NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4053 8.2893 118.1934 54.3478 32.5571 176.4730 2 T 4.0513 7.5677 106.0548 61.6866 70.5618 170.5287 3 E 4.4969 9.0942 129.0637 55.9794 31.3215 175.3186 4 A 4.7395 7.7887 121.4050 50.1093 21.6863 177.6262 5 D 4.5572 8.1768 115.2189 53.1935 39.4907 176.5860 6 V 3.9165 7.4987 117.0861 60.5691 32.1436 175.1783 7 N 4.8788 8.1992 117.6218 51.3627 39.7168 174.8445 8 P 4.1916 0.0000 0.0000 63.7015 31.6834 176.9734 9 K 4.1891 8.0273 118.7810 56.9935 31.4161 174.5617 10 A 3.5924 7.3320 116.6544 52.6321 15.6248 176.8282 11 Y 4.8488 7.7921 118.0203 54.4245 41.3713 174.2099 12 P 4.4288 0.0000 0.0000 62.7405 33.1098 174.5825 13 L 4.8286 7.0772 120.6559 53.0804 44.9776 174.9631 14 A 4.8047 7.7201 126.9634 49.7296 21.1770 176.4915 15 D 4.4678 8.6689 121.1204 53.0471 39.9833 177.3037 16 A 4.2404 8.3230 121.5419 54.8584 18.4112 179.3436 17 H 4.2296 8.1774 114.4495 59.0730 29.0550 177.3394 18 L 3.9836 8.6447 122.7470 58.6223 41.6811 179.2272 19 T 3.9763 7.9820 109.5487 64.4315 68.1781 176.8896 20 K 3.9616 7.9379 121.6169 59.2429 31.9461 179.4330 21 K 4.0248 7.9267 117.1549 59.9293 32.9084 178.3969 22 L 4.1142 8.0848 121.5777 57.7021 41.9923 178.7083 23 L 3.9889 8.3496 119.5106 58.0951 41.5956 178.9702 24 D 4.3274 7.8121 116.7884 57.3161 40.7771 178.1170 25 L 3.8270 7.6483 120.1795 57.7869 42.3216 179.0316 26 V 3.6497 7.7761 118.3268 66.0967 31.3831 177.8127 27 Q 4.1176 8.0332 118.7836 59.3933 28.8609 178.1121 28 Q 4.1132 8.2895 119.0931 58.7719 28.5951 178.9046 29 S 4.0899 7.8213 116.1743 61.9854 62.9230 176.3904 30 C 4.4078 7.6292 119.1126 62.3885 27.5929 176.0624 31 N 4.4797 7.8537 116.7021 55.5628 37.7745 174.8428 32 Y 4.2896 8.3168 121.3283 57.0881 38.9171 175.6169 33 K 4.5408 8.0435 114.3715 56.6600 30.4317 175.1733 34 Q 4.6348 7.4131 116.6327 54.1256 32.1299 174.5280 35 L 4.4043 8.2134 119.4635 55.4960 42.6990 173.9527 36 R 4.6928 7.9927 117.6212 55.2979 34.6832 174.8242 37 K 4.8291 8.3057 122.6114 54.5591 33.3143 174.1815 38 G 3.9958 8.7721 110.7465 45.3642 0.0000 171.5677 39 A 4.0739 9.1026 127.5734 55.3437 19.1203 179.2702 40 N 4.4089 8.0874 115.0887 56.7931 39.0193 176.7029 41 E 4.1096 8.1784 119.3449 58.8881 29.5919 178.6454 42 A 4.0184 8.2356 121.3923 55.2448 18.3786 179.6637 43 T 3.8654 7.6086 107.4429 64.6612 68.5833 176.9060 44 K 4.0586 8.2563 122.1599 59.2219 32.0901 179.0989 45 T 3.8514 7.9057 109.7125 64.9729 68.6010 176.0225 46 L 4.0066 7.7432 123.2750 57.7511 41.9534 178.5999 47 N 4.4243 7.8793 114.9767 55.9476 38.4840 176.9347 48 R 4.1236 8.1527 119.8051 56.9332 30.6082 176.3126 49 G 3.9205 9.0242 105.9290 45.8367 0.0000 174.1051 50 I 4.5888 7.7671 107.5784 60.7071 38.9176 174.7523 51 S 4.6794 8.0596 117.0886 57.8070 60.7841 172.6009 52 E 4.5571 8.5314 125.4960 56.0743 31.4274 176.5481 53 F 4.6874 7.8432 116.8481 55.5655 42.5471 174.5343 54 I 5.0185 8.0205 122.6535 59.9436 41.7597 173.8515 55 V 4.9971 9.2861 127.3350 61.2554 34.4150 174.1564 56 M 5.4058 8.8535 123.6209 53.4324 35.3762 174.0255 57 A 4.6604 8.3486 120.6532 51.2133 19.4998 178.7781 58 A 3.4336 8.1749 125.9422 54.3655 18.5776 177.6126 59 D 4.8171 7.8381 114.4056 53.7654 41.9381 174.9087 60 A 4.5873 7.9171 120.5278 50.3850 20.1702 177.4180 61 E 4.9255 8.3486 121.4508 53.2244 33.3827 174.0424 62 P 4.4368 0.0000 0.0000 62.7970 32.2695 177.6644 63 L 4.1106 8.5448 121.9881 57.4371 41.4775 179.0875 64 E 3.9728 8.2760 116.6367 59.6206 29.5634 178.7941 65 I 4.0216 7.4284 119.4829 63.6436 37.1361 178.1629 66 I 3.8608 7.7410 119.9744 63.5448 36.9802 177.4034 67 L 4.3652 7.7204 117.3631 55.7879 42.1024 177.6004 68 H 4.3448 7.8351 117.9047 58.7524 29.8255 176.4836 69 L 4.1681 8.0215 120.1621 56.2034 41.6841 175.5950 70 P 4.3393 0.0000 0.0000 62.7900 31.8520 175.9085 71 L 4.1004 8.5911 123.8587 56.9068 41.4763 