NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1C H 4.7332 8.4449 116.3059 55.8754 30.1369 173.6512 1D H 4.7891 8.6233 121.5317 54.5176 28.8164 172.0528 1E H 5.0337 7.6668 114.6670 54.0984 34.0748 173.0915 1F H 4.5941 8.9355 117.1753 56.1225 28.8040 174.3144 1G F 4.7856 8.4099 119.3739 57.8221 39.9736 174.1667 2 N 4.6132 8.5224 117.2227 52.4027 38.9346 174.3076 3 L 4.8068 8.0708 123.4660 51.8660 43.9667 174.7941 4 P 4.3994 0.0000 0.0000 61.7593 32.0115 174.3017 5 P 4.3760 0.0000 0.0000 62.5785 32.4895 176.6035 6 G 3.9934 8.7554 102.7861 45.7286 0.0000 172.1143 7 N 4.6027 7.8969 115.5020 51.2570 39.9578 174.1186 8 Y 4.8363 8.0644 116.1379 58.1345 38.7382 176.5319 9 K 4.0358 8.1514 121.7089 59.0070 32.2215 176.9510 10 K 4.7153 7.6157 114.5422 53.2496 35.3443 173.6948 11 P 4.7502 0.0000 0.0000 63.3624 32.4308 174.9490 12 K 4.8040 9.2448 119.1501 55.5877 37.5661 174.7188 13 L 5.1437 9.2683 121.0990 53.3253 44.5223 176.4299 14 L 4.9229 8.6467 123.3095 53.5968 42.8169 174.5119 15 Y 4.5798 9.2402 127.1612 56.7137 40.1928 173.7837 16 C 3.7566 8.6116 129.2119 58.0809 31.9269 174.3643 17 S 3.8161 8.1571 122.3875 61.1498 62.5940 175.2722 18 N 4.0972 8.0801 118.8474 56.0207 38.7094 175.2286 19 G 3.8355 7.5108 103.4955 44.6601 0.0000 173.1268 20 G 3.2757 7.7457 107.0979 43.8035 0.0000 173.4419 21 H 4.7169 7.2562 115.8136 54.4833 31.0273 174.1540 22 F 5.0838 9.1174 120.6014 55.9257 40.7787 175.2755 23 L 4.4949 9.0582 126.5206 55.4097 42.7309 176.1526 24 R 4.8665 9.5448 126.0085 54.5992 33.6968 173.8857 25 I 4.8157 8.2841 126.7610 59.4912 38.9466 175.7746 26 L 4.1468 8.9521 128.1876 53.2248 42.4891 176.7477 27 P 4.2006 0.0000 0.0000 65.9432 31.1955 177.5246 28 D 4.4932 7.9745 113.9392 53.7147 39.6060 176.9704 29 G 4.0213 8.3480 109.3656 45.3600 0.0000 173.4883 30 T 4.3277 7.8458 115.0403 61.4885 68.0329 173.2363 31 V 4.9009 8.0666 127.3224 61.1844 34.1216 174.3636 32 D 4.5888 8.5741 125.5443 52.9371 42.5589 174.0744 33 G 4.5522 8.8637 105.0667 45.3847 0.0000 172.4262 34 T 5.0048 8.8602 115.0838 60.5774 71.0520 174.6211 35 R 4.5733 8.8690 124.0146 56.5404 31.1892 176.1533 36 D 4.5579 8.1854 119.4886 53.7406 40.7750 176.8330 37 R 3.8749 8.5624 126.1973 57.6794 30.3323 177.6813 38 S 4.3412 8.6042 112.3453 58.7269 63.7745 174.2414 39 D 4.3159 7.4667 120.7340 55.4069 41.1380 175.9221 40 Q 4.5642 8.4127 122.6775 55.5504 29.1627 175.5512 41 H 4.9456 8.9208 115.5633 55.4644 29.3254 175.1163 42 I 4.4769 7.5982 112.1112 60.8103 38.4116 175.3133 43 Q 4.2224 7.9048 121.7090 55.8182 29.6514 174.7402 44 L 5.0139 9.0424 125.0033 52.8001 45.2617 175.4601 45 Q 4.7758 9.3628 125.7714 54.6527 30.4164 174.2817 46 L 5.1417 8.5608 126.9023 53.8308 43.4719 176.2850 47 S 4.5703 8.6707 115.5011 56.6476 67.0788 172.4074 48 A 4.5599 8.2669 123.0125 51.4904 20.0540 174.9693 49 E 3.7943 9.2821 126.5945 57.3831 29.2926 178.3137 50 S 4.6599 8.3748 113.2574 56.4921 65.6705 173.6944 51 V 3.8311 8.1496 121.4896 64.6563 31.6837 176.4170 52 G 3.8916 9.1423 114.3713 45.2670 0.0000 171.9874 53 E 5.1763 8.2988 120.2196 54.6495 31.9729 175.6901 54 V 4.8817 9.0453 117.3714 59.7180 36.2765 174.0541 55 Y 5.2997 8.8022 119.4849 56.5308 41.1946 175.4224 56 I 4.4899 8.6085 122.3796 59.6272 40.4119 174.0270 57 K 4.6503 8.7571 129.2327 54.0751 35.0987 175.1142 58 S 4.5705 8.7715 122.9207 58.2324 62.4012 174.6839 59 T 3.9540 8.3938 119.3468 64.7688 68.5253 175.8505 60 E 4.0128 8.3966 122.6652 59.0020 29.8211 177.2890 61 T 4.2505 7.4104 104.4056 60.8924 69.8287 175.6952 62 G 3.7946 8.4663 110.3910 45.4566 0.0000 173.7447 63 Q 4.4403 7.5352 118.9632 55.9189 30.3568 174.5000 64 Y 4.7766 8.8494 119.3296 55.8674 40.8723 175.2782 65 L 4.5078 9.0735 126.0453 55.4259 43.4543 175.5784 66 A 5.1204 8.6725 125.8309 50.7506 23.3277 174.3455 67 M 5.3084 8.5581 119.0087 53.9191 34.9450 175.5927 68 D 5.1942 9.4350 126.7848 52.4457 41.3395 176.9323 69 T 4.1288 8.5254 108.1575 63.9531 68.7676 174.5235 70 D 4.6590 8.4027 120.7934 53.9637 41.4611 176.9242 71 G 3.1384 8.4514 108.3445 45.1878 0.0000 172.6696 72 L 4.7950 8.0069 119.9782 53.0235 43.3287 176.4963 73 L 5.0174 8.5669 123.3973 55.3369 42.8176 175.5682 74 Y 