NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.0975 8.1633 120.2683 54.6044 32.8382 173.6576 2 K 3.7071 8.5634 126.4849 56.6544 32.4598 175.5084 3 G 3.9358 8.7202 113.9973 44.8335 0.0000 171.1400 4 D 4.5652 8.4477 119.4801 53.8243 42.1749 176.9820 5 K 3.9201 8.9135 126.4400 59.8992 32.3643 179.1971 6 I 3.8239 7.8616 119.5083 63.9231 36.9644 178.4462 7 V 3.6950 8.0994 119.3366 66.1511 31.3384 178.1145 8 I 3.7388 7.7919 119.5370 64.4473 36.8847 178.4408 9 Q 3.9232 7.9080 118.4241 59.2688 28.5404 178.5372 10 H 4.1022 8.1537 117.1101 58.8937 28.6804 177.8476 11 L 4.0328 8.3466 121.1298 57.9960 41.4262 179.4125 12 N 4.3630 8.4933 116.4942 55.7083 38.4576 177.5747 13 K 3.9170 7.9556 121.4781 59.5303 32.2720 178.9875 14 I 3.7075 7.8727 120.1389 64.2135 37.0112 178.0256 15 L 4.0221 8.2098 121.4961 58.2240 41.7436 179.2267 16 G 3.6494 8.2480 105.5649 47.9657 0.0000 175.3712 17 N 4.3564 8.0273 118.6870 56.0654 38.4851 177.3546 18 E 3.9571 8.4029 120.1205 59.4945 29.4514 179.4517 19 L 3.9367 8.0608 118.9408 57.6266 41.5067 179.7616 20 I 3.6305 7.5079 119.7451 64.3113 37.1060 178.2116 21 A 3.1981 7.6534 121.3846 54.8423 18.0401 179.4859 22 I 3.5594 7.7176 118.3187 64.8046 37.2705 178.4060 23 N 4.3259 7.7605 117.0414 56.2686 38.4141 177.3122 24 Q 3.8694 8.0788 121.0705 59.5899 29.1076 178.0973 25 Y 4.7654 8.1483 119.4215 60.3662 37.8526 178.1356 26 F 3.9351 8.5677 121.9156 61.0798 39.5700 176.9256 27 L 3.9846 8.1399 119.9628 58.5871 41.8304 178.5959 28 H 3.9534 8.2496 115.8375 58.6489 28.5905 177.4861 29 A 4.1311 8.3056 122.8578 55.5699 18.2026 180.0684 30 R 3.7516 7.8315 116.1911 59.2294 29.9940 179.3423 31 M 3.4847 7.6943 118.8518 58.1388 31.7640 178.2397 32 Y 4.3648 7.7001 117.1185 61.2420 37.5748 178.4433 33 E 3.9580 8.2656 119.4236 59.6893 29.3846 179.0252 34 D 4.3539 8.0630 116.8934 56.8943 41.3120 177.5420 35 W 4.8668 7.8441 116.9334 56.7782 29.3490 177.0798 36 G 3.9644 8.1683 107.3211 45.6181 0.0000 175.1250 37 L 4.6360 7.9677 121.2548 52.9383 40.1593 176.9986 38 E 3.9321 8.0814 122.1918 59.4560 30.0543 179.0616 39 K 3.9358 8.1788 119.4994 59.3762 32.2267 178.6908 40 L 4.0407 7.8128 120.3695 57.9233 41.9521 178.9764 41 G 3.7745 8.1922 107.3126 47.0827 0.0000 175.6019 42 K 3.8502 8.3245 122.4826 59.4981 32.2802 178.4627 43 H 3.9032 8.0225 118.0460 59.1197 29.8291 176.8564 44 E 3.8634 8.3613 121.2711 59.2215 29.4524 178.1782 45 Y 4.0810 8.2812 119.9349 61.1476 38.8935 177.8541 46 H 4.1015 8.1334 117.0379 58.6700 28.7019 177.4495 47 E 3.7747 7.9464 121.2192 58.8670 29.3582 178.7751 48 S 4.2641 7.8821 113.4568 61.4850 62.4947 176.2404 49 I 3.6453 7.5471 122.5363 64.3802 36.7681 178.1987 50 D 4.2744 8.1013 119.8962 57.3142 40.5017 178.6804 51 E 3.9815 8.2425 119.1925 59.4182 29.3740 179.2285 52 M 4.0240 7.8777 118.9697 58.3598 31.9958 178.9538 53 K 4.0135 8.0021 118.6286 59.4632 32.1581 179.2869 54 H 4.2726 8.0962 116.5396 58.7578 28.6202 177.5407 55 A 3.9928 8.2563 122.8371 55.1462 18.1759 179.0221 56 D 4.2602 8.2268 116.4693 57.6761 41.3364 178.7303 57 K 3.9779 8.1771 118.8047 59.4506 31.9123 179.4111 58 L 4.0341 8.0342 119.2955 57.7132 41.5213 179.5634 59 I 3.7035 7.9398 119.8079 64.4180 37.1047 178.6300 60 K 3.9956 8.1997 119.3291 59.4342 31.8585 179.4503 61 R 4.0145 8.1148 118.9765 59.4876 29.9965 178.5931 62 I 3.7506 8.0895 119.9032 64.4448 37.0491 178.4490 63 L 4.0173 8.1576 119.8405 57.6946 41.2213 179.2570 64 F 4.2738 8.1825 119.6141 61.2952 39.6004 176.5249 65 L 4.6042 7.9959 117.3475 53.9674 41.3270 176.8256 66 E 3.8501 8.1581 117.7712 57.6823 27.0053 174.1683 67 G 3.9953 8.2420 107.2380 43.8156 0.0000 173.5502 68 L 4.5127 8.0037 118.8963 51.9425 42.0304 175.1629 69 P 4.3081 0.0000 0.0000 62.6345 31.7002 176.0853 70 N 4.6683 9.3477 122.6556 52.4637 