NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2240 8.1633 120.2776 54.7230 33.3103 174.2638 2 K 4.0492 8.4913 126.1807 56.1092 32.5160 175.6909 3 G 3.9690 8.5919 113.5638 44.7066 0.0000 172.1365 4 D 4.5703 8.4539 119.6111 54.3267 41.9420 177.0193 5 T 3.8684 8.9028 122.8671 66.8897 68.5120 176.6033 6 K 3.8464 8.1739 120.9010 59.1602 32.2199 178.8167 7 V 3.9012 8.6559 119.0043 66.1821 31.3960 177.9546 8 I 3.7351 7.7677 119.3528 64.6650 36.8839 178.1688 9 N 4.2814 8.2047 117.1577 56.3303 38.2988 177.1029 10 Y 4.0729 8.0767 118.1689 61.1103 38.0480 178.4314 11 L 3.9203 8.6394 120.1341 58.1789 41.7072 179.5353 12 N 4.3548 8.5000 116.5206 55.9887 38.4055 177.4934 13 K 3.8640 8.2254 121.4191 59.3893 32.3393 178.8706 14 L 3.8074 8.1634 119.6377 57.6509 41.4235 179.0229 15 L 3.9438 7.9341 120.6012 58.2510 41.9147 179.2388 16 G 3.6232 8.1524 105.6024 47.8813 0.0000 175.3599 17 N 4.3467 8.0296 118.8340 56.1486 38.6164 177.2994 18 E 4.0885 8.3026 119.8914 59.6302 29.1651 179.5537 19 L 4.3242 8.2448 118.7349 57.3989 41.5159 180.0394 20 V 3.6523 7.7421 112.2707 64.1687 31.4415 178.1276 21 A 3.8463 8.1077 120.5585 55.2349 18.2005 179.5307 22 I 3.7577 8.2760 118.5012 64.8634 37.2081 178.4719 23 N 4.3970 7.8145 115.7858 56.4429 38.4505 177.4217 24 Q 3.8479 8.3681 121.3251 59.2536 29.0931 177.9341 25 Y 4.3316 8.2406 118.0369 60.9322 37.9814 177.7601 26 F 3.7953 8.4850 121.6439 61.1051 39.4523 176.8635 27 L 3.9196 8.2367 119.8767 58.5055 41.9081 178.3237 28 H 3.7563 8.1169 115.8285 58.8989 28.6057 177.0600 29 A 4.1305 8.3968 122.5065 55.8649 18.1073 180.0386 30 R 3.7590 7.7453 115.4003 58.7560 30.0771 179.3607 31 M 3.4009 7.8651 119.4492 58.1643 31.8967 178.5216 32 F 4.6112 7.6431 118.2308 60.5011 39.0370 177.6894 33 K 3.9332 8.3177 119.3590 59.4990 31.8277 177.9975 34 N 4.2187 7.8659 116.0490 56.7992 38.9114 176.2728 35 W 4.7548 7.8383 116.5548 57.4701 29.2668 177.2887 36 G 4.0209 8.3300 107.9654 45.8547 0.0000 175.1980 37 L 4.4846 8.0055 121.7636 53.2418 37.9883 177.1610 38 K 3.8547 7.9660 122.6293 59.8261 32.5293 177.5671 39 R 3.9222 8.2774 119.0604 59.2920 29.9748 178.4448 40 L 4.1434 7.7728 118.3165 57.2817 41.5702 178.7763 41 N 4.4348 8.1071 116.9108 56.7426 38.9641 176.5056 42 D 4.3161 8.0035 120.2866 57.4427 40.9898 179.1406 43 V 3.3248 7.6516 118.3632 66.0832 31.5069 177.9443 44 E 3.7502 8.3366 118.4667 59.2774 29.2829 178.5950 45 Y 3.9194 8.1656 119.7713 61.2291 38.9013 178.1810 46 H 4.2111 8.2447 116.3824 58.3099 28.6787 177.5970 47 E 3.6780 7.7708 120.9269 58.6583 29.1753 178.7628 48 S 4.1011 8.0289 113.7654 61.5845 62.3560 176.2452 49 I 3.5537 7.2939 122.1469 64.4772 36.8474 177.8600 50 D 4.2726 7.7897 119.4451 57.7651 40.6398 179.1299 51 E 4.1913 8.3116 118.6331 59.4258 29.3629 179.3593 52 M 4.0604 8.0451 119.0366 58.3068 32.0007 178.7996 53 K 3.9341 8.2159 118.7766 59.6911 32.1958 179.0806 54 H 4.0798 8.2439 116.1369 58.8045 28.6318 177.5035 55 A 4.2532 8.3089 122.7230 55.4156 18.1622 178.9628 56 D 4.3146 8.2550 116.4025 57.7378 41.2377 178.8053 57 R 3.8528 7.8943 118.2995 59.4556 30.0382 178.5896 58 Y 4.3095 7.7972 116.3969 61.2608 37.8816 178.8574 59 I 3.7850 8.2945 121.0095 64.6330 37.2350 178.4629 60 E 4.0610 8.5022 119.4805 59.0272 29.2265 179.5094 61 R 4.0036 8.0984 118.9709 59.5361 30.2202 178.2579 62 I 3.7417 8.4060 119.9568 64.7248 37.1586 178.3236 63 L 4.0258 8.1503 119.4546 57.7473 41.2129 179.4530 64 F 4.3677 8.1508 119.5905 61.2815 39.7423 176.6664 65 L 4.3056 8.3911 117.2680 54.0763 40.9633 177.1586 66 E 3.6917 8.0255 117.5463 57.4746 27.2060 174.4043 67 G 4.0002 8.1858 108.5852 43.9387 0.0000 173.4311 68 L 4.5314 8.0478 119.1552 52.0515 42.1343 175.1830 69 P 4.3852 0.0000 0.0000 62.5586 31.7784 175.8951 70 N 4.7243 9.5141 122.0661 52.3978 38.8394 173.8842 71 L 4.6079 8.3062 124.2430 54.5596 