NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 4.7038 8.4249 119.2030 53.4326 39.3160 173.1143 4 I 4.7452 7.9628 126.2025 59.2211 41.2915 173.2199 5 T 5.0298 9.1891 122.8360 61.6556 72.5598 172.4198 6 I 4.8112 8.3385 125.4755 59.3805 41.2946 173.9789 7 Y 4.7698 9.3086 128.1877 57.8483 38.1676 173.6300 8 H 5.2344 9.5422 125.3526 54.1971 33.1577 173.0471 9 N 4.8587 8.8328 122.7717 51.0068 40.0579 173.2399 10 P 4.1893 0.0000 0.0000 64.9045 31.5658 177.1818 11 A 4.4210 8.3852 120.4231 51.8643 18.7846 176.9169 12 S 4.7915 8.0229 113.6825 57.0257 64.2709 174.8208 13 G 3.7071 8.7179 116.5352 48.3608 0.0000 175.0790 14 T 3.9295 7.8736 117.6805 66.4511 68.5325 176.5748 15 S 4.1950 8.4551 115.3094 61.3016 62.4325 176.3470 16 R 4.0218 8.4784 121.2316 59.5187 29.8642 178.7774 17 N 4.5572 8.7006 116.6003 56.6378 38.4538 177.6541 18 T 3.7758 8.0542 117.1150 66.4683 68.5134 176.3853 19 L 3.9034 8.0265 122.2082 58.3812 42.0245 178.9832 20 E 4.0584 8.4281 118.4060 59.5836 29.1579 179.2625 21 M 3.5231 7.7267 118.2654 57.8976 32.1431 178.4531 22 I 3.7880 7.9990 120.4902 64.5983 37.3551 178.6746 23 R 4.3011 8.0882 120.1753 58.6338 29.8289 178.1832 24 N 4.6000 8.4995 116.1732 55.0881 38.8253 175.8935 25 S 4.7173 7.7287 113.9655 59.0367 63.7071 174.6830 26 G 4.0636 8.4311 111.4117 45.3888 0.0000 173.4157 27 T 4.5585 7.5102 108.6361 59.3335 71.7058 172.6082 28 E 4.3587 8.6089 124.7056 54.5009 29.7876 174.2075 29 P 4.7056 0.0000 0.0000 62.3144 33.1753 176.0553 30 T 4.0225 8.8374 118.2500 63.7698 69.4727 173.6138 31 I 4.7577 8.3192 126.9669 59.7003 39.2061 174.8951 32 I 4.2452 8.3840 128.8341 59.5293 39.3204 175.7036 33 L 4.7612 8.7895 127.8268 52.8104 40.1281 176.8979 34 Y 4.5771 8.3272 121.1228 58.9395 38.4202 178.5391 35 L 3.8945 7.0163 119.7305 56.9185 41.8908 177.5502 36 E 4.4164 7.9707 116.2021 57.1113 31.1304 175.9139 37 N 5.0523 8.2584 115.8375 50.5821 38.8242 171.9651 38 P 4.7681 0.0000 0.0000 61.3938 32.7325 175.5167 39 P 4.5413 0.0000 0.0000 62.3814 31.9590 176.7558 40 S 4.3705 8.3681 114.5937 58.0093 64.9010 175.2592 41 R 3.8411 8.4341 121.8192 59.8325 29.8168 178.1413 42 D 4.3400 8.0945 118.0701 57.4873 40.7659 178.4110 43 E 3.9407 8.3592 119.7486 59.1228 29.5900 178.5928 44 L 3.8358 8.3199 120.9338 57.9829 42.1465 179.0716 45 V 3.5334 7.9977 118.4495 65.8561 31.3771 177.9409 46 K 3.9426 8.0458 119.3534 59.3998 31.9538 178.6730 47 L 3.9441 8.2004 119.6302 57.9287 41.3270 179.6335 48 I 3.6281 7.6913 118.2258 64.2297 37.2080 177.9055 49 A 4.1383 8.0021 121.5517 55.5528 18.0075 179.5195 50 D 4.3472 8.1783 116.0919 57.4550 39.7512 178.5757 51 M 4.5173 7.9530 120.5543 55.3441 31.6006 177.4645 52 G 3.8833 7.7265 106.8740 46.1769 0.0000 173.1435 53 I 4.6009 6.9011 109.6260 58.0058 40.4186 175.2030 54 S 4.4077 8.2711 115.4143 57.6763 64.1036 175.0772 55 V 3.7054 8.4483 120.6852 66.3779 31.2319 178.2181 56 R 3.9491 8.0719 117.6003 59.3213 29.7455 177.9240 57 A 4.1308 7.9253 119.3121 54.0858 18.5649 177.9543 58 L 4.1118 7.9360 118.8369 56.3736 42.6618 176.3249 59 L 4.5758 7.6436 119.4021 55.0300 42.0037 176.7320 60 R 4.1227 8.7844 125.7400 55.7977 30.3561 176.4392 61 K 3.0177 8.2567 125.5173 55.1239 34.4814 175.8851 62 N 4.5681 8.3073 115.1719 54.9786 37.1925 174.3701 63 V 4.5569 6.9234 108.3401 57.9549 36.4942 175.4206 64 E 4.0989 9.0339 123.2702 58.5118 29.3683 177.8110 65 P 4.1777 0.0000 0.0000 65.8219 31.0769 177.6743 66 Y 3.7650 7.8871 118.9358 60.3850 