NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.2230 8.3149 119.9951 56.4298 34.1073 175.7579 3 K 4.0597 7.9305 119.5416 55.6468 33.1286 170.9455 4 V 3.9890 8.7003 121.0725 62.6140 33.8586 173.4022 5 V 4.6076 7.7232 113.5737 60.4375 34.4033 175.0006 6 A 4.6255 8.0550 119.6061 51.1720 22.1336 176.4189 7 V 4.6573 7.8934 118.4240 59.8783 30.5371 175.2293 8 V 3.6855 8.3758 124.7977 62.9324 32.9818 177.1478 9 K 4.8887 8.0765 127.4446 54.8942 32.3904 175.1129 10 L 4.1104 7.3560 118.1370 56.1702 42.4648 178.1265 11 Q 4.6540 7.9665 112.5326 56.1762 30.3972 172.1770 12 L 4.6805 7.4609 121.0902 52.2752 43.4766 175.6621 13 P 4.6518 0.0000 0.0000 62.0962 32.1939 175.4035 14 A 4.9933 8.2545 122.6636 55.4009 18.3358 176.2476 15 G 4.4430 9.7543 114.8215 47.1273 0.0000 174.9295 16 K 4.2577 7.9350 123.5941 55.8473 29.5608 175.3227 17 A 4.7658 7.8885 125.3555 49.3403 19.1942 175.2940 18 T 4.6814 7.5888 111.3034 58.2897 71.4427 174.8623 19 P 4.2653 0.0000 0.0000 64.5872 31.4500 176.5134 20 A 4.1164 7.8131 123.4559 51.1280 18.8845 175.3950 21 P 4.5742 0.0000 0.0000 62.2854 32.0925 174.6623 22 P 4.5125 0.0000 0.0000 63.5873 30.7949 177.4282 23 V 4.1832 7.3143 115.1516 63.3201 31.6359 175.7177 24 G 3.9504 7.8143 106.9946 46.6776 0.0000 174.1964 25 P 4.1321 0.0000 0.0000 64.7682 31.4141 177.0381 26 A 4.3932 7.2382 117.3380 52.4375 19.4658 177.3511 27 L 4.6520 7.7533 115.4282 54.6556 42.2816 177.3324 28 G 4.0702 8.0157 106.9934 45.0454 0.0000 175.0363 29 Q 4.6565 7.9279 117.9208 56.0912 29.4211 175.7721 30 H 4.4312 8.3991 116.2442 56.0191 30.8784 175.6851 31 G 3.6914 8.2585 104.2122 45.0777 0.0000 172.7808 32 A 2.6758 7.5876 122.1145 51.9289 18.4792 178.8900 33 N 4.3328 6.2948 122.5548 53.1607 36.6566 175.1420 34 I 3.9002 7.7221 112.2958 61.8120 37.7244 177.1103 35 M 4.6553 7.7526 118.7458 55.4641 31.8936 175.2002 36 E 4.6685 8.5771 120.3246 56.1609 30.2607 176.4605 37 F 4.7798 8.1935 118.2068 59.5694 41.2275 177.0126 38 V 3.9385 8.1717 117.0309 64.2331 31.4322 176.0619 39 K 4.4209 8.0208 118.7885 56.1905 34.1373 182.6035 40 A 4.3130 7.4711 118.7417 54.8482 18.4040 178.6604 41 F 4.3073 9.0046 121.2299 60.7595 39.1608 176.4292 42 N 4.1856 8.0202 114.3527 53.7883 38.2491 176.7158 43 A 3.9998 7.1666 121.6876 54.8956 19.0817 179.4833 44 A 4.0853 8.0974 119.6700 54.2878 17.8998 178.8785 45 T 4.5176 6.9512 106.0802 61.5975 69.2026 176.2131 46 A 3.9945 7.6221 125.1466 54.7064 18.8168 179.2855 47 N 4.3437 7.2028 114.5457 56.7942 38.6609 176.0172 48 M 3.9761 7.1598 118.3315 54.4588 32.2492 175.7567 49 G 3.7398 6.2588 115.3307 44.9254 0.0000 174.8333 50 D 4.7674 7.1171 122.3300 50.9108 41.4228 174.8848 51 A 3.1996 8.6369 135.0000 52.3640 17.7955 177.2648 52 I 3.7887 7.9678 122.1909 61.6737 37.7956 175.5586 53 V 4.4588 7.9359 121.8321 60.4712 33.5426 173.3240 54 P 5.1621 0.0000 0.0000 62.7308 32.5389 175.8094 55 V 4.7971 8.0674 120.0112 60.7626 34.5316 173.6839 56 E 5.2784 8.8392 124.2363 53.5889 30.9645 173.1163 57 I 5.3262 7.9101 125.0937 60.0329 38.5192 174.4316 58 T 4.7454 8.3751 124.7672 62.2279 70.1104 174.5914 59 I 4.2704 7.3140 124.0146 59.1549 39.8073 174.4210 60 Y 4.9896 7.5472 122.2834 57.4392 40.3487 175.4425 61 A 4.4110 8.8904 122.3114 55.2665 19.9223 179.0231 62 D 4.4599 8.1575 112.6038 54.4475 39.3311 