42.4121 177.5777 72 Q 4.1087 8.6186 122.2757 58.3055 29.2945 175.9625 73 D 4.7087 8.0258 116.5624 52.8079 42.0624 175.3154 74 L 4.5819 8.2522 125.0007 52.7273 44.1098 176.5849 75 G 3.8065 8.4737 115.4098 44.8849 0.0000 171.7292 76 K 4.1092 8.3112 120.6749 55.7205 32.4677 176.5969 77 L 4.0979 8.3796 126.8412 54.3730 42.2799 176.0715 78 N 4.8222 8.6758 121.6382 51.9771 39.8912 174.2504 79 I 3.8810 8.5121 126.6411 63.9700 37.7664 177.8056 80 G 4.3794 8.1469 103.4278 45.4494 0.0000 172.8890 81 E 4.7268 8.7759 117.6598 56.0400 31.1648 176.0775 82 D 4.9148 7.6680 118.1399 50.3203 43.9725 175.8836 83 V 4.0335 8.5673 119.4291 66.6046 31.3306 177.6560 84 E 3.8386 8.1657 117.9408 59.4433 29.4644 178.0436 85 E 4.0110 8.4955 119.5214 59.5442 29.5785 178.6979 86 M 4.1161 8.2965 116.9949 58.1286 31.5083 178.5051 87 L 4.1513 8.4790 120.5599 57.7199 41.8314 179.5463 88 R 3.9029 8.5064 118.9750 59.2800 29.9748 178.5918 89 S 4.1140 8.1104 113.2623 61.2834 62.3900 175.6966 90 D 4.2253 8.1888 121.6925 57.2879 40.5267 178.4550 91 L 4.0021 8.2241 120.5661 58.3677 42.0400 178.9708 92 A 3.9902 8.0589 120.5453 54.9635 18.2390 179.4041 93 L 3.8916 7.8302 118.9567 58.2469 42.0707 179.1235 94 E 4.0341 8.4152 118.5972 59.4968 29.6012 179.1912 95 L 4.0202 8.1933 119.2005 58.1282 41.7166 179.4711 96 D 4.5211 8.4976 118.9806 57.2059 40.6467 179.0969 97 G 3.6278 8.2192 106.2762 47.6065 0.0000 175.7258 98 A 4.0236 8.3947 123.4949 54.6529 18.4901 179.3833 99 K 3.8104 7.9665 117.8673 60.0315 32.3177 178.5579 100 N 4.3822 8.1308 116.3797 56.3864 38.4355 177.4039 101 L 3.9984 8.1023 120.3231 57.9380 41.6321 179.6842 102 R 3.9078 8.3410 118.3633 59.2475 30.0967 178.8126 103 E 3.8651 8.0814 118.3142 59.2415 29.6574 178.7449 104 A 2.8476 7.7582 120.7629 54.7365 18.3512 179.7185 105 I 3.7497 7.9011 118.6341 64.4243 36.9453 178.8971 106 G 3.5942 7.6039 105.4958 47.8514 0.0000 174.8992 107 Y 4.1656 7.9946 122.5375 59.6721 38.8905 177.2614 108 A 3.7977 8.2908 122.2158 55.4225 18.5430 179.0968 109 D 4.0856 7.9221 116.4002 57.2772 41.4373 178.3088 110 S 4.1929 7.7161 113.9016 59.9339 63.0569 175.6645 111 V 4.0197 6.8558 114.0162 60.7525 31.5941 175.5519 112 H 2.7995 6.9829 113.8490 56.7002 26.9400 176.4568 113 D 4.5213 7.3455 121.1897 53.4678 37.7203 176.2221 114 Y 4.2786 7.3903 121.0838 60.6814 38.3766 178.1833 115 V 3.7961 7.8455 113.1729 64.1631 31.8127 178.3925 116 S 4.1616 8.3336 114.9939 61.5768 62.6010 176.6461 117 R 3.8745 8.1465 121.2597 59.5089 29.8374 177.9579 118 D 4.3074 8.4866 118.0713 57.6844 41.3483 177.7450 119 M 3.9779 8.2630 118.7904 59.0981 32.0761 178.1427 120 M 4.1289 8.2353 118.8415 58.3891 32.1504 178.7721 121 I 3.7337 8.1050 120.3157 64.2967 37.3538 178.3146 122 E 3.9626 8.1750 119.4538 59.4494 29.3043 179.4330 123 I 3.5511 7.5666 119.5478 64.2240 37.0653 178.1169 124 L 3.9426 8.2175 121.5144 58.2687 42.0072 178.8656 125 R 3.8748 8.0869 118.4824 59.7380 29.9577 178.2345 126 D 4.3567 7.9595 118.2133 57.3247 40.7624 178.6238 127 E 3.9992 8.2460 119.2748 59.2929 29.3776 178.9812 128 E 4.1236 8.6141 119.9081 59.0364 29.6985 178.9816 129 G 3.7035 7.9913 105.4148 48.2505 0.0000 175.2424 130 H 4.4281 8.1856 118.8765 58.7009 28.6906 177.8413 131 I 3.8084 8.3627 121.9505 64.5185 36.9741 177.7829 132 D 4.3863 8.4625 118.9785 57.2088 41.0284 178.2837 133 W 4.1216 8.4215 128.6352 60.4362 30.7221 177.8311 134 L 3.7448 8.4726 119.1272 57.9311 41.1531 179.3412 135 E 3.9072 8.5001 118.6815 59.7208 29.3064 179.6731 136 T 3.7877 7.9071 115.5480 66.5642 68.5476 176.4614 137 E 3.7512 7.6241 120.3107 59.4478 29.2115 179.3659 138 L 3.7760 7.7976 118.9590 58.0173 41.5767 179.5064 139 D 4.3729 8.1010 118.6321 57.2293 40.6471 178.6893 140 L 3.9617 8.1639 119.9098 57.8185 41.5709 179.5333 141 I 3.4141 7.4400 119.6593 64.4613 36.7406 178.5402 142 Q 3.9354 