NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3911 8.3044 120.3223 55.4950 33.2677 174.3667 2 N 4.2917 8.4874 116.5036 53.7688 39.2459 173.7048 3 A 3.9769 7.6011 121.6030 52.0200 19.7585 174.9265 4 P 4.3903 0.0000 0.0000 61.7955 32.7270 175.9964 5 D 4.2072 8.3591 120.9081 54.8246 41.3321 178.2711 6 R 3.8904 8.2039 120.8404 58.7452 30.7290 178.9000 7 F 3.4365 7.6936 112.9893 59.6481 37.6884 176.8475 8 E 3.9537 6.8004 119.0205 58.0765 29.3496 177.7284 9 L 4.3288 7.5220 118.5376 55.7274 42.0508 177.1852 10 F 5.0379 7.7931 110.8036 55.6955 39.2040 174.6601 11 L 4.8414 7.5564 120.8941 52.9661 44.8439 176.0179 12 L 4.2333 8.5884 123.8169 53.9478 42.3835 177.1136 13 G 3.8670 8.5640 111.5942 44.7628 0.0000 172.5461 14 E 3.8643 8.6601 119.9158 57.2897 29.9176 177.0024 15 G 4.0138 8.7021 112.2299 46.1955 0.0000 172.9084 16 E 4.4382 7.6125 117.6599 55.1370 30.7514 176.1155 17 S 4.7603 8.1095 117.7484 56.8107 65.3278 174.5512 18 K 4.1421 8.7038 121.8101 59.3453 32.5057 176.8597 19 L 5.0324 7.6230 116.7324 51.7386 44.9093 176.0671 20 K 4.6111 8.2469 119.9699 54.6416 35.9606 175.0731 21 I 4.8915 8.3448 124.4794 59.6416 40.1529 174.6330 22 D 4.8598 8.7282 125.0605 52.1142 45.6427 172.7434 23 P 4.8287 0.0000 0.0000 61.9907 32.4841 175.1068 24 D 4.6279 8.8930 124.8701 53.9292 41.4438 176.6138 25 T 4.1782 8.5659 121.7790 65.9371 69.2257 176.9870 26 K 3.7715 7.4198 119.8841 59.2545 32.1689 176.3112 27 A 4.6149 7.3167 118.6178 50.1424 22.4089 173.3645 28 P 4.5585 0.0000 0.0000 63.0677 33.1310 175.3594 29 N 4.1561 8.7335 114.1865 54.6468 35.6312 173.7037 30 A 5.3469 7.5681 118.2992 50.2639 23.2818 176.7359 31 V 4.8756 9.1180 119.9800 60.0337 36.1270 174.3749 32 V 4.8867 9.0165 121.2661 61.3578 34.2604 174.0574 33 I 4.8272 9.3596 129.6802 59.8959 39.5546 174.7670 34 T 4.8763 8.5087 123.7598 61.9436 70.5803 173.7004 35 F 4.6095 8.5474 126.8450 56.4959 38.5316 175.5703 36 E 4.4808 8.7545 123.5409 55.1889 31.2848 176.6538 37 K 4.0050 8.3979 119.0895 57.6416 29.6719 173.0349 38 E 5.0168 7.6752 115.2514 55.3387 34.9008 174.8047 39 D 4.5663 8.0750 116.9065 52.4198 41.2705 175.6641 40 H 3.9200 9.0341 113.1877 59.8656 27.4151 176.8676 41 T 3.7085 8.2975 116.7993 67.4281 68.2378 175.8760 42 L 4.1021 7.6655 121.2762 57.8651 42.4441 179.4538 43 G 2.0000 7.2108 105.6891 47.1065 0.0000 175.3671 44 N 3.8950 7.0816 118.4857 55.4636 39.0935 176.4264 45 L 4.0270 6.7605 119.2446 57.7998 42.4023 178.2939 46 I 3.5866 7.5672 119.6675 64.5641 36.9159 177.9878 47 R 3.8211 7.3114 117.2062 59.8778 29.7536 177.9769 48 A 4.1123 7.8665 120.0346 54.7913 18.3246 179.3466 49 E 3.9164 8.1292 116.7679 59.8387 29.0729 179.3066 50 L 4.1485 7.8362 118.7280 57.2594 41.5114 178.5033 51 L 4.1831 7.2183 117.7527 55.2448 42.3712 176.5741 52 N 4.5013 8.2927 115.0835 55.3987 39.4115 174.7238 53 D 4.4833 7.5478 119.1310 54.0308 40.9342 176.9599 54 R 4.1379 8.5365 126.5113 58.5382 30.5365 177.9976 55 K 4.1904 8.5672 116.7950 57.5430 32.3182 176.4813 56 V 4.1839 7.6289 119.9447 62.7114 30.8633 175.6308 57 L 4.3979 8.7261 129.5189 57.1155 42.5750 177.7630 58 F 4.9040 8.0106 119.4769 56.6717 42.8913 173.0843 59 A 5.5285 7.7525 125.1684 51.1738 22.2220 175.0838 60 A 4.5538 8.0413 119.4260 51.4196 22.3395 174.8467 61 Y 5.6047 8.6459 117.7086 55.5366 41.7271 174.5968 62 K 4.3483 9.0169 118.3244 55.6819 36.5188 175.1050 63 V 4.4486 8.1407 122.8913 60.2509 31.7086 175.6014 64 E 4.1340 9.0488 126.4333 59.0019 29.9888 177.2350 65 H 4.7072 7.9885 117.2469 53.6277 32.8740 171.9184 66 P 4.4970 0.0000 0.0000 64.6608 31.3344 177.0422 67 F 4.6255 7.8470 116.7992 58.5076 39.3416 175.3382 68 F 5.0689 7.8813 118.8999 55.5697 41.3329 175.5412 69 A 4.7599 8.5893 127.2609 50.7471 17.7420 176.0056 70 R 5.0296 8.1675 115.1645 55.3691 32.7615 174.2236 71 F 5.4099 8.8753 115.8038 55.3416 42.5220 173.3466 72 K 5.1659 9.2109 116.8833 54.6729 36.1217 175.4754 73 L 5.4846 9.2000 126.4437 53.2625 45.5165 174.7939 74 R 5.1543 9.4803 126.5785 54.7270 32.7799 174.1286 75 I 5.1011 8.7128 127.1496 59.5654 40.4368 174.3709 76 Q 5.3557 9.5689 128.1347 54.6390 31.8630 174.2253 77 T 5.2926 8.4396 114.3479 59.6786 72.4986 173.5567 78 T 4.0674 8.7596 112.9571 61.9500 69.9600 173.0517 79 E 4.2228 