NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 M 4.5347 8.3044 120.2866 55.2805 33.9737 173.9537 3 V 4.2363 8.0683 121.5206 59.8478 33.8566 172.8310 4 W 4.6883 9.1546 135.0000 57.3358 31.6404 175.0359 5 T 3.9922 7.9956 123.4822 61.3650 67.2214 172.4424 6 P 4.4965 0.0000 0.0000 63.4738 32.2148 175.7457 7 V 4.0526 7.5458 120.0246 62.6166 32.7426 175.3052 8 N 4.1942 8.6835 125.3331 54.9111 36.0719 173.3995 9 N 5.0378 7.5669 108.6044 52.9296 40.0868 174.1911 10 K 4.0962 8.4876 116.8305 56.5377 32.7903 176.8122 11 M 4.9267 8.3711 121.4544 53.9428 35.0874 175.3158 12 F 4.6874 8.4400 116.7412 57.3847 41.1163 176.4944 13 E 3.4797 8.3773 122.4457 57.2514 27.9808 175.6307 14 T 3.8582 8.3446 122.3940 66.3959 68.7976 174.2749 15 F 4.5308 9.0795 124.0808 57.6350 36.5684 176.2858 16 S 4.5204 8.1648 114.7194 60.1529 63.1173 174.4849 17 Y 4.3851 8.2232 117.3984 58.3230 38.3383 175.4025 18 L 4.5867 7.5705 119.8401 52.5969 43.0859 174.7885 19 P 4.4486 0.0000 0.0000 61.8561 31.8400 174.9423 20 P 4.3111 0.0000 0.0000 62.7827 31.7432 176.5363 21 L 4.0140 8.3513 123.0964 54.6902 42.2058 177.9094 22 T 4.2075 8.2046 113.8884 61.2747 71.0138 175.2353 23 D 4.3424 8.5889 121.1739 57.6312 40.7294 178.8228 24 E 3.9203 8.0868 119.3260 59.2887 29.8418 178.7714 25 Q 3.9020 7.8666 117.7431 58.7425 28.7190 178.6025 26 I 3.7076 8.0586 120.9478 64.3221 37.1248 178.0798 27 A 4.0184 8.2344 121.5138 55.4066 18.3250 179.4180 28 A 3.9507 8.1502 119.0528 55.6208 18.5036 179.9477 29 Q 4.1207 7.9885 116.0808 58.9341 28.7764 178.9818 30 V 3.7576 8.2053 119.5138 66.1591 31.6175 177.7153 31 D 4.4159 8.4811 118.9203 57.5642 40.5204 178.1874 32 Y 4.1341 8.0696 119.4916 60.7462 38.8870 178.0659 33 I 3.9707 7.8533 120.2524 64.7123 37.3431 178.6151 34 V 3.5343 7.8373 118.5555 65.9381 31.1710 177.8432 35 A 3.9241 8.2970 119.6838 54.5399 18.2333 178.3217 36 N 4.1144 7.0546 112.4075 52.0702 38.8161 175.8381 37 G 3.7590 7.2466 108.2484 45.8835 0.0000 173.9790 38 W 4.9116 7.4272 119.0635 56.3106 30.5806 176.1937 39 I 4.3932 8.9866 122.7887 59.3297 37.7618 174.0539 40 P 4.8641 0.0000 0.0000 62.9137 32.7394 175.2687 41 C 5.0275 8.9549 121.9487 58.2618 35.6693 172.3879 42 L 5.3363 8.7404 123.7162 53.2021 44.3799 175.2142 43 E 5.6383 9.1953 121.3151 54.8805 34.0847 174.5988 44 F 5.6427 9.1378 116.3504 55.8072 42.1185 173.0680 45 A 4.5033 8.3127 120.4015 50.1380 22.6000 176.2188 46 E 4.2645 8.6125 118.6246 55.7147 30.5737 177.6960 47 A 4.2707 8.7527 123.0992 55.8203 18.4253 179.0660 48 D 4.5515 8.1310 113.6664 56.3609 41.1101 177.1510 49 K 4.5804 7.9873 117.1081 56.0416 32.5995 176.9086 50 A 3.8950 7.8735 123.6727 54.2264 18.8771 178.0272 51 Y 4.6091 7.4404 111.5178 55.6218 39.8797 175.6407 52 V 3.7178 8.3097 122.0319 63.7380 31.9717 175.2328 53 S 4.7819 8.9446 120.0093 57.4725 66.3659 173.7407 54 N 5.2628 8.5454 114.1697 52.5976 39.4857 176.4181 55 E 3.9969 8.2303 119.2482 59.5766 29.6001 178.9572 56 S 4.0481 8.7489 115.3140 60.4091 62.8358 175.9506 57 A 2.5800 7.5927 123.4586 53.5211 17.7788 178.9907 58 I 3.5359 6.9202 116.4495 63.6439 37.9840 177.0189 59 R 4.3487 7.3453 116.2634 55.4622 30.6196 176.1818 60 F 5.0405 7.2431 118.1116 55.9527 41.2293 177.4022 61 G 3.9960 8.2332 116.0776 46.2614 0.0000 175.4052 62 S 4.5912 8.4382 113.9521 58.4918 61.9475 174.4794 63 V 4.4287 7.2709 107.5567 61.1297 33.1040 177.6134 64 S 4.5195 8.1922 114.7198 59.4364 63.4929 173.5276 65 C 4.0392 8.0892 119.3493 61.6123 