7.3502 116.1791 58.8214 28.6428 178.5671 143 K 4.1292 8.1253 118.8923 59.0808 32.2693 178.5335 144 M 4.3802 8.3766 114.7881 54.1285 32.4403 177.3961 145 G 4.0840 7.5925 105.0508 45.8176 0.0000 174.4166 146 L 3.9649 8.3690 120.7433 58.0053 42.1707 179.1964 147 Q 3.9939 8.0418 117.4559 59.2949 28.7690 178.4697 148 N 4.3429 8.1906 116.7845 56.4222 38.3501 176.6400 149 Y 3.9323 7.8729 119.9566 60.6870 39.1455 177.8792 150 L 4.0891 8.3573 120.1982 57.9509 41.6390 179.2802 151 Q 3.8994 8.1979 119.1512 59.0701 28.7361 177.8763 152 A 4.0953 7.6742 119.9472 53.6578 18.6054 178.2492 153 Q 4.3253 7.8505 115.9407 55.6121 29.1881 177.5870 154 I 3.8797 7.3722 121.9797 63.3942 37.4240 176.6261 155 R 4.6484 7.5497 118.0176 53.6981 32.2836 175.6414 156 E 4.1259 8.7310 118.9057 56.6733 29.5635 176.6594 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 4.22 0.00 1.50 1.76 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.47 0.00 2 K 8.49 4.05 0.00 1.71 1.71 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.47 7.81 3 G 8.59 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 0.00 0.00 0.00 4 D 8.45 4.57 0.00 2.77 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 T 8.90 3.87 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 1.18 0.00 0.00 6 K 8.17 3.85 0.00 1.72 1.96 0.00 1.42 0.00 0.00 0.97 0.00 0.00 2.54 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.79 1.01 7.81 7 V 8.66 3.90 2.34 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 1.17 0.00 0.00 1.21 0.00 0.00 8 I 7.77 3.74 2.05 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 1.55 0.67 0.92 0.00 0.00 9 N 8.20 4.28 0.00 2.48 2.69 0.00 0.00 7.07 7.10 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 10 Y 8.08 4.07 0.00 3.30 2.92 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 11 L 8.64 3.92 0.00 2.03 1.80 1.14 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.50 4.35 0.00 2.79 2.82 0.00 0.00 6.71 7.87 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 13 K 8.23 3.86 0.00 1.81 1.98 0.00 1.59 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.43 1.45 7.81 14 L 8.16 3.81 0.00 1.00 1.11 0.95 0.52 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 15 L 7.93 3.94 0.00 1.67 1.83 1.06 1.10 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 16 G 8.15 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 17 N 8.03 4.35 0.00 2.97 2.91 0.00 0.00 7.05 7.72 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 18 E 8.30 4.09 0.00 2.26 2.27 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 2.74 2.89 0.00 19 L 8.24 4.32 0.00 1.66 1.73 0.94 0.88 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 20 V 7.74 3.65 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 0.88 0.00 0.00 0.89 0.00 0.00 21 A 8.11 3.85 1.45 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 0.00 0.00 0.00 22 I 8.28 3.76 2.04 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.00 0.90 0.00 0.00 23 N 7.81 4.40 0.00 2.81 2.86 0.00 0.00 6.75 7.85 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 24 Q 8.37 3.85 0.00 1.98 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.83 0.00 0.00 0.00 0.00 0.00 2.19 2.06 0.00 25 Y 8.24 4.33 0.00 3.22 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 26 F 8.48 3.80 0.00 3.42 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 27 L 8.24 3.92 0.00 1.96 1.58 0.89 0.88 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 28 H 8.12 3.76 0.00 3.54 3.22 0.00 5.72 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 8.40 4.13 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 30 R 7.75 3.76 0.00 1.71 1.87 0.00 3.23 0.00 0.00 3.05 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.57 0.00 31 M 7.87 3.40 0.00 0.89 1.63 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.12 0.00 32 F 7.64 4.61 0.00 3.29 