176.6637 72 L 4.4820 6.6832 114.7287 54.0307 44.7324 178.4581 73 C 4.7210 7.2438 111.6995 57.9664 32.6292 173.9058 74 E 4.0427 8.7116 116.5134 59.8730 28.9134 178.6079 75 D 4.3743 8.1631 117.6972 56.6777 41.3028 176.3461 76 K 4.2313 8.2862 118.6597 55.6311 31.8792 174.0716 77 N 4.1306 8.5811 119.9090 53.2526 35.2031 173.4195 78 V 4.3408 7.5831 120.3234 60.4951 32.4950 171.8053 79 P 4.4866 0.0000 0.0000 62.5471 32.2191 175.5097 80 Y 4.6945 7.5628 115.8727 56.6373 40.2888 173.2456 81 V 4.0811 7.7087 120.7512 61.5815 35.4339 173.1770 82 F 5.8532 7.8706 126.9988 56.0305 40.1694 175.2616 83 V 4.6271 8.2806 114.0631 58.9297 35.8145 175.9564 84 R 4.4354 8.2282 125.2315 54.7959 29.5837 177.3212 85 S 4.4537 7.4399 107.2034 56.7594 65.5911 176.3254 86 K 4.3223 8.3884 125.5678 58.8977 33.6309 178.4038 87 Q 4.0037 8.1291 118.4596 58.7455 28.4941 178.8414 88 A 4.1157 7.9017 121.2668 54.9227 18.5544 179.2688 89 L 4.0463 7.8941 118.4186 57.9515 42.1998 179.2589 90 G 4.1063 8.5526 107.7129 46.8296 0.0000 175.7346 91 R 4.1429 7.7333 116.8115 58.2568 29.6269 178.8184 92 A 4.0919 8.0226 121.4412 55.2295 18.5207 179.1591 93 C 4.2596 7.7037 111.6762 59.5148 30.6447 174.2740 94 G 4.1353 8.5630 108.3543 45.4487 0.0000 173.3859 95 V 4.4263 7.5912 115.6298 61.3518 35.6679 174.4413 96 S 4.5021 8.3378 120.5082 56.6206 61.8561 173.1776 97 R 4.3236 6.9390 118.8706 55.0332 33.7312 172.7114 98 P 4.4385 0.0000 0.0000 62.5154 31.3163 176.8284 99 V 3.8798 8.1788 123.3368 61.5283 32.4127 176.1359 100 I 3.9708 8.3422 122.5755 63.2060 37.9156 175.5744 101 A 4.8912 7.7335 122.5763 50.5760 22.0836 174.1069 102 C 5.3752 9.2139 117.4427 56.8656 33.3517 173.0966 103 S 5.0776 8.5210 112.9342 57.0898 65.9092 173.3587 104 V 4.5050 8.6693 121.2341 61.2610 33.7052 174.5599 105 T 4.6375 8.5684 118.6672 61.3124 69.8279 174.0092 106 I 4.1800 7.7202 124.5829 59.9068 39.2558 174.6162 107 K 4.5431 8.2639 129.0083 54.3594 33.9339 175.3974 108 E 4.0822 8.7409 126.6283 56.9637 30.5429 176.2613 109 G 4.0630 8.6377 112.8096 47.0557 0.0000 173.1701 110 S 4.9196 7.4847 111.4597 55.6601 66.2226 175.2208 111 Q 4.0499 8.7134 120.1800 59.2633 28.8515 178.6576 112 L 3.8548 7.6892 118.4502 57.2343 41.4798 178.8402 113 K 3.7644 7.6044 119.3085 59.7376 30.4236 178.4054 114 Q 4.1324 7.9018 119.4731 58.7182 28.7682 178.2379 115 Q 4.0818 7.6388 118.2289 58.4172 29.4594 177.8384 116 I 3.5407 7.9043 121.1320 64.4674 36.8266 178.3214 117 Q 3.9846 8.3485 120.0754 58.8943 29.1024 178.0232 118 S 4.2052 7.4353 112.9618 61.5094 62.5865 176.0765 119 I 3.8663 7.9758 121.2919 63.7260 37.6576 177.4107 120 Q 4.0858 8.4013 120.9854 59.4491 28.8975 178.1878 121 Q 3.9695 7.7745 118.8541 59.1604 28.5150 178.5088 122 S 4.0569 8.0776 114.3066 61.3195 62.3478 176.2466 123 I 3.3662 7.5291 122.3579 64.2195 36.8589 177.7939 124 E 3.7628 8.0245 119.6147 59.6165 29.1514 178.7847 125 R 3.9007 7.7084 116.4669 59.2289 30.1452 178.3151 126 L 4.2585 7.0269 116.8610 56.3715 42.0042 178.7989 127 L 3.9180 7.6260 118.7818 57.2712 41.7154 177.3085 128 V 3.9516 7.4353 121.1863 62.8537 31.5117 175.0343 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 4.41 0.00 2.14 2.21 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.53 0.00 2 T 7.57 4.05 4.22 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 1.20 0.00 0.00 3 E 9.09 4.50 0.00 1.89 1.88 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 2.18 2.30 0.00 4 A 7.79 4.74 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 D 8.18 4.56 0.00 2.62 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 6 V 7.50 3.92 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 0.69 0.00 0.00 0.89 0.00 0.00 7 N 8.20 4.88 0.00 2.72 2.70 0.00 0.00 6.57 8.02 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 8 P 0.00 4.19 0.00 2.29 2.34 0.00 3.83 