176.2564 63 R 3.8110 7.9421 117.8808 57.7980 27.8735 175.8835 64 S 5.0052 7.9451 111.0186 56.7960 66.5173 172.5781 65 F 5.3646 8.7145 115.0584 55.0936 40.6318 173.8965 66 T 4.5026 7.7073 111.3574 61.4500 70.7099 171.8607 67 F 5.7450 8.2008 115.8254 57.0298 40.4394 173.1761 68 V 4.3486 8.2751 123.2480 61.0520 34.1853 174.0068 69 T 5.3031 8.1285 116.0047 59.3091 71.0613 174.6264 70 K 4.5807 8.4281 124.7610 56.3201 34.8525 176.3287 71 T 4.4465 8.3924 112.2781 60.3163 70.5428 172.4996 72 P 4.5501 0.0000 0.0000 61.3328 32.2333 174.1598 73 P 4.0748 0.0000 0.0000 62.1445 31.8460 177.0558 74 A 4.1941 8.6839 125.1262 54.6158 18.4214 178.0703 75 S 4.4585 7.9104 108.2916 58.9919 62.7009 174.6723 76 Y 4.3746 8.1994 121.9385 60.2294 38.0826 176.5747 77 L 3.9734 8.1062 121.1278 58.6806 40.1792 178.5030 78 I 3.9808 7.5261 117.0444 62.4061 38.4310 176.8303 79 R 4.1565 8.2355 119.3616 58.3699 29.9644 178.1953 80 K 3.9713 7.6826 116.4033 57.7376 34.1187 176.9902 81 A 4.3950 7.1029 124.3105 50.1590 17.9891 176.4868 82 A 4.6520 7.9082 126.7683 51.4972 21.3851 177.1419 83 G 3.8372 8.2870 103.8243 46.7314 0.0000 173.9025 84 L 4.7200 7.8450 118.6569 52.9964 43.9311 175.6185 85 E 4.4568 8.4420 117.0758 57.4027 32.0163 176.6726 86 K 4.6068 7.7352 115.7887 54.6832 36.3989 178.3681 87 G 3.7701 9.0322 111.0124 46.3289 0.0000 175.2968 88 A 4.3140 9.3774 117.4679 52.7055 20.8871 178.0796 89 H 4.3924 8.7722 120.6326 58.2851 27.2428 176.3967 90 K 4.4724 7.4921 121.1190 52.7959 31.8714 173.5697 91 P 4.1813 0.0000 0.0000 63.6442 30.6914 174.6895 92 G 4.1953 8.5101 114.2340 45.3212 0.0000 175.4261 93 R 3.9734 8.1283 123.3729 57.3948 31.0919 176.1537 94 E 4.5345 7.4840 116.3689 54.0137 31.0149 174.8921 95 K 4.6563 8.5005 125.5697 54.7777 33.2312 176.9079 96 V 4.1851 8.4704 121.2907 61.7990 32.6838 174.6316 97 G 4.1401 7.4078 104.7259 47.7301 0.0000 171.4376 98 R 4.8811 8.0306 114.7974 55.5578 32.2557 174.2643 99 I 4.9406 8.0472 119.4882 59.5644 41.3160 176.4718 100 T 5.0260 8.8169 116.3960 60.4757 69.5988 175.1102 101 W 4.3868 8.9111 120.2265 58.9709 28.7871 177.7933 102 E 4.5081 7.8456 116.2580 58.2916 30.2693 178.2085 103 Q 4.9115 8.5240 120.0465 57.4033 28.7737 178.5641 104 V 3.9518 7.6066 119.7696 63.6698 32.1916 177.2803 105 L 4.2008 7.2237 118.7399 56.0346 42.1346 177.5061 106 E 4.3217 8.0940 117.0604 59.3373 30.3154 178.3761 107 I 3.8084 7.4330 119.5845 63.7414 37.3682 177.7004 108 A 4.1834 7.9811 120.5249 53.8652 17.8805 179.3067 109 K 4.1293 7.4570 116.7469 58.6974 32.5370 178.1349 110 Q 4.1055 8.0231 119.5501 58.2006 29.5227 176.7625 111 K 4.8751 8.1215 114.5304 55.2172 33.0150 177.6314 112 M 4.2524 7.8211 118.8269 57.1980 31.2838 175.0276 113 P 4.9513 0.0000 0.0000 63.1776 32.3583 176.3368 114 D 4.7428 8.1486 117.7671 57.1004 45.8187 178.1279 115 L 4.3089 7.2080 110.9606 55.7984 40.8645 176.3925 116 N 4.9853 9.0852 121.8041 55.7258 45.7800 173.9340 117 T 4.3653 7.7071 106.6608 61.4163 69.9079 173.6957 118 T 4.7277 8.1494 110.4622 61.6732 69.7284 173.3552 119 D 4.9155 7.7308 123.9721 54.6787 43.4453 175.5971 120 L 4.7368 8.2225 115.5618 55.5667 44.7361 178.0922 121 E 4.0731 8.3146 116.7913 58.1717 30.2945 177.8858 122 A 4.4083 7.9430 119.3784 53.8822 20.1131 178.4587 123 A 3.9066 7.9335 118.5190 55.5272 18.3927 179.4782 