NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4089 8.1633 120.3497 55.6818 34.0470 174.1080 2 N 4.5064 7.9099 119.6435 50.4386 37.5740 172.1748 3 R 4.7728 8.7044 118.9306 55.5868 32.0007 178.6675 4 G 3.6948 6.9660 103.7788 46.9368 0.0000 176.6124 5 A 4.0123 7.9670 122.7266 54.5494 18.3858 179.3960 6 L 3.9135 7.8275 116.5986 58.2651 42.4551 178.3652 7 I 3.7897 7.9290 119.9015 64.7898 36.9099 177.9027 8 K 4.0216 7.6705 119.9187 59.0936 31.7219 178.5101 9 L 4.1799 8.1049 119.0338 57.5778 41.2123 178.9520 10 V 3.5950 7.9225 118.1887 66.0799 31.1779 177.3205 11 E 4.2710 8.2178 117.2839 59.0848 30.4020 177.9248 12 S 4.6204 7.5368 114.5602 58.4423 60.1062 173.7846 13 R 4.4683 8.2474 117.6105 55.9774 31.0098 177.5197 14 Y 4.4315 8.1745 115.3539 58.3927 37.6778 175.9498 15 V 3.4494 7.0480 113.7142 61.2323 32.0482 175.5293 16 R 4.6759 8.0326 122.2805 55.4257 31.4944 174.3801 17 T 4.7654 8.0452 108.8703 63.0549 73.2327 175.0650 18 D 4.5763 8.1912 120.0951 55.7685 39.6063 176.7521 19 L 4.1332 7.0910 120.1710 54.0691 42.0301 175.7621 20 P 4.5257 0.0000 0.0000 62.5261 32.2883 175.6760 21 E 4.8259 8.5466 120.7063 56.1691 30.7932 175.7148 22 F 4.7163 8.5920 115.6350 57.0276 40.3653 172.7836 23 R 4.3491 8.7857 116.1490 53.5963 32.1195 172.4481 24 P 4.4231 0.0000 0.0000 64.2906 31.2324 174.3902 25 G 3.9867 8.4616 115.8299 45.8837 0.0000 174.0650 26 D 4.8342 8.0900 120.9725 52.8781 41.2621 175.3626 27 T 5.0129 8.2149 111.0063 61.1254 70.8535 173.9917 28 V 4.6611 8.8478 123.0540 60.5614 35.1010 172.7509 29 R 4.8732 8.3586 123.1412 55.1797 31.8715 175.0823 30 V 4.5222 9.2720 126.7546 59.9580 34.3776 174.7934 31 S 5.5853 8.8422 121.3280 57.3477 63.3823 172.5716 32 Y 4.9808 8.6658 126.1976 55.7853 41.6701 175.0351 33 K 4.4723 7.9196 124.7241 55.3279 32.5070 176.1132 34 V 4.1582 7.9644 125.3891 61.5879 33.5225 176.2419 35 K 4.0288 8.9478 126.0245 57.2136 32.5181 173.4334 36 E 3.6400 8.1188 124.7358 57.9303 29.5680 176.3213 37 G 3.6553 9.3741 108.2998 47.6521 0.0000 171.5102 38 N 4.3120 8.0292 125.7752 55.1748 39.5218 176.3779 39 R 4.2725 7.4911 116.8270 56.5914 29.7519 175.5488 40 T 5.0676 8.0528 113.2365 62.9954 71.7728 173.6421 41 R 4.5128 8.5022 127.1152 54.9487 33.0997 176.7170 42 I 5.3189 7.8594 118.6458 60.3738 38.3380 175.5087 43 Q 4.0856 8.3387 122.5855 56.0218 30.9436 175.2699 44 D 5.7684 8.6623 121.5091 52.7365 45.3313 174.6063 45 F 4.9169 8.6633 120.4319 57.1595 43.2371 172.7648 46 E 4.7130 8.1260 126.4077 55.3426 31.9620 173.7442 47 G 4.1632 8.4534 114.7542 45.6539 0.0000 170.0278 48 I 4.6141 8.3951 121.1838 60.1903 38.8191 176.0782 49 V 4.2103 8.5853 127.1564 62.3064 31.3000 176.6749 50 I 3.8644 9.3986 128.0470 63.0749 39.2271 175.3621 51 R 4.3232 7.0894 119.1609 55.8329 34.1840 173.2563 52 I 5.2007 8.4083 124.3306 59.4934 41.1391 174.7001 53 R 4.5599 9.2418 123.8681 54.3055 31.1473 175.7585 54 R 4.2097 8.7179 123.1802 54.8308 30.9814 176.5461 55 N 5.2200 8.7066 129.9103 55.7394 43.1004 176.0563 56 G 3.9214 7.8778 115.0212 46.6367 0.0000 175.9892 57 F 4.6077 9.4047 131.0278 59.9711 41.1042 174.2105 58 N 3.9932 5.7700 112.9668 53.2994 35.9265 173.5889 59 T 4.7620 7.5301 118.0815 63.6869 71.6293 175.4464 60 T 5.3576 8.4285 112.7320 60.4499 72.9780 172.4489 61 F 5.5732 8.8799 116.6739 55.3740 42.0250 173.5665 62 T 5.0354 9.3725 110.0580 59.9094 72.1216 172.7026 63 V 5.0557 8.7665 123.9538 61.3298 34.5315 174.3313 64 R 5.3800 8.6503 128.1140 54.8548 33.0177 