NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 14 S 4.4466 8.1776 115.4038 58.3314 64.4038 175.1727 15 S 3.9829 8.7804 119.4551 60.4505 63.6413 174.5123 16 H 4.1733 8.9257 120.7805 58.1463 28.9239 178.9784 17 R 3.5077 7.5581 119.6145 59.1388 30.0176 178.7220 18 L 3.5390 7.5584 118.4231 57.5984 41.5358 179.4911 19 A 3.9083 7.5661 120.5358 54.8838 18.2245 179.4713 20 L 3.7712 7.3234 118.7066 58.5663 42.2637 178.4971 21 Y 4.2036 7.6353 116.9076 61.2614 37.6856 178.9850 22 R 3.9888 7.8965 119.1897 59.6712 29.9372 178.3882 23 N 4.4059 8.0646 116.2669 56.3355 38.5270 177.5816 24 Q 4.0323 8.9107 119.7255 58.9001 28.7645 178.5234 25 A 4.1216 8.7192 122.1615 54.9949 18.4317 179.7169 26 K 3.9141 8.1364 117.0160 59.9186 32.1472 179.6662 27 S 4.1672 7.8095 114.9591 61.5308 62.7369 176.5917 28 L 3.9944 8.0829 122.9872 58.2458 41.6447 179.0957 29 L 4.0841 8.1173 118.2179 57.7634 41.5508 179.3992 30 T 4.0317 7.6022 115.1132 66.7193 68.7840 176.3798 31 H 4.5963 8.0928 115.7906 55.9120 29.5748 176.7927 32 G 4.0517 9.5234 109.6793 45.2105 0.0000 172.8996 33 R 5.1358 7.4234 113.8382 55.3501 32.4594 174.3295 34 I 4.7819 8.9780 120.3375 60.4795 42.3076 173.9982 35 T 5.1410 8.3979 120.6057 62.4635 71.7921 173.5014 36 T 4.6266 8.3399 115.7088 61.3265 72.2687 173.4047 37 T 4.6380 8.5448 110.8360 61.3464 70.5073 175.5303 38 V 3.5694 8.2358 121.2637 65.7837 31.4104 176.4439 39 P 4.2329 0.0000 0.0000 65.7153 31.3473 178.7710 40 K 4.0359 7.7563 115.5288 59.4225 31.8549 179.3193 41 A 4.0296 8.1118 121.2166 54.9582 18.1537 179.8948 42 K 3.9243 7.9059 116.8004 59.6827 32.2725 179.5229 43 E 3.8970 8.2384 118.8947 59.0178 29.2329 179.2717 44 L 3.6181 7.8076 120.3918 58.1530 42.2531 178.6872 45 R 3.9974 8.1159 118.8743 59.7732 29.8017 178.6086 46 G 3.6051 7.9276 105.1539 47.5138 0.0000 175.6319 47 F 4.1647 7.9326 122.5812 61.0143 39.3394 177.5076 48 V 3.5026 8.2695 118.2783 66.2293 31.5378 177.7122 49 D 4.5671 8.1465 118.6194 57.7719 40.1636 178.4066 50 H 4.2717 8.0797 118.4560 59.0272 29.8076 177.3937 51 L 3.7028 7.3226 120.5176 57.6115 41.4541 179.4666 52 I 3.5205 7.9599 120.1413 64.1491 36.8806 177.9496 53 H 4.1036 8.0306 119.0369 59.3614 29.7220 177.4155 54 L 3.7896 7.6226 119.9267 57.5183 41.1777 179.3492 55 A 2.5800 7.3651 120.0508 54.3154 18.1888 179.5321 56 K 3.8985 7.4376 116.5584 59.3736 32.2366 179.3363 57 R 3.8497 8.0200 118.1312 57.7987 31.3027 177.5717 58 G 3.9622 7.0405 105.9227 46.5892 0.0000 172.1180 59 D 5.0686 7.3736 124.2097 50.4357 44.3670 176.2540 60 L 3.8891 8.5095 119.3197 59.9104 39.8709 179.2166 61 H 4.2727 8.3006 117.1018 57.9151 28.6290 177.6987 62 A 4.0380 7.8653 121.8784 55.3686 18.2139 179.7516 63 R 3.8538 8.4294 117.2929 59.1552 29.9144 178.8579 64 R 3.8807 7.5335 117.4691 59.5337 30.2513 178.5411 65 L 4.1030 7.9662 118.7665 57.5997 41.5411 179.7194 66 V 3.6491 8.0755 118.6068 65.8305 31.2508 177.9073 67 L 4.2359 7.4946 120.8091 57.5830 42.0236 178.6316 68 R 4.0431 7.9168 117.8569 59.0814 30.0147 177.7246 69 D 4.8844 7.9048 117.4655 54.8091 41.0919 176.0819 70 L 4.5805 8.2446 123.4684 53.4251 42.6277 176.9962 71 Q 4.3262 8.4264 130.5506 54.8689 28.0943 177.7124 72 D 4.5409 7.5327 117.3279 51.9105 44.7254 174.1504 73 V 3.4883 8.4567 126.7918 66.2335 31.7941 177.6417 74 K 3.8709 8.2551 117.6613 59.7643 31.7995 179.0860 75 L 4.0161 7.8026 118.3756 57.7662 41.7494 179.4051 76 V 3.7795 7.8113 118.1923 65.7757 31.3644 178.1480 77 R 3.7929 8.4183 119.0370 59.2300 29.9790 178.1161 78 K 3.8383 8.1337 119.4805 59.7067 32.0574 178.0984 79 L 3.9096 8.3316 119.3096 58.2152 41.3965 179.7089 80 F 3.8801 8.2146 115.6553 60.4433 39.1196 176.8927 81 D 4.7449 8.0430 114.7538 54.6633 41.0771 175.8073 82 E 4.4276 8.1517 118.0597 57.3219 32.0826 177.4337 83 I 3.5393 7.6271 118.3379 64.0403 37.3063 178.1513 84 A 3.8373 8.3495 121.9321 54.7792 18.3040 177.7008 85 P 4.1070 0.0000 