4.8019 8.6768 118.3769 56.0824 41.7980 173.4951 75 G 4.1734 9.0992 109.3168 45.9482 0.0000 173.0892 76 S 5.0995 9.1800 120.8703 56.7024 64.1623 175.3189 77 Q 4.2444 9.0282 125.2088 58.2959 28.9187 176.3429 78 T 4.6897 7.6400 105.8608 58.8047 71.8390 171.4690 79 P 3.9670 0.0000 0.0000 61.4868 31.8391 174.7334 80 N 5.0051 8.1144 120.6524 50.9308 40.3372 174.1690 81 E 3.9136 8.8030 114.4225 59.7584 29.6674 178.4599 82 E 4.1450 8.6760 118.0821 58.0372 29.6913 177.5262 83 C 4.9181 7.9432 115.0954 58.8478 28.9896 173.2607 84 L 4.4642 7.0791 120.1536 53.4784 43.0284 175.7655 85 F 5.1703 8.8273 121.2385 55.5665 43.4680 174.6286 86 L 4.8043 9.1986 123.0867 53.9657 42.1873 175.5865 87 E 4.3733 8.7582 126.7510 55.4525 30.0998 175.8266 88 R 4.8052 8.4879 125.2631 54.0516 34.7850 174.7071 89 L 4.7623 8.7404 123.5140 55.1771 43.2259 175.7276 90 E 4.6863 9.0499 123.8394 55.3871 33.5942 174.7901 91 E 3.9533 9.8877 123.2726 57.3506 27.3806 174.6651 92 N 4.3402 8.6518 111.1479 54.3566 36.3545 173.9059 93 H 4.7542 8.6803 116.8777 57.8660 34.9014 173.5406 94 Y 4.6274 7.7727 115.9578 57.6824 39.7824 173.6318 95 N 5.4680 9.6573 118.8472 51.9480 41.1628 174.4770 96 T 5.2533 8.8103 113.0243 60.1382 72.9287 172.7209 97 Y 5.0819 8.5924 118.8702 56.6523 41.6739 174.1637 98 I 4.6670 8.4192 126.0476 59.1829 39.5469 175.4734 99 S 4.0602 8.9337 122.1680 58.7685 62.4501 174.0037 100 K 3.9700 8.8510 129.4470 59.4087 32.2710 178.6615 101 K 3.7935 7.9337 118.1174 59.1065 32.2320 176.8176 102 H 4.8413 8.3813 114.4161 54.2741 29.4902 176.3291 103 A 3.9471 7.8067 125.7163 55.2485 18.3234 180.8066 104 E 4.0020 8.0982 113.0428 58.5669 29.7253 178.1738 105 K 4.1981 7.6568 117.3340 55.3567 32.7091 175.7168 106 N 3.7878 7.6326 115.6533 53.8931 36.5462 175.0967 107 W 5.0873 7.7631 117.8943 56.1157 30.5290 177.2266 108 F 5.3507 9.0144 124.0467 55.7369 40.5789 175.9991 109 V 3.9733 8.9768 121.6772 62.9707 32.4797 175.2167 110 G 4.4116 8.5865 112.8587 45.2062 0.0000 171.4664 111 L 5.3205 8.4070 121.3835 52.4801 45.6560 177.2219 112 K 4.2435 9.0742 123.1191 55.4229 33.0926 178.3208 113 K 4.0177 8.3778 119.0233 59.4671 31.9196 178.3524 114 N 4.4348 7.9905 114.1318 53.7105 37.9177 175.8196 115 G 3.5261 8.1676 108.6708 45.0062 0.0000 173.2868 116 S 4.8242 8.6045 115.1227 56.2675 64.7868 173.7515 117 I 4.2121 8.0361 115.2146 61.0946 38.3415 174.9931 118 K 4.4514 8.5596 126.1744 54.4941 33.3995 176.0927 119 R 3.7508 8.7582 126.6337 56.7218 30.9309 177.6445 120 G 3.3993 8.8979 113.1432 48.3202 0.0000 174.2009 121 P 4.4245 0.0000 0.0000 64.3593 31.3809 177.3168 122 R 4.4266 7.8196 115.8115 56.0631 30.4299 176.1880 123 T 4.9530 7.5899 108.3465 59.7516 70.8351 173.5536 124 H 4.6609 7.9362 115.0227 54.9958 30.3730 173.1540 125 Y 3.9470 8.7191 118.4026 60.2494 38.0906 177.1334 126 G 4.0646 9.0524 111.3382 45.4422 0.0000 173.8936 127 Q 4.2682 7.4639 118.8599 55.0661 29.8326 177.2095 128 K 3.6039 8.3271 119.6534 58.7271 32.9154 179.3677 129 A 3.9580 8.0840 121.3678 54.0093 18.3220 178.5761 130 I 4.4474 6.7152 105.9829 60.6393 38.4808 175.5554 131 L 4.3274 7.2515 123.3906 54.1472 42.5256 175.9190 132 F 5.4747 9.4950 122.6255 55.5306 43.4373 174.0808 133 L 5.1637 9.1568 122.0572 52.9026 45.3026 173.6958 134 P 5.1386 0.0000 0.0000 62.3937 31.6266 175.1003 135 L 4.7422 9.1443 126.9505 52.6370 43.3594 175.0440 136 P 4.6573 0.0000 0.0000 62.8739 32.2628 176.7752 137 V 3.7823 8.1951 113.3265 61.8414 31.6160 176.2619 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 1C H 8.44 4.73 0.00 3.29 3.41 0.00 5.65 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 1D H 8.62 4.79 0.00 3.18 3.25 0.00 5.67 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1E H 7.67 5.03 0.00 3.18 3.25 0.00 5.71 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1F H 8.94 4.59 0.00 3.32 3.40 0.00 5.66 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1G F 8.41 4.79 0.00 2.86 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 2 N 8.52 4.61 0.00 2.95 2.79 0.00 0.00 6.87 6.74 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 3 L 8.07 4.81 0.00 1.47 1.40 0.62 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.40 0.00 2.16 