174.7013 65 K 4.5209 8.2389 119.4704 56.5409 36.1166 175.2636 66 V 3.9071 8.4795 122.3831 62.3571 32.9093 174.9773 67 S 4.9941 8.5478 116.3936 58.9198 65.9014 176.2142 68 Y 3.4837 9.0429 128.1095 59.2490 34.7308 172.3285 69 G 4.0132 8.0084 104.0915 45.8511 0.0000 172.3138 70 V 4.4151 7.7241 120.0275 60.6399 33.8626 175.0156 71 G 3.9151 8.5010 115.4647 45.4677 0.0000 172.9178 72 V 4.6401 8.8833 121.2835 61.0830 35.6360 173.7288 73 E 5.2767 8.8132 125.1030 54.7005 32.6554 174.8726 74 R 4.2156 8.6154 124.6693 54.1673 33.3745 174.2530 75 I 4.3613 7.3777 124.8010 59.4028 39.3076 174.8825 76 F 4.8994 8.0188 125.1382 54.8765 43.1069 172.9807 77 P 4.8691 0.0000 0.0000 61.4746 31.6341 177.0185 78 L 4.5584 8.6951 124.9494 57.1295 42.1426 176.6068 79 H 5.1551 8.3602 114.6465 55.7614 30.0336 173.2068 80 S 4.7848 8.1804 113.7839 56.2482 63.6306 172.6201 81 P 4.3976 0.0000 0.0000 64.4230 31.4167 176.7279 82 L 4.1735 7.3410 116.3567 54.7709 42.4932 175.9985 83 I 4.2794 7.4963 119.9636 60.6907 36.1594 176.0139 84 Q 4.1890 9.1632 129.5019 58.2431 29.1389 176.2466 85 K 4.5698 7.5483 115.1562 56.3878 36.6277 173.6584 86 I 4.5670 7.7936 117.8934 60.3467 40.1144 172.8136 87 D 5.0534 8.2116 128.7959 51.0569 41.8965 175.8289 88 I 3.8569 8.3060 115.7749 60.7707 38.5618 175.9189 89 V 4.4146 9.1481 115.6151 59.1557 32.7439 174.6086 90 Q 5.1705 7.1913 122.4847 55.0445 30.6240 171.7911 91 R 4.7586 8.1115 122.9335 54.3917 33.0195 175.1813 92 G 4.3394 8.6660 109.5448 44.5592 0.0000 173.5262 93 R 4.1128 8.5369 122.5206 55.3454 28.5017 176.3332 94 A 3.5407 8.7036 123.4201 53.1348 17.9815 178.1808 95 R 4.0624 9.6090 114.2618 54.0081 29.3531 174.9799 96 R 4.3260 7.5210 111.7677 55.2176 33.1427 172.4166 97 A 3.7684 9.1039 126.8801 55.6797 17.8764 177.9180 98 K 3.9674 8.6480 115.0026 54.9830 33.8977 177.9731 99 L 5.1809 7.7915 123.9680 54.2138 40.1355 177.1567 100 Y 4.2894 7.8345 118.0594 60.4836 38.1275 177.4068 101 F 4.3472 8.7105 116.1433 59.3470 37.8222 176.4475 102 I 3.3942 6.5916 111.4369 62.1777 37.4028 177.6852 103 R 4.1313 8.0611 119.9556 58.1835 29.8290 176.7362 104 N 5.0876 7.3046 114.7101 52.5679 39.2616 175.4019 105 L 5.2117 7.7065 117.7061 55.6499 40.6595 177.3397 106 S 4.4017 8.4503 111.9616 60.8872 63.9725 175.6783 107 D 5.0582 8.4743 128.5565 53.1540 38.5465 180.0089 108 R 4.3069 8.6258 115.8878 57.3810 30.3983 177.3298 109 E 4.2052 8.8076 117.8696 58.4525 29.7016 178.6466 110 I 3.8405 7.6951 119.2763 64.7512 38.2546 176.1133 111 R 4.4734 7.7485 115.2097 56.7941 32.1418 177.0786 112 R 3.8010 8.5835 114.9547 58.5253 30.0235 177.4028 113 K 4.0731 10.7800 117.5713 58.9465 32.9394 177.6747 114 L 4.4417 7.6438 119.0965 52.8753 40.5461 176.5294 115 R 4.1376 7.6614 120.7722 56.4584 31.7088 176.3613 116 A 4.4504 8.6059 124.5229 52.4944 19.3015 177.2601 117 D 4.6736 8.4016 119.8018 51.9086 39.9786 175.8572 118 R 3.9655 8.6902 122.0312 59.4193 30.5098 178.9723 119 K 4.0338 7.6661 116.9935 60.0001 32.7726 177.9351 120 R 4.0983 7.9177 116.2852 57.5980 30.6823 178.1420 121 I 4.0012 8.3069 120.2403 64.0856 37.3845 177.6692 122 D 4.7115 7.4807 117.9506 56.0878 41.6488 177.3233 123 Q 4.5393 7.0697 120.9717 53.7259 27.5363 178.8301 124 D 3.8815 8.9108 122.5464 55.7298 41.0351 175.0054 125 R 3.9770 8.1831 121.0892 60.0886 30.4490 177.0197 126 A 3.6591 8.0311 119.1637 55.4021 18.3829 179.1376 127 A 4.0721 7.7073 117.2103 54.0512 18.6797 178.2749 128 E 4.4113 8.9739 117.9561 56.4815 