8.6753 124.4521 57.7089 29.9820 176.9874 80 G 3.9884 9.2713 114.4806 45.1390 0.0000 172.1059 81 Y 4.7927 8.1187 121.4180 55.3443 39.8523 174.1573 82 D 4.6223 8.7280 128.1033 53.1845 42.3272 174.5883 83 P 4.0983 0.0000 0.0000 66.3894 31.0176 178.6950 84 K 3.8427 8.4712 118.4423 59.1246 31.8235 178.9557 85 D 4.4483 7.7466 117.5546 56.8588 40.7378 178.0950 86 A 4.2879 7.9038 122.1953 53.1429 18.4199 178.9420 87 L 4.1245 7.7208 118.5939 57.2771 42.4766 178.6898 88 K 4.0226 8.1054 118.5524 59.7067 32.1038 178.9026 89 N 4.3543 8.6406 116.8185 56.2312 37.9703 177.2225 90 A 4.1149 7.9830 121.8665 54.8452 18.9204 179.1300 91 C 4.0383 8.7417 115.9219 63.3419 27.7540 175.7796 92 N 4.1716 8.1257 117.5443 57.0110 37.9715 177.1320 93 S 4.1649 7.9598 115.1618 62.3118 63.2252 176.9406 94 I 3.8467 7.4284 121.7171 64.2662 36.9893 178.2641 95 I 3.6919 8.1400 120.7462 64.6017 37.0442 178.4756 96 N 4.3367 7.8376 116.4097 56.3411 38.7058 177.4291 97 K 4.2122 8.1415 118.6224 57.9430 32.1256 179.2239 98 L 4.1419 8.5059 119.5683 58.6701 42.0520 180.7412 99 G 3.6242 8.0945 103.4737 46.5935 0.0000 176.3659 100 A 4.0548 8.1773 122.5558 54.3348 18.6173 179.1869 101 L 3.8892 8.0419 117.3378 58.3373 42.0612 179.5738 102 K 4.1086 8.5262 119.6293 59.7107 32.1902 178.6008 103 T 4.0247 7.8306 116.8627 66.2583 68.2636 176.2543 104 N 4.3465 8.4396 119.4788 56.1781 38.8457 176.9853 105 F 4.4202 8.0835 121.4779 61.0821 39.5628 177.1945 106 E 4.0200 8.5150 118.4918 60.0509 29.1398 179.8699 107 T 3.7812 7.8493 115.1701 66.6767 68.5330 176.7637 108 E 4.0183 7.7113 118.8171 58.3876 29.5237 178.4585 109 W 4.3575 7.2661 127.4208 58.9191 30.9594 177.3359 110 N 4.3474 8.2959 116.9336 55.3742 38.0561 177.1953 111 L 3.9465 7.6302 116.3417 55.4496 42.0694 176.3171 112 Q 4.4713 12.0000 119.2463 54.1230 31.4087 174.7420 113 T 4.3674 8.0836 113.7526 60.6610 71.4532 173.7670 114 L 3.9405 8.3681 123.6483 55.5115 42.7364 173.9396 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 8.30 4.39 0.00 2.03 2.08 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.56 0.00 2 N 8.49 4.29 0.00 2.72 2.75 0.00 0.00 6.83 7.08 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 3 A 7.60 3.98 1.16 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 4 P 0.00 4.39 0.00 2.09 1.98 0.00 3.63 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.81 0.00 5 D 8.36 4.21 0.00 1.58 1.85 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 6 R 8.20 3.89 0.00 1.78 1.99 0.00 3.34 0.00 0.00 3.36 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.54 0.00 7 F 7.69 3.44 0.00 3.09 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 8 E 6.80 3.95 0.00 1.98 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 2.34 2.11 0.00 9 L 7.52 4.33 0.00 1.69 1.79 1.00 0.85 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 10 F 7.79 5.04 0.00 3.02 3.15 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 0.00 11 L 7.56 4.84 0.00 1.75 1.62 1.23 0.96 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 12 L 8.59 4.23 0.00 1.64 1.60 0.97 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 13 G 8.56 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 0.00 0.00 0.00 14 E 8.66 3.86 0.00 2.01 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 2.37 2.31 0.00 15 G 8.70 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 16 E 7.61 4.44 0.00 2.00 1.87 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 2.28 2.41 0.00 17 S 8.11 4.76 0.00 3.91 3.73 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 18 K 8.70 4.14 0.00 1.66 1.83 0.00 1.72 0.00 0.00 1.91 0.00 0.00 2.99 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.57 1.48 7.81 19 L 7.62 5.03 0.00 1.32 1.26 0.70 0.04 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 20 K 8.25 4.61 0.00 1.57 1.59 0.00 1.55 0.00 0.00 1.76 0.00 0.00 2.81 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.37 7.81 21 I 8.34 4.89 1.82 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.50 0.87 0.00 0.00 22 D 8.73 4.86 0.00 2.55 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 P 0.00 4.83 0.00 1.92 1.96 0.00 3.65 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 1.99 2.06 0.00 24 D 8.89 4.63 0.00 2.65 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 