124 A 3.9157 8.2537 119.3967 55.4444 18.2933 180.0909 125 R 3.9359 7.7680 116.1443 59.5716 29.8497 179.0744 126 M 4.1375 8.1498 118.0287 57.6267 32.0565 178.2878 127 I 4.0302 7.4699 119.4157 63.7352 37.6579 177.7696 128 A 4.1441 8.3595 120.4253 54.4059 17.8628 179.6307 129 G 3.6835 8.3212 105.3493 47.8704 0.0000 175.8404 130 S 4.7787 7.9758 117.0596 58.9552 62.6828 176.2909 131 A 4.0693 7.5397 124.3378 55.2454 17.2161 179.3116 132 R 4.2043 7.7206 113.5151 57.1238 30.5826 178.6081 133 S 4.4852 7.7823 115.8798 60.5174 62.5348 175.1376 134 M 4.6073 6.9758 113.8835 53.8985 32.1859 175.7234 135 G 4.0003 8.1287 106.2185 47.6273 0.0000 174.9406 136 V 4.7730 7.9314 117.0245 58.5493 30.8333 176.2602 137 E 3.8995 8.1251 125.1203 56.8831 31.1928 177.0053 138 V 4.6278 8.2316 122.0198 61.6115 32.8370 175.6570 139 V 3.8001 9.1806 129.5209 63.0424 32.7381 176.3541 140 G 3.3794 8.3410 115.1016 45.7810 0.0000 172.1245 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 K 8.31 4.22 0.00 1.88 1.97 0.00 1.53 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.47 7.81 3 K 7.93 4.06 0.00 1.84 1.80 0.00 1.72 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.47 7.81 4 V 8.70 3.99 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 0.81 0.00 0.00 0.93 0.00 0.00 5 V 7.72 4.61 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.96 0.00 0.00 6 A 8.05 4.63 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 7 V 7.89 4.66 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 0.76 0.00 0.00 1.00 0.00 0.00 8 V 8.38 3.69 2.30 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 0.86 0.00 0.00 0.90 0.00 0.00 9 K 8.08 4.89 0.00 1.74 1.73 0.00 1.83 0.00 0.00 1.71 0.00 0.00 3.32 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.57 7.81 10 L 7.36 4.11 0.00 1.53 1.60 0.73 0.88 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 11 Q 7.97 4.65 0.00 2.06 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.97 0.00 0.00 0.00 0.00 0.00 2.29 2.39 0.00 12 L 7.46 4.68 0.00 1.73 1.56 0.81 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.65 0.00 2.05 2.04 0.00 3.66 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 2.03 2.08 0.00 14 A 8.25 4.99 1.53 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 15 G 9.75 4.44 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 0.00 16 K 7.94 4.26 0.00 1.75 1.79 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.46 7.81 17 A 7.89 4.77 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 18 T 7.59 4.68 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 1.22 0.00 0.00 19 P 0.00 4.27 0.00 2.16 2.20 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 20 A 7.81 4.12 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 21 P 0.00 4.57 0.00 2.03 2.00 0.00 3.66 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 22 P 0.00 4.51 0.00 2.17 2.22 0.00 3.64 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.91 0.00 23 V 7.31 4.18 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 0.66 0.00 0.00 0.84 0.00 0.00 24 G 7.81 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 25 P 0.00 4.13 0.00 2.16 2.17 0.00 3.71 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 26 A 7.24 4.39 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 27 L 7.75 4.65 0.00 1.66 1.52 