30.2622 176.8985 129 R 4.3619 7.3740 116.0824 56.0459 30.1585 176.5104 130 A 4.5594 7.8974 120.0903 51.8843 20.9090 177.2857 131 A 4.5788 7.4323 116.4676 51.8871 19.1145 177.0634 132 K 4.3268 7.8716 118.4094 58.7420 33.2888 178.5681 133 E 4.1200 8.0804 116.1190 58.5382 29.6687 176.8762 134 E 4.1611 7.4083 120.0049 56.3798 30.5695 176.1662 135 A 3.9546 8.5377 128.1983 52.3220 18.0706 179.6555 136 Q 4.1747 7.9189 113.1577 57.0832 28.9723 176.7092 137 K 4.1513 7.7990 122.8704 57.0782 32.5074 176.7101 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 8.16 4.41 0.00 2.11 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 2.57 2.64 0.00 2 N 7.91 4.51 0.00 2.83 2.82 0.00 0.00 6.77 6.78 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 3 R 8.70 4.77 0.00 1.96 2.09 0.00 2.99 0.00 0.00 3.35 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.44 0.00 4 G 6.97 3.69 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 5 A 7.97 4.01 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 6 L 7.83 3.91 0.00 1.64 1.81 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 7 I 7.93 3.79 2.04 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 1.56 0.82 0.93 0.00 0.00 8 K 7.67 4.02 0.00 1.95 2.08 0.00 1.67 0.00 0.00 1.57 0.00 0.00 3.09 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.39 7.81 9 L 8.10 4.18 0.00 1.95 1.72 0.94 0.71 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 10 V 7.92 3.60 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 0.84 0.00 0.00 1.05 0.00 0.00 11 E 8.22 4.27 0.00 2.15 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 2.46 2.57 0.00 12 S 7.54 4.62 0.00 4.11 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 13 R 8.25 4.47 0.00 1.84 2.08 0.00 2.80 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.15 0.00 14 Y 8.17 4.43 0.00 2.64 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 15 V 7.05 3.45 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 0.84 0.00 0.00 16 R 8.03 4.68 0.00 1.88 1.98 0.00 3.35 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.62 0.00 17 T 8.05 4.77 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 1.21 0.00 0.00 18 D 8.19 4.58 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 19 L 7.09 4.13 0.00 1.74 1.59 1.06 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.53 0.00 1.72 1.91 0.00 3.49 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 2.14 2.04 0.00 21 E 8.55 4.83 0.00 1.92 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 2.35 2.35 0.00 22 F 8.59 4.72 0.00 3.24 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 R 8.79 4.35 0.00 1.94 1.91 0.00 2.79 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 24 P 0.00 4.42 0.00 2.30 2.10 0.00 3.66 0.00 0.00 3.56 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 25 G 8.46 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 26 D 8.09 4.83 0.00 3.07 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 27 T 8.21 5.01 4.26 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 1.22 0.00 0.00 28 V 8.85 4.66 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 0.78 0.00 0.00 0.77 0.00 0.00 29 R 8.36 4.87 0.00 1.95 1.81 0.00 3.27 0.00 0.00 3.35 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.75 0.00 30 V 9.27 4.52 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 0.51 0.00 0.00 0.69 0.00 0.00 31 S 8.84 5.59 0.00 3.88 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 32 Y 8.67 4.98 0.00 3.13 2.89 