0.0000 65.9286 31.1680 178.7527 86 R 3.9071 7.2114 114.7018 58.3884 29.6828 176.5123 87 Y 5.3497 7.3177 115.4315 56.9362 38.4485 177.5357 88 R 3.8196 7.9315 122.0042 58.3961 30.5682 177.1822 89 D 4.5946 8.1920 117.0741 55.5990 40.4175 176.9295 90 R 4.1798 7.4408 118.7107 55.9190 30.9041 175.5216 91 Q 4.5807 8.7255 122.3114 54.7798 29.3124 173.4757 92 G 3.3991 8.5704 102.5877 43.0159 0.0000 172.9184 93 G 3.8038 7.7750 106.0997 46.6976 0.0000 173.9457 94 Y 3.8809 7.5642 116.2325 59.3713 39.3756 176.6804 95 T 4.9824 7.8071 113.3957 60.0470 70.0654 172.9157 96 R 4.5917 9.3572 129.1287 54.6627 32.4886 174.7199 97 V 4.7332 8.3668 125.4854 61.1291 33.8478 174.4172 98 L 4.7159 9.0534 128.4750 52.4686 44.2633 176.0312 99 K 4.4730 8.7680 126.1228 56.5555 32.8012 176.1968 100 L 4.6633 8.5697 126.8699 53.3177 43.2129 176.7895 101 A 4.0998 8.5448 123.6101 54.8283 19.2167 178.3083 102 E 4.2562 7.9405 115.8827 55.6661 30.5124 175.1247 103 R 5.2435 8.2747 118.4616 52.7746 32.9677 174.7036 104 R 4.1584 8.3079 114.3891 55.3741 29.9737 177.5144 105 R 4.1065 8.8116 123.5711 58.7143 29.9743 176.9318 106 G 3.5849 7.6868 106.4003 46.6050 0.0000 172.8855 107 D 4.5569 8.2752 121.4564 51.6923 41.3564 176.4068 108 G 3.6235 8.5247 108.6437 46.1149 0.0000 172.6818 109 A 4.8862 7.3717 121.5360 49.1909 22.7578 175.0054 110 P 4.5122 0.0000 0.0000 63.1579 32.3421 175.9918 111 L 4.9973 8.2983 123.6237 53.9570 44.0848 175.6373 112 A 5.0089 8.8593 121.4855 50.5604 23.2769 174.8345 113 L 4.9054 9.0646 124.1565 53.6314 44.0592 175.2799 114 V 5.0438 8.9485 126.8151 61.2821 34.2223 174.1084 115 E 5.0771 8.9661 124.1158 55.2919 33.6004 173.7570 116 L 4.8139 8.0029 119.8914 54.0848 42.2370 177.9533 117 V 3.8193 8.8707 124.5663 60.7512 32.3653 176.0323 118 E 4.8175 8.7002 122.2026 57.0818 30.0306 176.6005 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 14 S 8.18 4.45 0.00 4.01 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 15 S 8.78 3.98 0.00 4.12 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 16 H 8.93 4.17 0.00 3.12 3.33 0.00 5.62 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 R 7.56 3.51 0.00 1.66 1.24 0.00 3.10 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.72 0.00 18 L 7.56 3.54 0.00 1.64 1.66 0.95 0.72 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 19 A 7.57 3.91 1.25 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 0.00 0.00 20 L 7.32 3.77 0.00 1.71 1.62 0.96 1.10 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 21 Y 7.64 4.20 0.00 2.30 1.52 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 22 R 7.90 3.99 0.00 2.01 2.11 0.00 3.12 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 1.69 1.89 0.00 23 N 8.06 4.41 0.00 2.93 2.86 0.00 0.00 7.09 7.56 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 24 Q 8.91 4.03 0.00 2.26 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.59 0.00 25 A 8.72 4.12 1.55 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 0.00 0.00 26 K 8.14 3.91 0.00 2.04 1.91 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.81 7.81 27 S 7.81 4.17 0.00 4.04 4.02 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 28 L 8.08 3.99 0.00 1.89 1.92 0.98 0.47 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 29 L 8.12 4.08 0.00 1.94 1.72 0.92 1.10 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 30 T 7.60 4.03 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 1.03 0.00 0.00 31 H 8.09 4.60 0.00 3.16 3.36 0.00 5.70 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 G 9.52 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 33 R 7.42 5.14 0.00 1.80 1.89 0.00 3.05 0.00 0.00 3.24 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 34 I 8.98 4.78 1.91 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 1.32 1.03 0.94 0.00 0.00 35 T 8.40 5.14 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 1.28 0.00 