38.3672 173.8928 71 L 4.5933 8.2497 123.9333 54.4876 42.3701 177.5422 72 Q 4.1005 8.3313 122.0446 58.0556 29.3335 176.0329 73 E 4.2895 8.1937 117.3647 55.0297 30.2731 175.1444 74 L 4.5390 8.3360 125.6929 52.8158 43.9295 176.3319 75 G 3.8424 8.4255 115.3738 44.2976 0.0000 172.1823 76 K 4.0087 8.3287 120.6958 56.2060 32.4119 176.2263 77 L 4.2678 8.3707 126.5511 54.3451 42.4359 177.2390 78 L 4.4833 8.7815 124.3678 53.3627 40.6078 174.7546 79 I 4.2477 7.9731 123.0251 59.9380 38.2743 176.5049 80 G 4.0757 8.7801 114.2747 44.6990 0.0000 172.8108 81 E 4.8119 9.5151 117.4363 56.3789 31.4947 176.6384 82 H 4.9103 7.8314 113.6037 53.0847 32.7128 173.8182 83 T 4.2912 8.7105 118.4750 67.3952 68.3496 176.1640 84 K 3.8335 8.1840 120.4262 59.7650 32.1890 178.3027 85 E 4.2951 7.6167 120.1866 58.7737 29.5329 178.5364 86 M 4.0274 8.1769 119.1186 58.1063 32.0133 178.5842 87 L 4.1129 8.3399 119.5051 58.0766 41.6848 179.5482 88 E 4.0477 8.2764 118.4181 59.4256 29.3502 179.2621 89 C 4.2565 8.3320 117.1382 62.9122 28.2271 175.8369 90 D 4.6986 8.5279 120.7154 57.2316 40.3217 178.5857 91 L 3.9670 8.1444 120.9051 58.0553 42.1561 178.8262 92 K 4.0498 8.3848 119.9109 59.4081 32.2041 178.3944 93 L 3.9572 8.0974 120.4182 58.3103 41.9119 178.6688 94 E 4.0765 8.3812 118.4230 59.8249 29.2467 179.5784 95 Q 4.0251 8.3283 116.7364 58.8319 28.7941 178.4177 96 A 4.2721 7.9655 121.2171 54.5503 18.7352 179.3627 97 G 3.7530 7.9833 103.6100 46.8229 0.0000 176.0495 98 L 3.9865 7.6185 121.5565 57.6778 41.7465 177.6108 99 P 4.2515 0.0000 0.0000 65.7453 31.1518 178.4482 100 D 4.3800 8.0314 117.1401 57.2955 40.8147 178.5488 101 L 3.9938 7.8780 119.4247 57.9186 41.6575 179.8566 102 K 3.9953 8.3833 118.3401 59.3232 31.9553 179.3776 103 A 4.0198 8.2448 121.0246 54.8589 18.1872 179.5944 104 A 3.6638 8.2137 119.4781 55.2694 18.5028 179.8615 105 I 3.6327 7.9619 118.2047 64.5748 37.2048 178.4794 106 A 4.0176 8.1575 121.5633 55.3733 18.2056 179.1241 107 Y 3.7764 8.1456 117.9894 60.8704 38.8118 177.6628 108 C 4.1116 8.4335 118.0025 62.7543 28.3371 175.7138 109 E 3.9574 8.3091 121.1085 59.3123 29.0330 179.0036 110 S 4.0710 7.6210 113.1305 60.8590 63.0027 175.9081 111 V 4.0288 7.0950 112.7387 60.1072 31.6073 176.5013 112 G 2.8984 7.1584 106.1285 46.3977 0.0000 175.4474 113 D 4.4507 7.5002 121.5147 52.8388 38.4340 176.1181 114 Y 4.3475 7.3583 121.3426 60.4811 38.4978 177.5581 115 A 4.0699 8.0678 121.4839 55.2742 18.6359 179.6774 116 S 4.1312 8.5982 113.7955 61.6143 62.7976 176.8397 117 R 3.9321 7.9568 120.9871 59.6176 29.9047 178.4110 118 E 3.9932 8.2851 118.3442 59.2249 29.4997 179.1915 119 L 3.9380 7.8933 120.1400 58.2406 42.2091 179.0719 120 L 4.0310 8.0232 118.9070 57.8514 41.5293 179.4089 121 E 4.0833 8.6227 119.0167 59.4197 28.8782 179.1152 122 D 4.3971 8.0981 118.9882 57.2958 40.7539 178.9365 123 I 3.5587 7.5951 120.1620 64.1566 37.0680 178.0271 124 L 3.9480 8.3085 121.6356 58.4043 41.9221 178.9036 125 E 3.9843 8.2983 118.3260 59.5860 29.3825 179.5524 126 S 4.3548 7.7735 114.5027 61.3597 62.9718 176.5558 127 E 4.0904 8.5058 121.7363 59.5689 29.2682 179.2794 128 E 4.0649 8.5300 118.6683 59.2872 29.4508 179.2311 129 D 4.4260 7.7467 117.9142 57.6051 40.8220 178.1994 130 H 4.3780 8.3242 118.7501 59.4377 29.8029 177.3401 131 I 3.7238 8.0860 121.7290 64.2900 36.9036 177.8882 132 D 4.3287 8.2390 118.8955 57.0951 41.1349 178.0831 133 W 4.1070 8.3969 128.7769 60.4436 30.8226 177.8109 134 L 3.8624 8.4819 119.1039 58.0233 41.1586 179.4102 135 E 3.9332 8.4299 118.6358 59.7219 29.2479 179.6923 136 T 3.8038 7.7610 115.7963 66.5306 68.4366 176.8549 137 Q 3.6018 7.5549 119.9488 58.7273 28.4953 178.8584 138 L 3.7363 7.4724 119.7154 57.8345 41.7295 179.3570 139 D 4.3035 8.0032 118.8150 57.1525 40.6411 178.8358 140 L 3.9530 7.9773 