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 2.07 1.96 0.00 9 K 8.03 4.19 0.00 2.00 1.90 0.00 1.87 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.47 7.81 10 A 7.33 3.59 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 Y 7.79 4.85 0.00 3.09 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 P 0.00 4.43 0.00 1.93 2.15 0.00 3.70 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.94 0.00 13 L 7.08 4.83 0.00 1.10 0.81 1.00 1.01 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 14 A 7.72 4.80 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 15 D 8.67 4.47 0.00 2.86 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 16 A 8.32 4.24 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 17 H 8.18 4.23 0.00 3.43 3.34 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 L 8.64 3.98 0.00 1.96 1.67 0.92 0.65 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 19 T 7.98 3.98 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 1.32 0.00 0.00 20 K 7.94 3.96 0.00 2.14 1.90 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.51 7.81 21 K 7.93 4.02 0.00 1.91 1.96 0.00 1.59 0.00 0.00 1.64 0.00 0.00 3.14 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.63 1.56 7.81 22 L 8.08 4.11 0.00 1.96 1.91 1.13 0.52 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 23 L 8.35 3.99 0.00 2.06 1.72 0.97 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 24 D 7.81 4.33 0.00 2.73 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 25 L 7.65 3.83 0.00 1.76 1.46 0.53 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 26 V 7.78 3.65 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.98 0.00 0.00 27 Q 8.03 4.12 0.00 2.15 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.67 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 28 Q 8.29 4.11 0.00 2.21 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.56 0.00 0.00 0.00 0.00 0.00 2.52 2.53 0.00 29 S 7.82 4.09 0.00 3.96 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 30 C 7.63 4.41 0.00 3.13 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 31 N 7.85 4.48 0.00 2.90 2.92 0.00 0.00 6.92 8.51 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 32 Y 8.32 4.29 0.00 2.96 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 33 K 8.04 4.54 0.00 1.93 1.85 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.32 1.26 7.81 34 Q 7.41 4.63 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.16 6.78 0.00 0.00 0.00 0.00 0.00 2.31 2.48 0.00 35 L 8.21 4.40 0.00 1.68 1.59 0.93 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 36 R 7.99 4.69 0.00 1.95 1.83 0.00 3.30 0.00 0.00 3.41 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 37 K 8.31 4.83 0.00 1.70 1.78 0.00 1.52 0.00 0.00 1.72 0.00 0.00 2.82 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.32 1.52 7.81 38 G 8.77 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 39 A 9.10 4.07 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 40 N 8.09 4.41 0.00 2.77 2.83 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 41 E 8.18 4.11 0.00 2.07 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 2.41 2.38 0.00 42 A 8.24 4.02 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 T 7.61 3.87 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 1.30 0.00 0.00 44 K 8.26 4.06 0.00 2.06 1.90 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.45 7.81 45 T 7.91 3.85 4.27 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 1.23 0.00 0.00 46 L 7.74 4.01 0.00 1.75 1.70 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 47 N 7.88 4.42 0.00 2.92 2.88 0.00 0.00 7.31 8.04 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 48 R 8.15 4.12 0.00 2.01 1.96 0.00 3.27 0.00 0.00 3.24 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 49 G 9.02 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 50 I 7.77 4.59 1.89 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 1.20 0.93 0.92 0.00 0.00 51 S 8.06 4.68 0.00 3.93 3.86 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 52 E 8.53 4.56 0.00 2.04 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 2.26 2.38 0.00 53 F 7.84 4.69 0.00 2.99 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 54 I 8.02 5.02 1.97 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 1.27 1.07 0.99 0.00 0.00 55 V 9.29 5.