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 33 K 8.32 3.93 0.00 1.97 1.87 0.00 1.57 0.00 0.00 1.60 0.00 0.00 2.82 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.42 7.81 34 N 7.87 4.22 0.00 2.67 2.69 0.00 0.00 7.35 8.22 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 35 W 7.84 4.75 0.00 3.74 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 36 G 8.33 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 0.00 0.00 0.00 37 L 8.01 4.48 0.00 2.21 1.68 1.09 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.97 3.85 0.00 1.99 1.82 0.00 1.59 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.57 7.81 39 R 8.28 3.92 0.00 2.00 2.02 0.00 3.47 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 40 L 7.77 4.14 0.00 1.70 1.12 1.14 0.32 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 41 N 8.11 4.43 0.00 3.12 2.99 0.00 0.00 7.09 9.26 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 42 D 8.00 4.32 0.00 2.87 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 43 V 7.65 3.32 1.75 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 -0.60 0.00 0.00 0.80 0.00 0.00 44 E 8.34 3.75 0.00 2.20 2.16 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 2.64 3.12 0.00 45 Y 8.17 3.92 0.00 2.94 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 46 H 8.24 4.21 0.00 3.23 3.22 0.00 5.66 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 7.77 3.68 0.00 1.16 1.12 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 1.93 2.03 0.00 48 S 8.03 4.10 0.00 3.96 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 49 I 7.29 3.55 1.85 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.55 0.85 0.00 0.00 50 D 7.79 4.27 0.00 2.84 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 51 E 8.31 4.19 0.00 2.17 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 2.69 2.79 0.00 52 M 8.05 4.06 0.00 2.04 2.23 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.55 0.00 53 K 8.22 3.93 0.00 1.88 1.83 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.64 7.81 54 H 8.24 4.08 0.00 3.57 3.48 0.00 5.65 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 8.31 4.25 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.25 4.31 0.00 2.92 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 57 R 7.89 3.85 0.00 1.81 1.75 0.00 3.13 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.71 0.00 58 Y 7.80 4.31 0.00 3.25 2.97 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 59 I 8.29 3.79 2.04 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 1.58 0.83 0.95 0.00 0.00 60 E 8.50 4.06 0.00 2.02 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 2.35 2.64 0.00 61 R 8.10 4.00 0.00 2.15 2.21 0.00 3.36 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.85 0.00 62 I 8.41 3.74 1.94 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 1.59 0.81 0.96 0.00 0.00 63 L 8.15 4.03 0.00 2.09 1.80 0.95 0.94 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 64 F 8.15 4.37 0.00 3.00 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 8.39 4.31 0.00 1.68 1.62 0.99 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.03 3.69 0.00 2.05 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 2.17 2.28 0.00 67 G 8.19 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 8.05 4.53 0.00 1.62 1.63 0.92 0.98 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 69 P 0.00 4.39 0.00 2.06 2.03 0.00 3.66 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 2.06 2.11 0.00 70 N 9.51 4.72 0.00 2.59 2.81 0.00 0.00 7.09 7.73 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 71 L 8.31 4.61 0.00 1.63 1.65 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.62 4.11 0.00 1.97 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.55 6.71 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 73 D 8.03 4.71 0.00 2.68 