27.9757 173.1472 66 L 3.6335 8.4501 123.3563 55.6434 39.0063 173.1921 67 Y 4.3825 7.7149 119.3991 55.9468 39.9734 174.5399 68 Y 4.8696 7.2722 123.3474 56.1893 42.2637 174.8215 69 D 4.5014 8.8071 122.9962 55.3456 41.7457 177.0814 70 N 4.4802 8.9067 116.7902 54.0884 35.9868 176.0130 71 R 3.9529 7.9522 118.6287 59.2959 30.3746 177.1544 72 Y 4.3873 7.7118 114.8344 57.9838 38.3072 175.3015 73 W 5.0697 8.6998 124.5728 55.5092 32.5752 174.5668 74 T 4.3443 8.1643 117.1075 62.5379 69.6766 174.4157 75 M 4.6253 8.4944 126.5791 55.0549 33.1453 175.2922 76 W 4.6746 9.6093 135.0000 56.5131 31.1144 176.8192 77 K 3.4137 8.5157 129.2946 57.6928 30.3722 177.9759 78 L 4.9163 8.2193 125.7590 52.6632 44.8047 174.0539 79 P 4.3700 0.0000 0.0000 63.3188 32.2452 177.5782 80 M 4.3054 8.4958 123.3032 53.6855 30.4192 175.3577 81 F 4.4960 7.5253 118.8951 58.7719 39.9901 176.2446 82 G 3.9515 9.1646 112.5656 45.6637 0.0000 172.8886 83 C 4.2451 7.9244 120.2315 59.7030 31.6302 173.3840 84 R 4.5697 8.6284 124.9743 55.6259 31.1207 175.0010 85 D 4.6303 7.8179 117.9805 50.8890 42.7797 173.8518 86 P 4.3477 0.0000 0.0000 66.3448 30.9497 178.1452 87 M 4.1397 8.2643 118.0335 58.0123 31.8660 178.3697 88 Q 3.9652 8.0076 119.6467 59.1094 29.2386 178.5614 89 V 3.6322 7.7396 118.7442 66.0695 31.7695 177.8255 90 L 4.0388 7.9789 118.7589 57.9457 41.4079 179.7989 91 R 3.9894 8.3582 118.2472 59.2011 29.9063 178.9471 92 E 4.1300 8.1267 118.0837 59.0352 29.3881 179.2055 93 I 3.4831 7.7749 120.0526 64.3505 37.2450 178.2652 94 V 3.4571 7.5794 118.4989 66.2302 31.3957 177.9788 95 A 3.9393 8.0230 120.2530 55.0112 18.2067 179.2698 96 C 2.0000 7.6601 117.7978 62.1030 31.3584 176.0203 97 T 3.7560 7.6360 111.3761 64.2595 67.9921 176.5054 98 K 3.8105 7.5238 121.7845 59.3818 32.3539 178.4727 99 A 3.9361 7.4412 119.4616 53.6448 19.6943 177.6618 100 F 4.7437 7.7342 115.3911 55.0732 39.2460 173.9145 101 P 4.3800 0.0000 0.0000 64.3387 31.8421 177.8931 102 D 4.6513 8.0505 116.3244 53.8707 41.3154 175.5892 103 A 4.7305 7.3086 121.5554 50.6844 20.9070 177.0678 104 Y 4.2699 8.5919 117.8555 57.8339 39.3443 175.2199 105 V 5.1956 8.9557 123.4235 61.1236 35.1276 174.3171 106 R 4.9833 9.5026 123.8847 54.2560 33.0942 173.8549 107 L 4.8441 8.0000 123.1215 53.7848 43.9369 175.7320 108 V 4.7396 8.6938 118.5207 59.5032 36.2140 174.0241 109 A 4.8277 7.9372 121.5598 50.6285 22.9092 175.2174 110 F 5.2513 8.9528 119.4103 55.7541 42.4900 174.2498 111 D 5.3629 8.6679 122.8474 52.7450 42.2366 176.6017 112 N 4.7534 9.1694 123.0852 54.1765 38.3521 176.2312 113 Q 4.2256 8.8270 118.9312 58.7844 29.1295 177.5664 114 K 4.0069 8.2543 114.7388 57.0737 33.0060 176.5014 115 Q 3.4530 8.0878 119.0437 56.1899 27.2233 172.6797 116 V 4.5407 7.6700 116.8533 59.9561 35.1273 174.4409 117 Q 4.4771 8.7336 122.9612 56.5562 29.2859 175.5655 118 I 4.1613 8.1648 125.2638 61.4770 39.6112 174.3749 119 M 4.6097 6.7030 117.6330 54.0049 34.5063 173.6706 120 G 4.7670 8.1829 108.6238 47.3975 0.0000 172.0900 121 F 4.9410 7.0373 114.5275 55.4548 40.9384 172.6508 122 L 4.3999 8.8942 123.0408 55.5038 41.8705 176.7332 123 V 4.4380 8.7449 119.0869 61.8124 33.9517 176.0083 124 Q 4.5544 7.8233 121.3594 54.2963 32.3740 173.5162 125 R 4.2942 8.1708 122.1905 52.8872 32.5321 173.7457 126 P 4.1675 0.0000 0.0000 62.7631 31.6882 177.6279 127 K 4.0525 8.5073 120.2814 59.4293 32.1404 178.2986 128 T 4.0614 7.8016 107.1536 62.9043 69.3171 174.7758 129 A 4.2047 7.8103 126.2942 53.0437 