2.11 0.00 3.67 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.91 0.00 5 P 0.00 4.38 0.00 2.17 2.09 0.00 3.74 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.93 0.00 6 G 8.76 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 7 N 7.90 4.60 0.00 2.62 2.66 0.00 0.00 5.90 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 Y 8.06 4.84 0.00 3.03 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 9 K 8.15 4.04 0.00 1.86 1.93 0.00 1.64 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.58 7.81 10 K 7.62 4.72 0.00 1.72 1.70 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.39 7.81 11 P 0.00 4.75 0.00 2.07 2.06 0.00 3.77 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 1.99 2.00 0.00 12 K 9.24 4.80 0.00 1.71 1.78 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.84 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.47 7.81 13 L 9.27 5.14 0.00 1.74 1.80 0.62 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.65 4.92 0.00 1.58 1.61 0.37 0.86 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 15 Y 9.24 4.58 0.00 3.15 3.09 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 0.00 0.00 0.00 16 C 8.61 3.76 0.00 2.45 2.44 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 17 S 8.16 3.82 0.00 3.91 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 18 N 8.08 4.10 0.00 2.57 2.62 0.00 0.00 6.73 7.98 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 19 G 7.51 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 0.00 0.00 0.00 20 G 7.75 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 H 7.26 4.72 0.00 3.03 3.17 0.00 5.80 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 F 9.12 5.08 0.00 3.04 3.07 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 23 L 9.06 4.49 0.00 1.64 1.55 0.93 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 24 R 9.54 4.87 0.00 1.90 2.04 0.00 3.21 0.00 0.00 3.37 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.72 0.00 25 I 8.28 4.82 1.84 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.73 0.89 0.00 0.00 26 L 8.95 4.15 0.00 1.82 1.57 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.20 0.00 2.00 2.10 0.00 3.56 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 28 D 7.97 4.49 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 29 G 8.35 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 30 T 7.85 4.33 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 1.35 0.00 0.00 31 V 8.07 4.90 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 0.89 0.00 0.00 0.91 0.00 0.00 32 D 8.57 4.59 0.00 2.88 2.75 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 0.00 0.00 0.00 0.00 33 G 8.86 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.86 5.00 4.32 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 1.35 0.00 0.00 35 R 8.87 4.57 0.00 1.91 2.05 0.00 3.24 0.00 0.00 3.13 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.47 0.00 36 D 8.19 4.56 0.00 2.82 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 37 R 8.56 3.87 0.00 1.77 1.78 0.00 3.35 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.67 0.00 38 S 8.60 4.34 0.00 3.90 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 39 D 7.47 4.32 0.00 2.80 2.63 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 40 Q 8.41 4.56 0.00 1.87 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.14 0.00 0.00 0.00 0.00 0.00 2.24 2.20 0.00 41 H 8.92 4.95 0.00 3.34 3.45 0.00 5.77 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.60 4.48 1.93 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.54 1.00 0.00 0.00 43 Q 7.90 4.22 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.89 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 44 L 9.04 5.01 0.00 1.49 1.44 0.82 0.49 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 45 Q 9.36 4.78 0.00 2.09 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.85 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 46 L 8.56 5.14 0.00 1.70 1.40 0.91 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.67 4.57 0.00 3.91 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 A 8.27 4.56 1.27 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 0.00 0.00 