120.0219 57.7981 41.5917 179.5303 141 I 3.5312 7.4737 119.8093 64.3630 36.7289 178.0218 142 D 4.3142 7.6077 117.7827 56.8951 41.0725 177.9333 143 K 4.2102 7.7261 118.3573 57.7391 32.4583 177.5824 144 I 4.2337 8.0382 109.6617 59.8586 38.9152 176.3393 145 G 4.0748 8.1288 108.5868 46.0893 0.0000 174.3244 146 L 3.9726 8.5302 122.6956 58.0332 42.0967 179.2275 147 E 3.9499 8.2039 117.8742 59.7281 29.4772 179.0956 148 N 4.3438 8.0971 115.7316 56.3141 38.4728 176.5911 149 Y 3.9761 7.9437 119.8603 60.8701 39.2260 178.0205 150 L 4.0361 8.4860 120.1841 57.6618 41.7865 179.1934 151 Q 3.9437 8.1183 119.5334 59.4047 28.8273 178.5150 152 S 4.2488 7.9093 113.7919 60.3087 63.1183 175.3969 153 Q 4.2785 7.6336 120.1275 55.1606 28.8422 175.4542 154 M 4.7125 7.0708 119.9339 54.7225 33.0029 175.9060 155 D 4.4538 8.4259 118.5111 54.6392 41.4320 176.0488 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 4.10 0.00 1.32 1.71 0.00 0.00 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.44 0.00 2 K 8.56 3.71 0.00 1.70 1.75 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.58 1.44 7.81 3 G 8.72 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 4 D 8.45 4.57 0.00 2.85 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 0.00 0.00 0.00 0.00 5 K 8.91 3.92 0.00 1.85 1.79 0.00 1.75 0.00 0.00 1.80 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.51 7.81 6 I 7.86 3.82 1.87 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 1.43 0.42 -0.10 0.00 0.00 7 V 8.10 3.69 2.32 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 1.21 0.00 0.00 1.21 0.00 0.00 8 I 7.79 3.74 2.01 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 0.63 0.90 0.00 0.00 9 Q 7.91 3.92 0.00 2.13 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.31 2.58 0.00 10 H 8.15 4.10 0.00 3.35 3.32 0.00 5.62 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 11 L 8.35 4.03 0.00 1.99 1.73 0.96 0.59 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 12 N 8.49 4.36 0.00 2.92 2.84 0.00 0.00 6.67 8.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 K 7.96 3.92 0.00 1.94 2.04 0.00 1.51 0.00 0.00 1.62 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.52 7.81 14 I 7.87 3.71 2.01 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 1.72 0.73 0.92 0.00 0.00 15 L 8.21 4.02 0.00 1.83 1.85 0.92 1.05 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 16 G 8.25 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 17 N 8.03 4.36 0.00 3.01 2.88 0.00 0.00 7.04 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.40 3.96 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 2.59 2.52 0.00 19 L 8.06 3.94 0.00 1.79 1.67 0.90 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.51 3.63 1.96 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 1.41 0.79 0.88 0.00 0.00 21 A 7.65 3.20 1.01 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 22 I 7.72 3.56 1.96 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.68 0.86 0.00 0.00 23 N 7.76 4.33 0.00 2.70 2.83 0.00 0.00 6.76 7.50 0.00 0.00 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 Q 8.08 3.87 0.00 2.04 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.30 0.00 25 Y 8.15 4.77 0.00 3.02 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 F 8.57 3.94 0.00 3.37 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 27 L 8.14 3.98 0.00 1.85 1.72 0.89 0.84 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 28 H 8.25 3.95 0.00 3.56 3.14 0.00 5.70 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 29 A 8.31 4.13 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 30 R 7.83 3.75 0.00 1.71 1.87 0.00 3.11 0.00 0.00 2.82 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.77 0.00 31 M 7.69 3.48 0.00 0.85 1.61 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.20 