38.5452 177.6190 67 E 4.0486 8.2350 119.4283 59.8263 29.4904 179.4797 68 Q 4.0851 8.2105 116.7706 58.4757 28.9670 177.3131 69 L 4.0109 7.8532 115.7820 54.3971 41.9689 176.9888 70 G 3.8996 7.8150 107.2193 46.5261 0.0000 175.8541 71 L 3.4732 7.1127 119.9996 55.8362 41.6075 178.6516 72 A 4.2335 7.2044 120.4868 54.1521 18.6070 177.8809 73 E 4.2470 7.8466 114.9948 56.3284 30.5720 177.2505 74 D 4.7571 8.3572 123.2072 53.3931 39.6972 175.9788 75 K 4.4524 7.6967 115.0928 55.3786 33.9285 176.2281 76 F 5.0784 7.9223 117.0251 55.1065 42.3848 175.6637 77 T 4.2556 9.1110 116.2322 61.3146 70.6977 175.4528 78 D 4.4250 8.6290 121.2869 57.9142 40.8466 178.9928 79 D 4.3364 8.0693 118.7314 57.2272 40.8770 178.5765 80 Q 3.8611 8.1506 118.7403 58.9554 28.6699 178.9325 81 L 4.1747 8.1101 119.8667 57.8507 41.6509 179.5630 82 I 3.6951 8.0077 119.9241 64.6675 37.0707 178.2792 83 D 4.3411 8.1473 119.5627 57.2535 40.5672 178.8513 84 F 4.4702 8.0199 118.4137 60.8910 38.7404 177.5240 85 M 4.1723 8.4412 118.5253 58.5436 31.5322 178.8807 86 L 4.0694 7.8116 118.1520 57.6252 41.8880 178.9958 87 Q 4.2925 7.9865 116.4719 57.1246 30.3302 176.2481 88 H 4.9455 8.1054 116.8851 53.3896 29.7436 172.2147 89 P 4.7267 0.0000 0.0000 64.2572 31.9251 178.7523 90 I 3.8697 7.8370 117.4475 63.5011 38.1319 176.7598 91 L 4.1072 8.3832 120.3939 57.0916 41.6162 176.4359 92 I 4.2210 7.6930 120.1201 60.5397 37.0403 175.8017 93 N 4.7239 8.8370 127.1492 53.6411 39.7509 173.9068 94 R 4.7455 8.1121 117.1595 53.9360 32.9644 172.5764 95 P 4.9137 0.0000 0.0000 61.3056 33.9104 174.3958 96 I 4.7066 8.1490 122.1757 60.4451 39.0971 174.7263 97 V 4.9196 8.6919 126.3799 61.0258 34.7012 174.0994 98 V 5.0127 9.2098 127.7806 61.4257 34.0209 174.4761 99 T 5.1684 9.0044 117.2470 59.0918 72.2856 173.0420 100 P 4.3259 0.0000 0.0000 65.1415 31.3257 177.7892 101 L 4.2350 8.2911 116.9927 54.3875 42.2693 176.7911 102 G 4.0330 6.3882 106.0584 45.5444 0.0000 170.6105 103 T 5.2113 7.6478 114.6074 61.8661 72.3367 173.8288 104 R 4.6308 8.7949 123.3571 54.2211 35.1987 174.2509 105 L 4.4225 8.5102 124.5294 54.9861 42.1273 177.1713 106 C 4.4991 9.0971 128.3520 58.3315 26.7654 172.1848 107 R 4.5864 7.6688 116.6062 53.2531 32.5287 173.9612 108 P 4.5920 0.0000 0.0000 61.6910 32.6142 177.4671 109 S 4.3794 8.9384 115.3501 60.9445 62.5784 175.9583 110 E 4.0567 8.0963 119.3905 57.8047 29.4394 178.5465 111 V 3.5824 7.8022 120.4681 66.2054 31.5059 177.9823 112 V 3.6528 7.9762 118.6856 64.5018 30.8013 178.2583 113 L 4.0060 7.6960 118.9993 57.5885 41.3876 178.6796 114 D 4.5076 8.1072 118.8191 56.4232 40.8643 177.1497 115 I 4.2808 7.3320 109.4457 60.3816 38.6627 175.6372 116 L 4.1951 7.6659 122.3426 54.6238 42.0951 176.9932 117 Q 4.1123 8.8204 123.0919 58.2049 29.0634 176.2368 118 D 4.8821 7.6738 115.7020 51.9021 42.9181 176.1660 119 A 4.1734 8.3051 125.4573 51.7677 19.1148 177.4498 120 Q 4.1877 8.4802 118.8639 56.5441 29.1199 177.8140 121 K 4.1264 8.8753 121.4603 57.9775 32.4298 176.4753 122 G 4.0998 7.4758 103.8405 45.2256 0.0000 172.9105 123 A 4.6327 8.8195 121.9814 52.4583 19.2425 177.1259 124 F 4.6968 9.3022 122.0338 56.6075 42.6978 173.8036 125 T 4.9470 7.4286 121.7482 61.2454 71.1787 174.2619 126 K 4.3341 8.9648 126.2073 56.1440 32.9310 177.6610 127 E 3.8669 9.1078 120.6743 59.8389 29.3353 178.4220 128 D 4.5528 8.0226 114.7714 53.4366 39.6193 177.0025 129 G 3.8519 8.1586 108.6542 45.1446 0.0000 173.5515 130 E 3.9973 8.4572 122.1174 