25 T 8.57 4.18 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 26 K 7.42 3.77 0.00 1.76 1.84 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.52 7.81 27 A 7.32 4.61 1.15 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 0.00 0.00 0.00 28 P 0.00 4.56 0.00 2.19 2.05 0.00 4.07 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.97 0.00 29 N 8.73 4.16 0.00 2.94 3.08 0.00 0.00 6.62 7.92 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 30 A 7.57 5.35 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 31 V 9.12 4.88 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 0.72 0.00 0.00 0.98 0.00 0.00 32 V 9.02 4.89 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 1.01 0.00 0.00 0.96 0.00 0.00 33 I 9.36 4.83 1.87 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 1.15 0.52 0.52 0.00 0.00 34 T 8.51 4.88 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 1.21 0.00 0.00 35 F 8.55 4.61 0.00 1.67 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 36 E 8.75 4.48 0.00 1.90 1.87 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 2.27 2.39 0.00 37 K 8.40 4.01 0.00 1.90 1.99 0.00 1.85 0.00 0.00 1.74 0.00 0.00 3.08 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.42 1.44 7.81 38 E 7.68 5.02 0.00 2.12 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 2.64 2.57 0.00 39 D 8.07 4.57 0.00 2.87 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 40 H 9.03 3.92 0.00 3.18 3.39 0.00 5.66 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 41 T 8.30 3.71 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 1.16 0.00 0.00 42 L 7.67 4.10 0.00 1.66 1.41 0.86 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 43 G 7.21 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 0.00 0.00 0.00 0.00 0.00 0.00 44 N 7.08 3.89 0.00 2.59 2.75 0.00 0.00 7.24 8.64 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 45 L 6.76 4.03 0.00 1.76 1.64 0.86 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 46 I 7.57 3.59 1.78 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 1.49 0.97 0.96 0.00 0.00 47 R 7.31 3.82 0.00 1.82 2.01 0.00 3.39 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.97 0.00 48 A 7.87 4.11 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 49 E 8.13 3.92 0.00 2.11 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 2.38 2.34 0.00 50 L 7.84 4.15 0.00 1.82 1.76 0.98 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.22 4.18 0.00 1.71 1.69 0.86 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 52 N 8.29 4.50 0.00 2.88 2.86 0.00 0.00 6.88 7.97 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 53 D 7.55 4.48 0.00 2.93 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 54 R 8.54 4.14 0.00 1.86 2.00 0.00 3.27 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 1.65 1.66 0.00 55 K 8.57 4.19 0.00 2.38 2.30 0.00 1.41 0.00 0.00 0.74 0.00 0.00 2.40 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.41 1.35 7.81 56 V 7.63 4.18 2.36 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 0.77 0.00 0.00 1.04 0.00 0.00 57 L 8.73 4.40 0.00 1.74 1.79 0.96 0.73 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 58 F 8.01 4.90 0.00 3.03 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 59 A 7.75 5.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 A 8.04 4.55 1.08 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 61 Y 8.65 5.60 0.00 2.91 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 62 K 9.02 4.35 0.00 1.75 1.77 0.00 1.30 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.40 1.43 7.81 63 V 8.14 4.45 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 0.68 0.00 0.00 1.05 0.00 0.00 64 E 9.05 4.13 0.00 2.08 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 0.00 2.35 2.36 0.00 65 H 7.99 4.71 0.00 3.24 3.28 0.00 5.87 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 P 0.00 4.50 0.00 2.19 2.14 0.00 3.24 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.85 0.00 67 F 7.85 4.63 0.00 1.80 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 0.00 0.00 0.00 0.00 68 F 7.88 5.07 0.00 3.12 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 69 A 8.59 4.76 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 70 R 8.17 