18.5196 177.2405 130 R 4.6239 8.8620 121.0689 56.0621 31.2948 175.6939 131 D 4.9324 8.5086 116.2512 52.7586 39.7148 175.3186 132 F 5.3732 7.9016 113.1979 55.4034 41.0268 173.8235 133 Q 4.4064 8.3436 119.6688 52.9628 31.5164 174.2152 134 P 4.4965 0.0000 0.0000 62.2621 32.2770 176.8830 135 A 3.9450 8.7873 122.5543 55.3562 18.1699 178.9561 136 N 4.6022 8.0264 109.5772 53.2532 37.9505 175.4921 137 K 4.3906 7.7212 117.5498 56.3639 33.1992 177.4609 138 R 3.5286 7.5149 119.5141 57.7182 30.1267 176.6632 139 S 5.0657 7.5030 110.2159 56.3080 65.8220 174.2760 140 V 3.9836 8.2830 114.1354 61.7433 32.1851 175.6472 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 2 M 8.30 4.53 0.00 1.98 2.15 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.58 0.00 3 V 8.07 4.24 2.11 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 0.99 0.00 0.00 0.97 0.00 0.00 4 W 9.15 4.69 0.00 3.49 3.05 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 5 T 8.00 3.99 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 1.04 0.00 0.00 6 P 0.00 4.50 0.00 2.23 2.19 0.00 3.77 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 7 V 7.55 4.05 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 0.77 0.00 0.00 0.91 0.00 0.00 8 N 8.68 4.19 0.00 2.78 2.89 0.00 0.00 6.81 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 N 7.57 5.04 0.00 2.62 2.66 0.00 0.00 7.30 6.68 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 10 K 8.49 4.10 0.00 1.99 1.65 0.00 0.77 0.00 0.00 1.34 0.00 0.00 2.13 0.00 0.00 2.14 0.00 0.00 0.00 0.00 1.32 1.30 7.81 11 M 8.37 4.93 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.66 0.00 12 F 8.44 4.69 0.00 3.11 3.04 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 0.00 0.00 0.00 13 E 8.38 3.48 0.00 2.14 1.72 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 2.22 2.15 0.00 14 T 8.34 3.86 4.18 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 0.18 0.00 0.00 15 F 9.08 4.53 0.00 3.28 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 16 S 8.16 4.52 0.00 4.17 4.22 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 17 Y 8.22 4.39 0.00 3.04 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 18 L 7.57 4.59 0.00 1.78 1.60 0.81 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.45 0.00 2.04 2.01 0.00 3.71 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.15 0.00 20 P 0.00 4.31 0.00 2.05 2.03 0.00 3.71 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.19 0.00 21 L 8.35 4.01 0.00 1.59 1.49 0.31 0.56 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 22 T 8.20 4.21 4.22 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 1.19 0.00 0.00 23 D 8.59 4.34 0.00 2.70 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 24 E 8.09 3.92 0.00 2.02 1.92 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 2.35 2.39 0.00 25 Q 7.87 3.90 0.00 2.30 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 26 I 8.06 3.71 2.07 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.72 1.09 0.00 0.00 27 A 8.23 4.02 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 28 A 8.15 3.95 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 29 Q 7.99 4.12 0.00 2.47 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.75 0.00 0.00 0.00 0.00 0.00 2.35 1.91 0.00 30 V 8.21 3.76 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 1.10 0.00 0.00 1.13 0.00 0.00 31 D 8.48 4.42 0.00 2.95 2.76 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 32 Y 8.07 4.13 0.00 