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 74 L 8.25 4.58 0.00 1.52 1.50 0.91 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.47 3.81 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 0.00 0.00 0.00 76 K 8.31 4.11 0.00 1.72 1.73 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.45 7.81 77 L 8.38 4.10 0.00 1.64 1.56 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 78 N 8.68 4.82 0.00 2.63 2.70 0.00 0.00 7.23 8.01 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 79 I 8.51 3.88 1.89 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 1.34 0.92 0.93 0.00 0.00 80 G 8.15 4.38 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 0.00 81 E 8.78 4.73 0.00 2.00 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 2.28 2.31 0.00 82 D 7.67 4.91 0.00 2.77 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 V 8.57 4.03 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 1.23 0.00 0.00 1.23 0.00 0.00 84 E 8.17 3.84 0.00 2.02 1.91 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 2.32 2.26 0.00 85 E 8.50 4.01 0.00 2.25 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 0.00 2.35 2.36 0.00 86 M 8.30 4.12 0.00 2.35 1.77 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.95 0.00 87 L 8.48 4.15 0.00 2.01 1.78 1.25 0.60 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 88 R 8.51 3.90 0.00 2.11 1.94 0.00 3.09 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 89 S 8.11 4.11 0.00 4.07 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 90 D 8.19 4.23 0.00 3.13 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 91 L 8.22 4.00 0.00 1.81 1.90 0.98 0.95 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 92 A 8.06 3.99 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 93 L 7.83 3.89 0.00 1.89 1.81 0.90 0.81 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 94 E 8.42 4.03 0.00 2.28 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 2.62 2.72 0.00 95 L 8.19 4.02 0.00 2.03 1.75 0.96 1.43 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 96 D 8.50 4.52 0.00 2.70 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 97 G 8.22 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.39 4.02 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 99 K 7.97 3.81 0.00 2.05 2.03 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.51 7.81 100 N 8.13 4.38 0.00 2.99 2.92 0.00 0.00 7.14 6.75 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 0.00 101 L 8.10 4.00 0.00 2.00 1.74 0.98 1.05 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 R 8.34 3.91 0.00 1.95 1.99 0.00 3.14 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.97 0.00 103 E 8.08 3.87 0.00 2.08 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 2.37 2.38 0.00 104 A 7.76 2.85 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 0.00 105 I 7.90 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 1.46 0.95 0.91 0.00 0.00 106 G 7.60 3.59 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 Y 7.99 4.17 0.00 3.19 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 0.00 108 A 8.29 3.80 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 0.00 109 D 7.92 4.09 0.00 2.85 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 0.00 110 S 7.72 4.19 0.00 3.99 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 V 6.86 4.02 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 0.58 0.00 0.00 0.63 0.00 0.00 112 H 6.98 2.80 0.00 3.19 3.32 0.00 5.84 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.35 4.52 0.00 2.63 2.46 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 0.00 114 Y 7.39 4.28 0.00 3.10 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 0.00 115 V 7.85 3.80 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 0.92 0.00 0.00 0.97 0.00 0.00 116 S 8.33 4.16 0.00 4.16 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 