0.00 36 T 8.34 4.63 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 37 T 8.54 4.64 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 1.22 0.00 0.00 38 V 8.24 3.57 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 1.02 0.00 0.00 0.99 0.00 0.00 39 P 0.00 4.23 0.00 2.22 2.10 0.00 3.62 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 40 K 7.76 4.04 0.00 1.88 1.92 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.50 7.81 41 A 8.11 4.03 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 42 K 7.91 3.92 0.00 2.00 1.86 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.69 7.81 43 E 8.24 3.90 0.00 2.13 1.74 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 2.40 2.34 0.00 44 L 7.81 3.62 0.00 1.91 1.76 0.95 0.78 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 45 R 8.12 4.00 0.00 2.00 2.08 0.00 3.29 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.74 0.00 46 G 7.93 3.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 F 7.93 4.16 0.00 2.97 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 48 V 8.27 3.50 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 1.11 0.00 0.00 1.07 0.00 0.00 49 D 8.15 4.57 0.00 2.90 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 H 8.08 4.27 0.00 3.14 3.50 0.00 5.78 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.32 3.70 0.00 1.66 1.49 0.74 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 52 I 7.96 3.52 1.42 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 1.25 0.98 0.22 0.00 0.00 53 H 8.03 4.10 0.00 3.31 3.57 0.00 5.59 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 54 L 7.62 3.79 0.00 1.82 1.67 1.00 0.91 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 55 A 7.37 2.58 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 K 7.44 3.90 0.00 1.79 1.80 0.00 1.69 0.00 0.00 1.60 0.00 0.00 3.10 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.26 1.46 7.81 57 R 8.02 3.85 0.00 1.68 2.03 0.00 3.34 0.00 0.00 3.21 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 58 G 7.04 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 59 D 7.37 5.07 0.00 2.88 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 8.51 3.89 0.00 1.78 1.96 0.92 0.67 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 61 H 8.30 4.27 0.00 3.33 3.41 0.00 5.62 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 62 A 7.87 4.04 1.60 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 0.00 0.00 63 R 8.43 3.85 0.00 1.42 1.73 0.00 2.32 0.00 0.00 2.71 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.87 0.00 64 R 7.53 3.88 0.00 1.94 2.12 0.00 3.15 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 65 L 7.97 4.10 0.00 1.79 1.77 0.97 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 66 V 8.08 3.65 2.26 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 1.11 0.00 0.00 1.04 0.00 0.00 67 L 7.49 4.24 0.00 1.74 1.86 0.89 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 68 R 7.92 4.04 0.00 2.01 2.12 0.00 3.34 0.00 0.00 3.25 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 69 D 7.90 4.88 0.00 2.91 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 70 L 8.24 4.58 0.00 1.71 1.70 0.98 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 8.43 4.33 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.48 0.00 0.00 0.00 0.00 0.00 2.39 2.30 0.00 72 D 7.53 4.54 0.00 2.71 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 73 V 8.46 3.49 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 1.02 0.00 0.00 0.92 0.00 0.00 74 K 8.26 3.87 0.00 1.88 1.87 0.00 1.60 0.00 0.00 2.03 0.00 0.00 3.31 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.54 1.61 7.81 75 L 7.80 4.02 0.00 1.81 1.74 1.00 0.86 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 76 V 7.81 3.78 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 0.91 0.00 0.00 1.00 0.00 0.00 77 R 8.42 3.79 0.00 1.95 2.12 0.00 3.15 