3.23 3.33 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 0.00 33 I 7.85 3.97 2.16 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.35 1.07 0.00 0.00 34 V 7.84 3.53 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 1.00 0.00 0.00 0.99 0.00 0.00 35 A 8.30 3.92 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 36 N 7.05 4.11 0.00 1.44 1.42 0.00 0.00 7.04 7.52 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 37 G 7.25 3.76 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 0.00 38 W 7.43 4.91 0.00 3.40 3.11 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 39 I 8.99 4.39 2.12 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.96 0.70 0.00 0.00 40 P 0.00 4.86 0.00 2.09 1.99 0.00 3.79 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.13 0.00 41 C 8.95 5.03 0.00 3.04 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 42 L 8.74 5.34 0.00 1.88 1.65 0.86 0.83 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 43 E 9.20 5.64 0.00 2.05 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 2.37 2.33 0.00 44 F 9.14 5.64 0.00 3.06 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 45 A 8.31 4.50 -0.20 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 0.00 0.00 46 E 8.61 4.26 0.00 2.18 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 2.29 2.27 0.00 47 A 8.75 4.27 1.49 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 0.00 0.00 48 D 8.13 4.55 0.00 2.70 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 49 K 7.99 4.58 0.00 1.58 1.68 0.00 1.70 0.00 0.00 1.83 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.33 1.42 7.81 50 A 7.87 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 Y 7.44 4.61 0.00 2.91 2.76 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 52 V 8.31 3.72 1.92 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 0.60 0.00 0.00 0.79 0.00 0.00 53 S 8.94 4.78 0.00 4.07 3.98 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 54 N 8.55 5.26 0.00 2.76 2.83 0.00 0.00 6.59 7.66 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 55 E 8.23 4.00 0.00 2.15 2.22 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 2.38 2.36 0.00 56 S 8.75 4.05 0.00 4.04 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 57 A 7.59 2.58 1.07 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 58 I 6.92 3.54 1.78 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 1.48 0.81 0.90 0.00 0.00 59 R 7.35 4.35 0.00 1.94 2.00 0.00 3.20 0.00 0.00 3.22 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 60 F 7.24 5.04 0.00 2.97 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 61 G 8.23 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 62 S 8.44 4.59 0.00 3.87 3.86 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 63 V 7.27 4.43 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 0.67 0.00 0.00 0.46 0.00 0.00 64 S 8.19 4.52 0.00 4.12 4.29 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 0.00 0.00 0.00 0.00 65 C 8.09 4.04 0.00 2.97 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 66 L 8.45 3.63 0.00 1.78 1.76 0.