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 33 K 7.92 4.47 0.00 1.51 1.71 0.00 1.79 0.00 0.00 1.58 0.00 0.00 2.86 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.36 1.49 7.81 34 V 7.96 4.16 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 1.02 0.00 0.00 1.12 0.00 0.00 35 K 8.95 4.03 0.00 1.83 1.79 0.00 1.80 0.00 0.00 1.84 0.00 0.00 2.94 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.54 1.55 7.81 36 E 8.12 3.64 0.00 2.12 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 2.26 0.00 37 G 9.37 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 N 8.03 4.31 0.00 2.86 2.88 0.00 0.00 7.22 7.65 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 39 R 7.49 4.27 0.00 1.81 1.88 0.00 3.29 0.00 0.00 3.23 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 40 T 8.05 5.07 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 1.27 0.00 0.00 41 R 8.50 4.51 0.00 1.83 1.92 0.00 3.10 0.00 0.00 3.20 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 42 I 7.86 5.32 1.90 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 1.22 1.07 0.92 0.00 0.00 43 Q 8.34 4.09 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.52 6.66 0.00 0.00 0.00 0.00 0.00 2.58 2.55 0.00 44 D 8.66 5.77 0.00 2.69 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 F 8.66 4.92 0.00 3.25 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 46 E 8.13 4.71 0.00 1.91 1.66 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 2.12 2.27 0.00 47 G 8.45 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 0.00 0.00 0.00 48 I 8.40 4.61 1.88 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 1.29 0.60 0.95 0.00 0.00 49 V 8.59 4.21 2.31 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 0.80 0.00 0.00 1.09 0.00 0.00 50 I 9.40 3.86 1.88 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.05 0.88 0.00 0.00 51 R 7.09 4.32 0.00 1.53 1.51 0.00 3.24 0.00 0.00 3.18 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.43 0.00 52 I 8.41 5.20 1.79 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.72 0.87 0.00 0.00 53 R 9.24 4.56 0.00 1.81 2.07 0.00 2.78 0.00 0.00 3.16 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.58 0.00 54 R 8.72 4.21 0.00 1.73 1.92 0.00 3.33 0.00 0.00 3.15 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 55 N 8.71 5.22 0.00 2.74 2.77 0.00 0.00 7.28 8.12 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 56 G 7.88 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 57 F 9.40 4.61 0.00 3.01 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 58 N 5.77 3.99 0.00 2.63 2.41 0.00 0.00 5.83 7.71 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 59 T 7.53 4.76 4.33 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 1.38 0.00 0.00 60 T 8.43 5.36 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 61 F 8.88 5.57 0.00 3.20 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 62 T 9.37 5.04 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 63 V 8.77 5.06 2.62 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 1.33 0.00 0.00 1.50 0.00 0.00 64 R 8.65 5.38 0.00 1.95 1.77 0.00 3.38 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.74 0.00 65 K 8.24 4.52 0.00 1.73 1.73 0.00 1.01 0.00 0.00 1.42 0.00 0.00 2.51 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.66 1.48 7.81 66 V 8.48 3.91 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 0.77 0.00 0.00 0.91 0.00 0.00 67 S 8.55 4.99 0.00 4.01 3.96 