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 78 K 8.13 3.84 0.00 1.86 1.98 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.48 7.81 79 L 8.33 3.91 0.00 2.10 1.67 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 80 F 8.21 3.88 0.00 2.89 3.13 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 0.00 0.00 0.00 0.00 81 D 8.04 4.74 0.00 2.67 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 82 E 8.15 4.43 0.00 1.83 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 2.14 2.17 0.00 83 I 7.63 3.54 1.71 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 1.69 1.19 0.75 0.00 0.00 84 A 8.35 3.84 1.14 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 85 P 0.00 4.11 0.00 2.08 2.07 0.00 3.54 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 2.14 2.10 0.00 86 R 7.21 3.91 0.00 1.64 1.11 0.00 3.03 0.00 0.00 3.26 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 87 Y 7.32 5.35 0.00 2.89 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 88 R 7.93 3.82 0.00 2.03 1.97 0.00 3.40 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 89 D 8.19 4.59 0.00 2.99 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 90 R 7.44 4.18 0.00 1.92 2.10 0.00 2.88 0.00 0.00 2.99 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.42 0.00 91 Q 8.73 4.58 0.00 2.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.64 0.00 0.00 0.00 0.00 0.00 2.22 2.35 0.00 92 G 8.57 3.40 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 0.00 93 G 7.77 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 0.00 0.00 0.00 94 Y 7.56 3.88 0.00 2.88 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 0.00 0.00 0.00 0.00 95 T 7.81 4.98 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 96 R 9.36 4.59 0.00 1.86 1.75 0.00 3.09 0.00 0.00 3.08 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 97 V 8.37 4.73 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 0.87 0.00 0.00 0.92 0.00 0.00 98 L 9.05 4.72 0.00 1.54 1.54 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 99 K 8.77 4.47 0.00 1.77 1.71 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.61 7.81 100 L 8.57 4.66 0.00 1.66 1.57 0.93 1.10 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 0.00 101 A 8.54 4.10 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 0.00 102 E 7.94 4.26 0.00 2.02 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 2.37 2.29 0.00 103 R 8.27 5.24 0.00 2.00 1.88 0.00 2.69 0.00 0.00 3.87 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.53 0.00 104 R 8.31 4.16 0.00 2.02 2.11 0.00 3.26 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 105 R 8.81 4.11 0.00 1.79 2.02 0.00 3.25 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 106 G 7.69 3.58 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 0.00 0.00 0.00 107 D 8.28 4.56 0.00 2.79 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 G 8.52 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 0.00 109 A 7.37 4.89 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 0.00 110 P 0.00 4.51 0.00 2.13 2.22 0.00 3.69 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 2.00 0.00 111 L 8.30 5.00 0.00 1.84 1.62 0.93 0.66 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 0.00 112 A 8.86 5.01 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 0.00 113 L 9.06 4.91 0.00 1.66 1.68 0.93 0.86 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 0.00 114 V 8.95 5.04 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 1.01 0.00 0.00 0.94 0.00 0.00 115 E 8.97 5.08 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 2.21 2.30 0.00 116 L 8.00 4.81 0.00 1.74 1.86 0.98 1.02 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 0.00 117 V 8.87 3.82 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 0.55 0.00 0.00 0.90 0.00 0.00 118 E 8.70 4.82 0.00 2.25 2.03 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 2.12 2.12 0.00