0.00 32 Y 7.70 4.36 0.00 3.19 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 33 E 8.27 3.96 0.00 2.15 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.56 0.00 34 D 8.06 4.35 0.00 2.55 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 35 W 7.84 4.87 0.00 3.71 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 36 G 8.17 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 0.00 0.00 0.00 37 L 7.97 4.64 0.00 2.04 1.67 1.33 0.85 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 38 E 8.08 3.93 0.00 1.96 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 2.32 0.00 39 K 8.18 3.94 0.00 1.79 1.96 0.00 1.60 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.45 7.81 40 L 7.81 4.04 0.00 1.56 1.24 1.03 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.19 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 K 8.32 3.85 0.00 1.84 1.93 0.00 1.61 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.33 1.34 7.81 43 H 8.02 3.90 0.00 3.14 3.06 0.00 5.64 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.36 3.86 0.00 2.46 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 2.53 2.62 0.00 45 Y 8.28 4.08 0.00 3.01 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 H 8.13 4.10 0.00 3.20 3.16 0.00 5.69 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 7.95 3.77 0.00 1.86 1.79 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 1.47 2.09 0.00 48 S 7.88 4.26 0.00 4.20 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 49 I 7.55 3.65 1.82 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.17 0.81 0.00 0.00 50 D 8.10 4.27 0.00 2.72 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.24 3.98 0.00 2.14 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 2.80 2.66 0.00 52 M 7.88 4.02 0.00 2.04 2.24 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.53 0.00 53 K 8.00 4.01 0.00 1.91 1.84 0.00 1.60 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.65 7.81 54 H 8.10 4.27 0.00 3.49 3.33 0.00 5.64 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 55 A 8.26 3.99 1.36 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 0.00 0.00 0.00 56 D 8.23 4.26 0.00 2.91 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 57 K 8.18 3.98 0.00 2.01 1.85 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.65 7.81 58 L 8.03 4.03 0.00 1.88 1.72 0.95 0.72 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 59 I 7.94 3.70 2.04 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 1.52 0.79 0.92 0.00 0.00 60 K 8.20 4.00 0.00 1.95 1.87 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 3.36 0.00 0.00 0.00 0.00 1.47 1.61 7.81 61 R 8.11 4.01 0.00 2.07 2.13 0.00 3.32 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.80 0.00 62 I 8.09 3.75 2.03 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 1.54 0.71 0.94 0.00 0.00 63 L 8.16 4.02 0.00 1.89 1.76 0.94 0.85 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 64 F 8.18 4.27 0.00 2.97 3.31 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 65 L 8.00 4.60 0.00 2.05 1.62 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.16 3.85 0.00 2.03 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 2.15 2.26 0.00 67 G 8.24 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 68 L 8.00 4.51 0.00 1.61 1.62 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.31 0.00 2.03 1.99 0.00 3.65 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 70 N 9.35 4.67 0.00 2.60 2.73 0.00 0.00 7.11 7.79 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 71 L 8.25 4.59 0.00 1.62 1.62 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.33 4.10 0.00 1.99 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.53 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 73 E 8.19 4.29 0.00 