5.03 0.00 1.83 1.96 0.00 2.98 0.00 0.00 3.28 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 71 F 8.88 5.41 0.00 3.39 3.19 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 72 K 9.21 5.17 0.00 1.80 1.80 0.00 1.75 0.00 0.00 1.62 0.00 0.00 2.82 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.43 7.81 73 L 9.20 5.48 0.00 2.06 1.71 1.30 0.66 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 74 R 9.48 5.15 0.00 2.02 2.10 0.00 3.06 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.89 0.00 75 I 8.71 5.10 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 1.17 0.63 0.90 0.00 0.00 76 Q 9.57 5.36 0.00 2.15 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.68 0.00 0.00 0.00 0.00 0.00 2.28 2.45 0.00 77 T 8.44 5.29 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 0.94 0.00 0.00 78 T 8.76 4.07 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 1.26 0.00 0.00 79 E 8.68 4.22 0.00 1.98 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 2.31 2.32 0.00 80 G 9.27 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 81 Y 8.12 4.79 0.00 2.86 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 82 D 8.73 4.62 0.00 2.74 2.69 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 83 P 0.00 4.10 0.00 2.25 2.25 0.00 3.71 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.05 0.00 84 K 8.47 3.84 0.00 1.80 1.90 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.43 1.76 7.81 85 D 7.75 4.45 0.00 3.01 2.94 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 86 A 7.90 4.29 1.08 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 87 L 7.72 4.12 0.00 1.79 1.84 1.06 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 88 K 8.11 4.02 0.00 1.89 1.87 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.66 7.81 89 N 8.64 4.35 0.00 2.82 2.96 0.00 0.00 6.98 6.97 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 90 A 7.98 4.11 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 91 C 8.74 4.04 0.00 3.16 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 92 N 8.13 4.17 0.00 2.87 2.93 0.00 0.00 7.08 6.84 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 93 S 7.96 4.16 0.00 3.94 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 94 I 7.43 3.85 2.05 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.86 0.89 0.00 0.00 95 I 8.14 3.69 2.02 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 1.53 0.98 0.92 0.00 0.00 96 N 7.84 4.34 0.00 2.92 2.86 0.00 0.00 6.91 6.80 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 97 K 8.14 4.21 0.00 1.80 1.85 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.35 0.00 0.00 0.00 0.00 1.46 1.80 7.81 98 L 8.51 4.14 0.00 1.82 1.67 0.90 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 99 G 8.09 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 0.00 100 A 8.18 4.05 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 0.00 101 L 8.04 3.89 0.00 1.73 1.98 0.85 0.25 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 0.00 102 K 8.53 4.11 0.00 1.84 2.08 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.63 1.50 7.81 103 T 7.83 4.02 4.46 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 1.24 0.00 0.00 104 N 8.44 4.35 0.00 2.74 2.97 0.00 0.00 7.11 7.04 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 0.00 105 F 8.08 4.42 0.00 3.21 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 E 8.52 4.02 0.00 2.37 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 0.00 2.43 2.51 0.00 107 T 7.85 3.78 4.45 0.00 0.00 0.00 0.00 0.00 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 0.00 108 E 7.71 4.02 0.00 1.87 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 2.48 0.00 109 W 7.27 4.36 0.00 2.69 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 0.00 110 N 8.30 4.35 0.00 2.69 2.74 0.00 0.00 6.82 6.29 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 0.00 111 L 7.63 3.95 0.00 1.56 1.66 0.90 0.79 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 0.00 112 Q 12.00 4.47 0.00 1.56 1.32 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 2.03 2.09 0.00 113 T 8.08 4.37 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 1.12 0.00 0.00 114 L 8.37 3.94 0.00 1.74 1.74 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00