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 68 Y 9.04 3.48 0.00 3.13 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 69 G 8.01 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 70 V 7.72 4.42 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 1.00 0.00 0.00 1.02 0.00 0.00 71 G 8.50 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 72 V 8.88 4.64 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 1.02 0.00 0.00 73 E 8.81 5.28 0.00 1.80 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 2.23 2.27 0.00 74 R 8.62 4.22 0.00 0.83 0.66 0.00 2.35 0.00 0.00 2.53 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.80 0.00 75 I 7.38 4.36 1.55 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.52 0.71 0.00 0.00 76 F 8.02 4.90 0.00 2.42 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 77 P 0.00 4.87 0.00 2.32 2.03 0.00 3.89 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 2.20 2.10 0.00 78 L 8.70 4.56 0.00 1.81 1.64 0.97 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 79 H 8.36 5.16 0.00 3.57 3.40 0.00 5.89 0.00 0.00 0.00 0.00 8.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.18 4.78 0.00 4.01 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 81 P 0.00 4.40 0.00 2.10 2.13 0.00 3.77 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.22 0.00 82 L 7.34 4.17 0.00 1.03 1.02 0.87 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 83 I 7.50 4.28 2.05 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 1.32 0.62 0.94 0.00 0.00 84 Q 9.16 4.19 0.00 2.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.62 0.00 0.00 0.00 0.00 0.00 2.36 2.30 0.00 85 K 7.55 4.57 0.00 1.78 1.84 0.00 1.57 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.37 1.40 7.81 86 I 7.79 4.57 1.73 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.48 0.72 0.00 0.00 87 D 8.21 5.05 0.00 2.79 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 88 I 8.31 3.86 1.85 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 1.32 0.43 0.82 0.00 0.00 89 V 9.15 4.41 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 0.67 0.00 0.00 0.94 0.00 0.00 90 Q 7.19 5.17 0.00 2.23 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.73 6.87 0.00 0.00 0.00 0.00 0.00 2.21 2.17 0.00 91 R 8.11 4.76 0.00 1.75 1.80 0.00 3.32 0.00 0.00 3.50 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.55 0.00 92 G 8.67 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 0.00 0.00 0.00 0.00 93 R 8.54 4.11 0.00 1.84 1.90 0.00 3.36 0.00 0.00 3.24 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 94 A 8.70 3.54 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 R 9.61 4.06 0.00 1.91 2.27 0.00 3.31 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.56 0.00 96 R 7.52 4.33 0.00 1.74 1.78 0.00 3.26 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.45 0.00 97 A 9.10 3.77 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 98 K 8.65 3.97 0.00 1.83 1.61 0.00 1.56 0.00 0.00 1.79 0.00 0.00 3.20 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.57 1.36 7.81 99 L 7.79 5.18 0.00 2.14 2.08 0.83 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 0.00 100 Y 7.83 4.29 0.00 3.08 3.08 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 0.00 0.00 0.00 101 F 8.71 4.35 0.00 3.32 3.41 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 0.00 102 I 6.59 3.39 1.59 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 1.38 0.43 -0.12 0.00 0.00 103 R 8.06 4.13 0.00 1.91 2.05 0.00 