1.98 1.86 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 2.26 2.27 0.00 74 L 8.34 4.54 0.00 1.53 1.50 0.89 1.05 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 75 G 8.43 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 76 K 8.33 4.01 0.00 1.71 1.74 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.43 1.53 7.81 77 L 8.37 4.27 0.00 1.66 1.55 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.78 4.48 0.00 1.76 1.68 0.97 0.72 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 79 I 7.97 4.25 1.91 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 1.35 0.78 0.96 0.00 0.00 80 G 8.78 4.08 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 0.00 0.00 0.00 81 E 9.52 4.81 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 2.33 2.28 0.00 82 H 7.83 4.91 0.00 3.26 3.25 0.00 5.69 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 T 8.71 4.29 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 1.47 0.00 0.00 84 K 8.18 3.83 0.00 1.83 1.89 0.00 1.68 0.00 0.00 1.76 0.00 0.00 3.10 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.46 7.81 85 E 7.62 4.30 0.00 1.84 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 2.38 2.26 0.00 86 M 8.18 4.03 0.00 1.82 2.29 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.21 0.00 87 L 8.34 4.11 0.00 2.03 1.70 1.09 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 88 E 8.28 4.05 0.00 2.18 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.51 0.00 89 C 8.33 4.26 0.00 3.28 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 D 8.53 4.70 0.00 2.94 2.71 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 91 L 8.14 3.97 0.00 1.88 1.85 0.94 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 92 K 8.38 4.05 0.00 1.93 2.01 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.48 7.81 93 L 8.10 3.96 0.00 2.09 1.92 0.87 0.83 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 94 E 8.38 4.08 0.00 2.24 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 0.00 2.69 2.51 0.00 95 Q 8.33 4.03 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.02 0.00 0.00 0.00 0.00 0.00 2.42 2.62 0.00 96 A 7.97 4.27 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.98 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 L 7.62 3.99 0.00 1.85 1.76 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 99 P 0.00 4.25 0.00 2.17 2.13 0.00 3.75 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 100 D 8.03 4.38 0.00 2.88 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 L 7.88 3.99 0.00 1.89 1.73 0.94 1.04 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 0.00 102 K 8.38 4.00 0.00 1.81 1.88 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.66 7.81 103 A 8.24 4.02 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 A 8.21 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 0.00 105 I 7.96 3.63 2.03 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 1.48 0.93 0.94 0.00 0.00 106 A 8.16 4.02 1.41 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 0.00 0.00 107 Y 8.15 3.78 0.00 3.15 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 C 8.43 4.11 0.00 3.17 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 E 8.31 3.96 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 110 S 7.62 4.07 0.00 3.90 3.94 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 0.00 0.00 0.00 111 V 7.09 4.03 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 0.26 0.00 0.00 0.85 0.00 0.00 112 G 7.16 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 0.00 0.00 0.00 113 D 7.50 4.45 0.00 2.65 2.51 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 0.00 0.00 0.00 0.00 114 Y 7.36 4.35 0.00 3.09 2.93 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 0.00 115 A 8.07 4.07 1.37 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 