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 67 Y 7.71 4.38 0.00 2.94 3.04 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 0.00 0.00 0.00 68 Y 7.27 4.87 0.00 2.82 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 69 D 8.81 4.50 0.00 2.80 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 70 N 8.91 4.48 0.00 3.05 3.26 0.00 0.00 6.99 7.66 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 71 R 7.95 3.95 0.00 1.51 1.71 0.00 3.08 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 72 Y 7.71 4.39 0.00 3.05 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 73 W 8.70 5.07 0.00 3.07 3.18 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 74 T 8.16 4.34 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 0.94 0.00 0.00 75 M 8.49 4.63 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.78 0.00 76 W 9.61 4.67 0.00 3.64 3.29 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 0.00 0.00 0.00 0.00 77 K 8.52 3.41 0.00 1.70 0.87 0.00 1.74 0.00 0.00 1.55 0.00 0.00 2.70 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.75 0.21 7.81 78 L 8.22 4.92 0.00 1.61 1.60 1.01 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 79 P 0.00 4.37 0.00 0.75 1.87 0.00 3.67 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 1.97 2.16 0.00 80 M 8.50 4.31 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.54 0.00 81 F 7.53 4.50 0.00 3.11 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 G 9.16 3.95 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 0.00 0.00 0.00 83 C 7.92 4.25 0.00 3.07 2.99 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 84 R 8.63 4.57 0.00 1.81 1.87 0.00 3.22 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.79 0.00 85 D 7.82 4.63 0.00 2.70 2.52 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 86 P 0.00 4.35 0.00 2.33 2.34 0.00 3.77 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 2.10 2.18 0.00 87 M 8.26 4.14 0.00 2.11 2.28 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.70 0.00 88 Q 8.01 3.97 0.00 2.24 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 89 V 7.74 3.63 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 1.04 0.00 0.00 0.97 0.00 0.00 90 L 7.98 4.04 0.00 1.90 1.72 0.95 1.04 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 91 R 8.36 3.99 0.00 2.02 2.01 0.00 3.14 0.00 0.00 3.18 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.85 0.00 92 E 8.13 4.13 0.00 2.23 2.18 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 2.63 2.66 0.00 93 I 7.77 3.48 1.99 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 1.33 0.74 0.84 0.00 0.00 94 V 7.58 3.46 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 0.97 0.00 0.00 0.92 0.00 0.00 95 A 8.02 3.94 1.48 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 0.00 0.00 0.00 0.00 0.00 0.00 96 C 7.66 2.00 0.00 1.23 2.38 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 97 T 7.64 3.76 4.31 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 1.10 0.00 0.00 98 K 7.52 3.81 0.00 1.80 1.95 0.00 1.76 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.37 1.38 7.81 99 A 7.44 3.94 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 0.00 100 F 7.73 4.74 0.00 2.91 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 0.00 101 P 0.00 4.38 0.00 2.12 2.11 0.00 3.25 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.87 0.00 102 D 8.05 4.65 0.00 2.69 2.70 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 0.00 103 A 7.31 4.73 1.33 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 0.00 0.00 0.00 104 Y 8.59 4.27 0.00 2.50 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 0.00 105 V 8.96 5.20 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 1.11 0.00 0.00 0.88 0.00 0.00 106 R 9.50 4.98 0.00 1.81 1.87 0.00 2.33 0.00 0.00 2.