55.7949 29.8337 176.0035 131 K 4.4183 8.5758 126.5102 56.3635 33.2491 176.1802 132 V 4.2388 9.1682 123.0749 64.0188 32.9982 175.8343 133 V 4.8640 7.5111 112.1115 59.4026 35.1888 175.5459 134 D 5.0724 8.6011 123.3409 52.1765 41.5570 176.7733 135 E 3.9740 8.6732 117.2189 59.5578 29.5327 178.4781 136 A 4.0055 7.9830 120.4806 53.6441 18.5949 178.1139 137 G 4.0325 8.2342 103.5082 44.9281 0.0000 173.5735 138 K 4.0539 8.3932 122.1637 55.4063 32.7511 176.0100 139 R 4.3864 8.4734 126.6112 56.2677 30.1719 176.0887 140 L 4.2223 8.6066 125.1967 55.0967 41.6265 176.8866 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 3 N 8.42 4.70 0.00 2.69 2.84 0.00 0.00 6.79 7.06 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 4 I 7.96 4.75 1.85 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 1.33 0.74 0.95 0.00 0.00 5 T 9.19 5.03 4.20 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 0.85 0.00 0.00 6 I 8.34 4.81 1.85 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 1.29 1.78 0.92 0.00 0.00 7 Y 9.31 4.77 0.00 2.92 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 8 H 9.54 5.23 0.00 3.26 3.20 0.00 5.72 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 N 8.83 4.86 0.00 2.95 2.76 0.00 0.00 7.13 7.47 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 10 P 0.00 4.19 0.00 2.04 2.11 0.00 3.60 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.05 0.00 11 A 8.39 4.42 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 12 S 8.02 4.79 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 13 G 8.72 3.71 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 0.00 0.00 0.00 14 T 7.87 3.93 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 1.24 0.00 0.00 15 S 8.46 4.19 0.00 3.96 4.20 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 16 R 8.48 4.02 0.00 2.07 2.03 0.00 3.23 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.94 0.00 17 N 8.70 4.56 0.00 2.97 3.01 0.00 0.00 7.10 6.89 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 18 T 8.05 3.78 4.39 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 1.19 0.00 0.00 19 L 8.03 3.90 0.00 1.73 1.80 0.85 0.68 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 20 E 8.43 4.06 0.00 2.39 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 0.00 2.68 2.62 0.00 21 M 7.73 3.52 0.00 1.62 1.83 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.37 0.00 22 I 8.00 3.79 1.96 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 1.47 0.69 0.92 0.00 0.00 23 R 8.09 4.30 0.00 2.00 2.00 0.00 3.36 0.00 0.00 3.20 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.65 0.00 24 N 8.50 4.60 0.00 3.04 3.08 0.00 0.00 6.87 8.30 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 25 S 7.73 4.72 0.00 4.28 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.43 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 27 T 7.51 4.56 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 28 E 8.61 4.36 0.00 1.92 1.90 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 2.24 2.33 0.00 29 P 0.00 4.71 0.00 2.07 2.00 0.00 3.79 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.95 0.00 30 T 8.84 4.02 4.17 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 1.14 0.00 0.00 31 I 8.32 4.76 1.85 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 1.29 0.71 0.94 0.00 0.00 32 I 8.38 4.25 1.35 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 1.10 0.57 0.99 0.00 0.00 33 L 8.79 4.76 0.00 1.69 1.56 