0.00 49 E 9.28 3.79 0.00 1.68 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 50 S 8.37 4.66 0.00 4.08 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 51 V 8.15 3.83 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 1.03 0.00 0.00 52 G 9.14 3.89 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 0.00 0.00 0.00 53 E 8.30 5.18 0.00 1.92 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 2.21 2.27 0.00 54 V 9.05 4.88 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 0.61 0.00 0.00 1.08 0.00 0.00 55 Y 8.80 5.30 0.00 2.97 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 56 I 8.61 4.49 1.74 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.59 0.68 0.00 0.00 57 K 8.76 4.65 0.00 1.12 1.48 0.00 1.26 0.00 0.00 0.61 0.00 0.00 2.62 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.98 0.89 7.81 58 S 8.77 4.57 0.00 3.86 3.66 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 59 T 8.39 3.95 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 60 E 8.40 4.01 0.00 1.97 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 2.26 2.36 0.00 61 T 7.41 4.25 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 62 G 8.47 3.79 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 0.00 0.00 0.00 63 Q 7.54 4.44 0.00 1.93 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.72 0.00 0.00 0.00 0.00 0.00 2.40 2.33 0.00 64 Y 8.85 4.78 0.00 2.89 2.88 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 65 L 9.07 4.51 0.00 1.62 1.51 0.81 0.34 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 66 A 8.67 5.12 0.62 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 67 M 8.56 5.31 0.00 2.20 2.22 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.65 0.00 68 D 9.44 5.19 0.00 2.98 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 69 T 8.53 4.13 4.37 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 1.34 0.00 0.00 70 D 8.40 4.66 0.00 2.77 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 71 G 8.45 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 L 8.01 4.79 0.00 1.95 1.62 0.88 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.57 5.02 0.00 1.56 1.61 0.88 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 74 Y 8.68 4.80 0.00 2.99 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 75 G 9.10 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 0.00 0.00 0.00 0.00 76 S 9.18 5.10 0.00 3.77 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 77 Q 9.03 4.24 0.00 2.15 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 2.44 2.33 0.00 78 T 7.64 4.69 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 1.22 0.00 0.00 79 P 0.00 3.97 0.00 0.86 0.49 0.00 3.46 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.25 0.00 80 N 8.11 5.01 0.00 2.89 2.91 0.00 0.00 5.96 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 81 E 8.80 3.91 0.00 2.11 2.23 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 2.35 2.33 0.00 82 E 8.68 4.14 0.00 2.24 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 2.37 2.43 0.00 83 C 7.94 4.92 0.00 3.24 3.27 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 0.00 84 L 7.08 4.46 0.00 1.36 1.29 0.75 -0.06 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 85 F 8.83 5.17 0.00 3.12 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 86 L 9.20 4.80 0.00 1.52 1.61 0.91 0.81 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 87 E 8.76 4.37 0.00 2.19 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 1.97 0.00 88 R 8.49 4.81 0.00 1.78 1.77 0.00 3.11 0.00 0.00 2.85 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.58 0.00 89 L 8.74 4.76 0.00 1.61 1.60 0.95 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 90 E 9.05 4.69 0.00 2.24 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 0.00 2.29 2.45 0.00 91 E 9.89 3.95 0.00 2.37 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 0.00 2.30 2.40 0.00 92 N 8.65 4.34 0.00 2.87 2.91 0.00 0.00 6.82 8.16 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 93 H 8.68 4.75 0.00 2.84 2.99 0.00 5.94 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 Y 7.77 4.63 0.00 3.00 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 95 N 