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.33 0.00 107 L 8.00 4.84 0.00 1.49 0.74 0.85 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 108 V 8.69 4.74 1.65 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 0.43 0.00 0.00 0.41 0.00 0.00 109 A 7.94 4.83 1.17 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 0.00 0.00 110 F 8.95 5.25 0.00 2.99 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 0.00 111 D 8.67 5.36 0.00 2.42 2.41 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 0.00 112 N 9.17 4.75 0.00 2.94 3.06 0.00 0.00 6.31 7.39 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 0.00 113 Q 8.83 4.23 0.00 2.24 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.05 0.00 0.00 0.00 0.00 0.00 2.46 2.54 0.00 114 K 8.25 4.01 0.00 1.75 1.87 0.00 2.08 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.46 1.46 7.81 115 Q 8.09 3.45 0.00 2.13 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.74 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 116 V 7.67 4.54 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 0.59 0.00 0.00 0.91 0.00 0.00 117 Q 8.73 4.48 0.00 2.18 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.91 0.00 0.00 0.00 0.00 0.00 2.23 1.96 0.00 118 I 8.16 4.16 1.18 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.20 -0.43 0.00 0.00 119 M 6.70 4.61 0.00 2.18 2.26 0.00 0.00 0.00 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.82 0.00 120 G 8.18 4.77 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 0.00 121 F 7.04 4.94 0.00 3.24 3.23 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 0.00 122 L 8.89 4.40 0.00 1.56 1.61 0.64 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 123 V 8.74 4.44 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 0.60 0.00 0.00 0.88 0.00 0.00 124 Q 7.82 4.55 0.00 1.98 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.82 0.00 0.00 0.00 0.00 0.00 2.26 2.21 0.00 125 R 8.17 4.29 0.00 1.14 1.49 0.00 2.21 0.00 0.00 2.76 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.20 0.00 126 P 0.00 4.17 0.00 2.11 2.16 0.00 2.20 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.62 0.00 127 K 8.51 4.05 0.00 1.74 1.92 0.00 1.71 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.39 7.81 128 T 7.80 4.06 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 0.00 129 A 7.81 4.20 1.56 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 0.00 0.00 130 R 8.86 4.62 0.00 1.79 1.87 0.00 3.19 0.00 0.00 3.29 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 131 D 8.51 4.93 0.00 2.90 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 0.00 132 F 7.90 5.37 0.00 3.23 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 0.00 133 Q 8.34 4.41 0.00 1.87 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.07 0.00 0.00 0.00 0.00 0.00 2.28 2.02 0.00 134 P 0.00 4.50 0.00 2.20 2.19 0.00 3.53 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.88 0.00 135 A 8.79 3.95 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 0.00 136 N 8.03 4.60 0.00 2.83 2.94 0.00 0.00 5.88 7.13 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 0.00 137 K 7.72 4.39 0.00 1.72 1.73 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.31 1.43 7.81 138 R 7.51 3.53 0.00 1.75 0.66 0.00 3.04 0.00 0.00 3.26 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.48 0.00 139 S 7.50 5.07 0.00 4.00 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 0.00 140 V 8.28 3.98 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 0.60 0.00 0.00 0.95 0.00 0.00