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 1.05 0.00 0.00 56 M 8.85 5.41 0.00 2.18 2.25 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.89 0.00 57 A 8.35 4.66 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 58 A 8.17 3.43 1.19 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 0.00 0.00 0.00 59 D 7.84 4.82 0.00 2.54 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 A 7.92 4.59 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 61 E 8.35 4.93 0.00 1.92 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 2.22 2.24 0.00 62 P 0.00 4.44 0.00 2.28 2.21 0.00 3.70 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.98 0.00 63 L 8.54 4.11 0.00 1.70 1.74 0.88 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.28 3.97 0.00 2.11 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 2.28 2.40 0.00 65 I 7.43 4.02 1.88 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 1.49 1.02 0.92 0.00 0.00 66 I 7.74 3.86 2.02 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 1.79 0.79 1.02 0.00 0.00 67 L 7.72 4.37 0.00 1.61 1.71 0.92 1.02 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 68 H 7.84 4.34 0.00 3.33 3.42 0.00 5.78 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.02 4.17 0.00 1.65 1.73 0.95 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 70 P 0.00 4.34 0.00 2.10 1.97 0.00 3.71 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.83 0.00 71 L 8.59 4.10 0.00 1.64 1.73 0.90 0.94 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 72 L 6.68 4.48 0.00 1.59 1.55 0.92 0.83 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 73 C 7.24 4.72 0.00 3.06 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 74 E 8.71 4.04 0.00 2.14 2.33 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 2.39 2.27 0.00 75 D 8.16 4.37 0.00 2.64 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 76 K 8.29 4.23 0.00 1.69 1.82 0.00 1.86 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.44 7.81 77 N 8.58 4.13 0.00 2.88 2.87 0.00 0.00 6.58 7.38 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 78 V 7.58 4.34 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.93 0.00 0.00 79 P 0.00 4.49 0.00 1.91 1.93 0.00 3.86 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 1.96 2.06 0.00 80 Y 7.56 4.69 0.00 2.69 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 V 7.71 4.08 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 0.87 0.00 0.00 0.58 0.00 0.00 82 F 7.87 5.85 0.00 3.09 2.85 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 0.00 0.00 0.00 83 V 8.28 4.63 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 0.94 0.00 0.00 1.08 0.00 0.00 84 R 8.23 4.44 0.00 1.78 1.90 0.00 3.45 0.00 0.00 3.29 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 85 S 7.44 4.45 0.00 3.96 3.80 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 86 K 8.39 4.32 0.00 2.01 2.10 0.00 1.53 0.00 0.00 1.83 0.00 0.00 3.06 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.43 1.52 7.81 87 Q 8.13 4.00 0.00 2.12 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.97 0.00 0.00 0.00 0.00 0.00 2.46 2.45 0.00 88 A 7.90 4.12 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 89 L 7.89 4.05 0.00 1.80 1.80 0.96 1.13 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 90 G 8.55 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 91 R 7.73 4.14 