3.39 0.00 0.00 3.27 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 104 N 7.30 5.09 0.00 2.70 2.80 0.00 0.00 6.75 7.73 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 0.00 105 L 7.71 5.21 0.00 1.93 1.84 1.05 0.97 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 0.00 106 S 8.45 4.40 0.00 3.87 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 0.00 107 D 8.47 5.06 0.00 2.78 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 0.00 0.00 0.00 108 R 8.63 4.31 0.00 1.87 2.01 0.00 3.12 0.00 0.00 3.34 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 109 E 8.81 4.21 0.00 2.06 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 2.48 2.48 0.00 110 I 7.70 3.84 2.05 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.19 0.94 0.00 0.00 111 R 7.75 4.47 0.00 2.16 2.09 0.00 2.98 0.00 0.00 3.21 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.85 0.00 112 R 8.58 3.80 0.00 2.09 2.16 0.00 3.05 0.00 0.00 3.18 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.76 0.00 113 K 10.78 4.07 0.00 2.28 2.09 0.00 1.73 0.00 0.00 1.78 0.00 0.00 3.16 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.69 1.61 7.81 114 L 7.64 4.44 0.00 1.88 1.65 0.96 0.91 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 0.00 115 R 7.66 4.14 0.00 1.95 1.84 0.00 3.30 0.00 0.00 3.42 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.74 0.00 116 A 8.61 4.45 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 0.00 117 D 8.40 4.67 0.00 2.77 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 0.00 118 R 8.69 3.97 0.00 1.88 2.12 0.00 3.38 0.00 0.00 3.47 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.61 0.00 119 K 7.67 4.03 0.00 1.79 1.95 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.53 7.81 120 R 7.92 4.10 0.00 1.88 1.97 0.00 3.22 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.60 0.00 121 I 8.31 4.00 1.98 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 1.30 1.45 0.91 0.00 0.00 122 D 7.48 4.71 0.00 2.83 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 Q 7.07 4.54 0.00 2.28 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 5.97 0.00 0.00 0.00 0.00 0.00 2.34 2.47 0.00 124 D 8.91 3.88 0.00 2.85 2.49 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 0.00 125 R 8.18 3.98 0.00 1.86 1.86 0.00 3.24 0.00 0.00 3.30 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.59 0.00 126 A 8.03 3.66 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 A 7.71 4.07 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 0.00 128 E 8.97 4.41 0.00 1.92 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 0.00 2.21 2.46 0.00 129 R 7.37 4.36 0.00 1.79 1.93 0.00 3.15 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.56 0.00 130 A 7.90 4.56 1.30 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 0.00 0.00 0.00 131 A 7.43 4.58 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 0.00 132 K 7.87 4.33 0.00 1.98 1.78 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.43 7.81 133 E 8.08 4.12 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 134 E 7.41 4.16 0.00 2.26 1.83 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 2.29 2.39 0.00 135 A 8.54 3.95 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 0.00 136 Q 7.92 4.17 0.00 2.05 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.02 0.00 0.00 0.00 0.00 0.00 2.36 2.58 0.00 137 K 7.80 4.15 0.00 1.88 1.80 0.00 1.63 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.38 7.81