0.00 117 R 8.15 3.87 0.00 1.95 2.20 0.00 3.34 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 1.67 0.00 118 D 8.49 4.31 0.00 2.94 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 0.00 119 M 8.26 3.98 0.00 2.23 2.03 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.44 0.00 120 M 8.24 4.13 0.00 2.15 2.26 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.79 0.00 121 I 8.11 3.73 2.00 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 1.53 0.99 0.91 0.00 0.00 122 E 8.17 3.96 0.00 2.13 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 2.32 2.34 0.00 123 I 7.57 3.55 1.94 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.56 0.71 0.00 0.00 124 L 8.22 3.94 0.00 1.84 1.86 0.99 0.77 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 R 8.09 3.87 0.00 2.03 2.15 0.00 3.15 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 1.63 1.69 0.00 126 D 7.96 4.36 0.00 3.03 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 8.25 4.00 0.00 2.16 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 2.57 2.53 0.00 128 E 8.61 4.12 0.00 2.26 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 2.34 2.36 0.00 129 G 7.99 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.19 4.43 0.00 3.66 3.59 0.00 5.65 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 8.36 3.81 2.12 0.00 0.00 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 1.50 0.94 0.97 0.00 0.00 132 D 8.46 4.39 0.00 2.96 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 8.42 4.12 0.00 3.56 3.49 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 0.00 134 L 8.47 3.74 0.00 1.96 1.74 1.31 1.57 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 0.00 135 E 8.50 3.91 0.00 2.12 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 2.33 2.48 0.00 136 T 7.91 3.79 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 1.17 0.00 0.00 137 E 7.62 3.75 0.00 1.54 1.64 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 1.47 1.47 0.00 138 L 7.80 3.78 0.00 1.70 1.62 0.88 1.28 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 0.00 139 D 8.10 4.37 0.00 2.78 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 L 8.16 3.96 0.00 1.88 1.85 0.96 0.76 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 0.00 141 I 7.44 3.41 1.71 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.32 0.69 0.00 0.00 142 Q 7.35 3.94 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.96 0.00 0.00 0.00 0.00 0.00 2.47 2.49 0.00 143 K 8.13 4.13 0.00 1.71 1.86 0.00 1.68 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.64 7.81 144 M 8.38 4.38 0.00 2.18 2.20 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 2.66 2.83 0.00 145 G 7.59 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 0.00 146 L 8.37 3.96 0.00 1.74 1.66 0.94 0.68 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 Q 8.04 3.99 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.66 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 148 N 8.19 4.34 0.00 2.97 2.89 0.00 0.00 6.65 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 7.87 3.93 0.00 3.05 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 0.00 150 L 8.36 4.09 0.00 2.03 1.70 1.07 0.99 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 0.00 151 Q 8.20 3.90 0.00 2.11 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 152 A 7.67 4.10 1.22 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 0.00 0.00 0.00 153 Q 7.85 4.33 0.00 1.95 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.76 0.00 0.00 0.00 0.00 0.00 2.08 2.20 0.00 154 I 7.37 3.88 2.04 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 1.31 0.46 0.91 0.00 0.00 155 R 7.55 4.65 0.00 1.75 1.81 0.00 3.20 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 156 E 8.73 4.13 0.00 2.10 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 2.26 2.29 0.00