0.00 2.16 2.20 0.00 2.78 0.00 0.00 3.18 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.65 0.00 92 A 8.02 4.09 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 93 C 7.70 4.26 0.00 3.11 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 94 G 8.56 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 95 V 7.59 4.43 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 0.87 0.00 0.00 0.94 0.00 0.00 96 S 8.34 4.50 0.00 3.87 3.80 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 97 R 6.94 4.32 0.00 1.86 1.76 0.00 3.18 0.00 0.00 3.39 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.45 0.00 98 P 0.00 4.44 0.00 2.19 2.10 0.00 3.77 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 99 V 8.18 3.88 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 0.77 0.00 0.00 0.98 0.00 0.00 100 I 8.34 3.97 1.89 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 1.41 1.17 0.99 0.00 0.00 101 A 7.73 4.89 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 C 9.21 5.38 0.00 3.18 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 0.00 103 S 8.52 5.08 0.00 4.03 3.86 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 0.00 104 V 8.67 4.50 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 0.96 0.00 0.00 0.90 0.00 0.00 105 T 8.57 4.64 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 1.24 0.00 0.00 106 I 7.72 4.18 1.88 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 1.09 0.78 1.00 0.00 0.00 107 K 8.26 4.54 0.00 1.72 1.57 0.00 1.79 0.00 0.00 1.82 0.00 0.00 3.14 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.57 1.53 7.81 108 E 8.74 4.08 0.00 1.98 1.84 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 2.30 2.31 0.00 109 G 8.64 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 0.00 110 S 7.48 4.92 0.00 3.84 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 0.00 111 Q 8.71 4.05 0.00 2.32 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.97 0.00 0.00 0.00 0.00 0.00 2.53 2.57 0.00 112 L 7.69 3.85 0.00 0.98 1.36 0.54 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 113 K 7.60 3.76 0.00 1.76 1.91 0.00 1.63 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.43 7.81 114 Q 7.90 4.13 0.00 2.13 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.47 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 115 Q 7.64 4.08 0.00 2.12 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.62 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 116 I 7.90 3.54 1.77 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.59 0.79 0.00 0.00 117 Q 8.35 3.98 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.96 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 118 S 7.44 4.21 0.00 3.92 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 0.00 119 I 7.98 3.87 1.89 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 1.71 1.27 1.01 0.00 0.00 120 Q 8.40 4.09 0.00 2.52 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.56 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 121 Q 7.77 3.97 0.00 2.24 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.56 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 122 S 8.08 4.06 0.00 4.05 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 0.00 123 I 7.53 3.37 1.62 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.14 0.49 0.00 0.00 124 E 8.02 3.76 0.00 1.91 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 2.31 2.31 0.00 125 R 7.71 3.90 0.00 1.99 1.96 0.00 3.18 0.00 0.00 3.28 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 126 L 7.03 4.26 0.00 1.59 1.57 0.82 0.87 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 0.00 127 L 7.63 3.92 0.00 1.69 1.65 0.77 0.32 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 0.00 128 V 7.44 3.95 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 0.70 0.00 0.00 1.03 0.00 0.00