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 34 Y 8.33 4.58 0.00 3.22 3.42 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 35 L 7.02 3.89 0.00 1.36 1.59 0.73 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 36 E 7.97 4.42 0.00 1.92 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 2.18 2.23 0.00 37 N 8.26 5.05 0.00 2.73 2.75 0.00 0.00 6.68 8.89 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 38 P 0.00 4.77 0.00 2.24 2.23 0.00 3.81 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 2.03 2.00 0.00 39 P 0.00 4.54 0.00 2.15 2.01 0.00 3.82 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.68 0.00 40 S 8.37 4.37 0.00 4.08 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 41 R 8.43 3.84 0.00 1.89 1.96 0.00 3.17 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 42 D 8.09 4.34 0.00 2.73 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 43 E 8.36 3.94 0.00 2.11 2.08 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 2.41 2.39 0.00 44 L 8.32 3.84 0.00 1.77 1.75 0.79 0.72 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 45 V 8.00 3.53 2.21 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 0.93 0.00 0.00 0.98 0.00 0.00 46 K 8.05 3.94 0.00 1.88 1.93 0.00 1.70 0.00 0.00 1.81 0.00 0.00 3.13 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.48 7.81 47 L 8.20 3.94 0.00 1.74 1.59 0.47 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 48 I 7.69 3.63 1.84 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 1.41 0.50 0.94 0.00 0.00 49 A 8.00 4.14 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 50 D 8.18 4.35 0.00 2.64 2.74 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 0.00 0.00 0.00 51 M 7.95 4.52 0.00 2.02 2.21 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.51 0.00 52 G 7.73 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 53 I 6.90 4.60 1.86 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 1.33 0.76 0.94 0.00 0.00 54 S 8.27 4.41 0.00 4.02 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 55 V 8.45 3.71 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 1.07 0.00 0.00 0.99 0.00 0.00 56 R 8.07 3.95 0.00 1.97 1.95 0.00 3.29 0.00 0.00 3.42 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.78 0.00 57 A 7.93 4.13 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 58 L 7.94 4.11 0.00 1.72 1.81 0.88 0.33 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 59 L 7.64 4.58 0.00 1.82 1.80 0.99 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 60 R 8.78 4.12 0.00 1.77 1.80 0.00 3.45 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 61 K 8.26 3.02 0.00 1.45 1.21 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.79 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.59 1.08 7.81 62 N 8.31 4.57 0.00 2.77 2.83 0.00 0.00 7.13 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 63 V 6.92 4.56 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 0.77 0.00 0.00 1.01 0.00 0.00 64 E 9.03 4.10 0.00 2.03 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 2.44 2.24 0.00 65 P 0.00 4.18 0.00 2.17 2.04 0.00 3.68 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 2.08 2.02 0.00 66 Y 7.89 3.76 0.00 2.95 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 67 E 8.24 4.05 0.00 2.24 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 2.40 2.52 0.00 68 Q 8.21 4.09 0.00 1.93 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.95 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 