9.66 5.47 0.00 2.98 2.54 0.00 0.00 6.91 7.05 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 96 T 8.81 5.25 4.52 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 1.35 0.00 0.00 97 Y 8.59 5.08 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 98 I 8.42 4.67 1.71 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.21 0.32 0.71 0.00 0.00 99 S 8.93 4.06 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 0.00 100 K 8.85 3.97 0.00 1.67 1.67 0.00 1.67 0.00 0.00 1.45 0.00 0.00 2.80 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.31 7.81 101 K 7.93 3.79 0.00 1.59 1.62 0.00 1.72 0.00 0.00 1.66 0.00 0.00 3.14 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.03 1.31 7.81 102 H 8.38 4.84 0.00 3.24 2.54 0.00 5.69 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 7.81 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 0.00 104 E 8.10 4.00 0.00 2.05 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 0.00 2.20 2.17 0.00 105 K 7.66 4.20 0.00 0.79 1.10 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.48 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.00 0.91 7.81 106 N 7.63 3.79 0.00 2.98 2.98 0.00 0.00 6.91 7.09 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 0.00 107 W 7.76 5.09 0.00 3.31 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.01 5.35 0.00 2.89 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 0.00 109 V 8.98 3.97 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 0.59 0.00 0.00 0.48 0.00 0.00 110 G 8.59 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 L 8.41 5.32 0.00 1.51 1.45 1.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 112 K 9.07 4.24 0.00 1.90 1.70 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.41 1.49 7.81 113 K 8.38 4.02 0.00 1.71 1.84 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.36 7.81 114 N 7.99 4.43 0.00 2.79 2.92 0.00 0.00 6.28 7.00 0.00 0.00 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 G 8.17 3.53 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 0.00 0.00 0.00 116 S 8.60 4.82 0.00 3.92 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 0.00 117 I 8.04 4.21 1.87 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 1.22 0.57 0.95 0.00 0.00 118 K 8.56 4.45 0.00 1.69 1.71 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.30 1.34 7.81 119 R 8.76 3.75 0.00 1.67 1.65 0.00 3.12 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 1.64 1.60 0.00 120 G 8.90 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 P 0.00 4.42 0.00 1.95 2.23 0.00 3.12 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.44 0.00 122 R 7.82 4.43 0.00 1.86 1.93 0.00 3.30 0.00 0.00 3.29 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.65 0.00 123 T 7.59 4.95 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 124 H 7.94 4.66 0.00 3.45 3.55 0.00 5.68 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 Y 8.72 3.95 0.00 3.11 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 G 9.05 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 0.00 127 Q 7.46 4.27 0.00 1.85 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.77 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 128 K 8.33 3.60 0.00 1.76 1.62 0.00 1.50 0.00 0.00 1.59 0.00 0.00 2.82 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.26 7.81 129 A 8.08 3.96 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 0.00 130 I 6.72 4.45 1.63 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.03 0.52 0.00 0.00 131 L 7.25 4.33 0.00 1.16 0.78 0.36 0.86 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 0.00 132 F 9.49 5.47 0.00 3.37 3.12 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 0.00 0.00 0.00 133 L 9.16 5.16 0.00 2.08 1.70 0.81 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 5.14 0.00 2.22 2.25 0.00 3.90 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 135 L 9.14 4.74 0.00 1.78 1.70 0.96 0.74 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 0.00 136 P 0.00 4.66 0.00 2.07 2.07 0.00 3.78 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 1.99 2.01 0.00 137 V 8.20 3.78 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 0.66 0.00 0.00 0.92 0.00 0.00