0.00 116 S 8.60 4.13 0.00 4.20 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 0.00 117 R 7.96 3.93 0.00 1.97 2.21 0.00 3.18 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.72 0.00 118 E 8.29 3.99 0.00 2.24 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.50 0.00 119 L 7.89 3.94 0.00 1.81 1.87 0.92 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 120 L 8.02 4.03 0.00 1.92 1.71 0.94 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 121 E 8.62 4.08 0.00 2.15 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.65 0.00 122 D 8.10 4.40 0.00 2.91 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 I 7.60 3.56 1.96 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.81 0.83 0.00 0.00 124 L 8.31 3.95 0.00 1.79 1.86 0.99 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 125 E 8.30 3.98 0.00 2.24 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.67 0.00 126 S 7.77 4.35 0.00 4.15 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 0.00 127 E 8.51 4.09 0.00 2.14 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 0.00 2.56 2.54 0.00 128 E 8.53 4.06 0.00 2.05 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 2.37 2.61 0.00 129 D 7.75 4.43 0.00 3.02 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 H 8.32 4.38 0.00 3.36 3.51 0.00 5.61 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 0.00 131 I 8.09 3.72 2.07 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 1.45 0.74 0.94 0.00 0.00 132 D 8.24 4.33 0.00 2.99 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 W 8.40 4.11 0.00 3.52 3.46 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 0.00 134 L 8.48 3.86 0.00 1.91 1.71 0.84 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.43 3.93 0.00 2.10 1.96 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 2.31 2.59 0.00 136 T 7.76 3.80 4.15 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 0.00 0.00 0.00 1.10 0.00 0.00 137 Q 7.55 3.60 0.00 1.63 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 138 L 7.47 3.74 0.00 1.73 1.59 0.86 0.88 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 0.00 139 D 8.00 4.30 0.00 2.74 2.64 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 0.00 0.00 0.00 0.00 140 L 7.98 3.95 0.00 1.85 1.65 0.89 0.77 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 0.00 141 I 7.47 3.53 1.75 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 -0.24 0.80 0.00 0.00 142 D 7.61 4.31 0.00 2.56 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 0.00 143 K 7.73 4.21 0.00 1.78 1.83 0.00 1.68 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.57 7.81 144 I 8.04 4.23 1.89 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 1.55 0.71 0.93 0.00 0.00 145 G 8.13 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 0.00 146 L 8.53 3.97 0.00 1.76 1.69 0.97 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.20 3.95 0.00 2.09 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 2.40 2.47 0.00 148 N 8.10 4.34 0.00 2.95 2.88 0.00 0.00 6.67 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 Y 7.94 3.98 0.00 2.99 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 0.00 150 L 8.49 4.04 0.00 1.69 1.71 0.92 0.94 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 0.00 151 Q 8.12 3.94 0.00 2.19 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.83 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 152 S 7.91 4.25 0.00 3.79 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 Q 7.63 4.28 0.00 2.03 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.90 0.00 0.00 0.00 0.00 0.00 1.82 2.09 0.00 154 M 7.07 4.71 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.48 0.00 155 D 8.43 4.45 0.00 2.62 2.53 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