69 L 7.85 4.01 0.00 1.19 0.99 0.11 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 70 G 7.81 3.90 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 71 L 7.11 3.47 0.00 0.27 0.98 0.53 -0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 72 A 7.20 4.23 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 73 E 7.85 4.25 0.00 2.08 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 0.00 2.36 2.40 0.00 74 D 8.36 4.76 0.00 2.67 2.61 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 75 K 7.70 4.45 0.00 0.89 1.15 0.00 1.62 0.00 0.00 1.60 0.00 0.00 2.52 0.00 0.00 2.52 0.00 0.00 0.00 0.00 1.15 1.26 7.81 76 F 7.92 5.08 0.00 3.01 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 77 T 9.11 4.26 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 1.22 0.00 0.00 78 D 8.63 4.43 0.00 2.76 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 79 D 8.07 4.34 0.00 2.75 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 80 Q 8.15 3.86 0.00 2.41 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 81 L 8.11 4.17 0.00 1.92 1.77 0.99 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 82 I 8.01 3.70 1.97 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 1.51 0.64 0.89 0.00 0.00 83 D 8.15 4.34 0.00 2.70 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 84 F 8.02 4.47 0.00 3.20 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 85 M 8.44 4.17 0.00 2.07 2.30 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.63 0.00 86 L 7.81 4.07 0.00 1.77 1.73 0.91 1.03 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 87 Q 7.99 4.29 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.21 0.00 0.00 0.00 0.00 0.00 2.55 2.53 0.00 88 H 8.11 4.95 0.00 3.28 3.20 0.00 5.62 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 P 0.00 4.73 0.00 2.25 2.25 0.00 3.92 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 2.15 2.09 0.00 90 I 7.84 3.87 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.66 0.96 0.00 0.00 91 L 8.38 4.11 0.00 1.90 1.77 0.95 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 92 I 7.69 4.22 1.84 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 1.08 0.51 0.62 0.00 0.00 93 N 8.84 4.72 0.00 2.88 2.67 0.00 0.00 7.01 8.37 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 94 R 8.11 4.75 0.00 1.78 1.67 0.00 3.34 0.00 0.00 3.30 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.72 0.00 95 P 0.00 4.91 0.00 2.19 2.29 0.00 4.03 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.86 0.00 96 I 8.15 4.71 1.83 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.54 0.90 0.00 0.00 97 V 8.69 4.92 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 0.97 0.00 0.00 0.94 0.00 0.00 98 V 9.21 5.01 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 1.06 0.00 0.00 1.06 0.00 0.00 99 T 9.00 5.17 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 1.24 0.00 0.00 100 P 0.00 4.33 0.00 2.06 2.17 0.00 3.66 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.11 0.00 101 L 8.29 4.24 0.00 1.78 1.71 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 102 G 6.39 4.03 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 0.00 0.00 0.00 103 T 7.65 5.21 4.24 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 1.29 0.00 0.00 104 R 8.79 4.63 0.00 1.67 1.73 0.00 3.27 0.00 0.00 3.08 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 105 L 8.51 4.42 0.00 1.59 1.57 0.86 0.90 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 