67 1.80 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.10 0.81 0.00 0.00 102 K 7.99 3.75 0.00 1.70 1.63 0.00 1.21 0.00 0.00 1.73 0.00 0.00 3.07 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.40 0.54 7.81 103 Y 7.89 4.12 0.00 3.18 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 L 7.87 4.20 0.00 1.81 1.78 0.67 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.12 4.01 0.00 2.09 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 2.33 2.44 0.00 106 F 7.95 4.65 0.00 3.18 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 0.00 107 I 8.16 3.92 2.02 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 1.10 0.00 0.00 108 S 8.04 4.21 0.00 4.23 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 0.00 109 E 8.47 4.03 0.00 2.18 2.38 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 2.38 2.41 0.00 110 A 8.07 4.08 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 0.00 111 I 8.12 3.73 2.12 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 1.62 0.71 1.04 0.00 0.00 112 I 8.02 3.86 2.12 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.04 1.13 0.00 0.00 113 H 8.43 4.14 0.00 3.41 3.49 0.00 5.78 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 0.00 114 V 7.86 3.57 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 1.01 0.00 0.00 1.01 0.00 0.00 115 L 7.92 3.80 0.00 0.51 0.61 0.77 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 116 H 7.87 4.32 0.00 3.47 3.62 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.87 4.18 0.00 3.81 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 0.00 118 R 8.02 4.06 0.00 1.63 1.52 0.00 2.83 0.00 0.00 3.00 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.49 0.00 119 H 8.21 5.03 0.00 3.21 3.20 0.00 5.62 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.36 0.00 2.21 2.26 0.00 3.74 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.93 0.00 121 G 8.12 3.65 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 0.00 0.00 0.00 122 N 8.18 4.93 0.00 2.82 2.97 0.00 0.00 6.69 7.61 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 0.00 123 F 7.77 5.02 0.00 2.92 3.02 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 0.00 0.00 0.00 124 G 7.66 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 0.00 0.00 0.00 125 A 8.40 3.88 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 0.00 126 D 7.96 4.20 0.00 2.65 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 0.00 127 A 7.75 3.97 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 0.00 128 Q 7.82 3.13 0.00 1.16 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.22 2.23 0.00 129 G 8.12 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 A 7.95 3.84 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 M 8.18 3.96 0.00 2.37 2.36 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.91 0.00 132 N 8.59 4.31 0.00 2.88 2.95 0.00 0.00 6.88 6.56 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 0.00 133 K 8.25 3.84 0.00 1.95 1.70 0.00 1.61 0.00 0.00 1.54 0.00 0.00 3.17 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.30 1.38 7.81 134 A 8.05 3.83 1.22 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 0.00 0.00 135 L 8.18 4.12 0.00 1.78 1.83 1.00 0.74 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 0.00 136 E 8.57 3.96 0.00 2.18 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 2.34 2.59 0.00 137 L 8.20 3.94 0.00 1.86 1.99 1.08 1.27 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 0.00 138 F 8.41 4.17 0.00 3.07 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 0.00 139 R 8.21 3.42 0.00 1.98 1.83 0.00 3.16 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.81 0.00 140 K 8.23 3.82 0.00 1.76 1.97 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.44 7.81 141 D 8.11 4.33 0.00 2.89 2.70 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 0.00 142 I 7.69 3.43 1.25 0.00 0.00 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 0.94 -0.21 0.07 0.00 0.00 143 A 7.88 3.72 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 0.00 144 A 7.94 3.97 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 0.00 145 K 7.91 4.02 0.00 2.08 1.93 0.00 1.58 0.00 0.00 1.69 0.00 0.00 3.15 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.54 7.81 146 Y 8.46 4.40 0.00 3.21 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 0.00 147 K 8.19 3.95 0.00 2.08 1.88 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.49 7.81 148 E 7.97 4.06 0.00 2.22 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 2.36 2.48 0.00 149 L 7.84 4.34 0.00 1.82 1.71 0.98 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 150 G 8.09 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 0.00 151 Y 8.13 4.43 0.00 2.50 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 0.00 152 Q 7.72 3.12 0.00 2.08 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.63 0.00 0.00 0.00 0.00 0.00 2.27 2.25 0.00 153 G 7.60 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 0.00 0.00 0.00