0.00 106 C 9.10 4.50 0.00 2.86 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 0.00 107 R 7.67 4.59 0.00 1.72 1.82 0.00 3.40 0.00 0.00 3.25 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 108 P 0.00 4.59 0.00 2.44 2.19 0.00 3.70 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 2.07 1.95 0.00 109 S 8.94 4.38 0.00 4.05 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 0.00 110 E 8.10 4.06 0.00 2.16 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 2.36 2.31 0.00 111 V 7.80 3.58 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 1.03 0.00 0.00 0.95 0.00 0.00 112 V 7.98 3.65 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 0.66 0.00 0.00 0.89 0.00 0.00 113 L 7.70 4.01 0.00 1.69 1.75 0.89 0.85 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 0.00 114 D 8.11 4.51 0.00 2.74 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 0.00 115 I 7.33 4.28 1.86 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 1.34 0.65 0.90 0.00 0.00 116 L 7.67 4.20 0.00 1.62 1.62 0.84 0.90 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 0.00 117 Q 8.82 4.11 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.74 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 118 D 7.67 4.88 0.00 2.77 2.56 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 0.00 0.00 0.00 0.00 119 A 8.31 4.17 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 0.00 120 Q 8.48 4.19 0.00 2.07 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.02 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 121 K 8.88 4.13 0.00 1.85 1.88 0.00 1.75 0.00 0.00 1.85 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.39 7.81 122 G 7.48 4.10 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 0.00 0.00 0.00 123 A 8.82 4.63 1.26 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 0.00 0.00 0.00 124 F 9.30 4.70 0.00 3.16 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 0.00 125 T 7.43 4.95 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 1.18 0.00 0.00 126 K 8.96 4.33 0.00 1.95 1.81 0.00 1.88 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.68 1.59 7.81 127 E 9.11 3.87 0.00 1.96 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 2.36 2.52 0.00 128 D 8.02 4.55 0.00 2.78 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 0.00 129 G 8.16 3.85 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 0.00 0.00 0.00 130 E 8.46 4.00 0.00 2.13 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 2.33 2.30 0.00 131 K 8.58 4.42 0.00 1.80 1.74 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.42 7.81 132 V 9.17 4.24 2.50 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 1.11 0.00 0.00 1.13 0.00 0.00 133 V 7.51 4.86 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 0.81 0.00 0.00 1.03 0.00 0.00 134 D 8.60 5.07 0.00 2.86 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 0.00 135 E 8.67 3.97 0.00 1.99 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 0.00 2.32 2.25 0.00 136 A 7.98 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 0.00 137 G 8.23 4.03 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 0.00 0.00 0.00 138 K 8.39 4.05 0.00 1.83 1.90 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.38 7.81 139 R 8.47 4.39 0.00 1.82 1.85 0.00 3.53 0.00 0.00 3.29 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 140 L 8.61 4.22 0.00 1.70 1.57 0.94 0.77 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