0.72 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 28 G 8.02 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 0.00 0.00 0.00 29 Q 7.93 4.66 0.00 2.03 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.77 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 30 H 8.40 4.43 0.00 2.86 3.29 0.00 5.93 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.26 3.69 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 0.00 0.00 0.00 32 A 7.59 2.68 0.98 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 0.00 0.00 33 N 6.29 4.33 0.00 2.36 2.66 0.00 0.00 6.93 7.76 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 34 I 7.72 3.90 1.81 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.65 0.81 0.00 0.00 35 M 7.75 4.66 0.00 2.01 2.09 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.42 0.00 36 E 8.58 4.67 0.00 2.27 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 2.43 2.47 0.00 37 F 8.19 4.78 0.00 2.95 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 38 V 8.17 3.94 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 0.86 0.00 0.00 1.05 0.00 0.00 39 K 8.02 4.42 0.00 1.67 1.72 0.00 1.84 0.00 0.00 1.82 0.00 0.00 2.83 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.32 0.96 7.81 40 A 7.47 4.31 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 41 F 9.00 4.31 0.00 2.23 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 0.00 0.00 0.00 0.00 42 N 8.02 4.19 0.00 2.88 2.73 0.00 0.00 7.49 7.54 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 43 A 7.17 4.00 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 44 A 8.10 4.09 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 45 T 6.95 4.52 3.78 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 0.57 0.00 0.00 46 A 7.62 3.99 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 47 N 7.20 4.34 0.00 2.51 2.85 0.00 0.00 7.19 7.53 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 48 M 7.16 3.98 0.00 1.99 1.86 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 2.51 2.50 0.00 49 G 6.26 3.74 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 0.00 0.00 0.00 50 D 7.12 4.77 0.00 2.68 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 0.00 0.00 0.00 51 A 8.64 3.20 0.28 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 52 I 7.97 3.79 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 1.30 1.00 0.91 0.00 0.00 53 V 7.94 4.46 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 1.05 0.00 0.00 1.27 0.00 0.00 54 P 0.00 5.16 0.00 2.13 2.10 0.00 3.98 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.03 0.00 55 V 8.07 4.80 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 0.46 0.00 0.00 1.22 0.00 0.00 56 E 8.84 5.28 0.00 2.08 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.26 0.00 57 I 7.91 5.33 1.73 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.13 1.06 0.00 0.00 58 T 8.38 4.75 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 1.38 0.00 0.00 59 I 7.31 4.27 0.82 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.91 0.80 0.00 0.00 60 Y 7.55 4.99 0.00 3.19 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 61 A 8.89 4.41 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.16 4.46 0.00 2.85 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 63 R 7.94 3.81 0.00 2.02 2.09 0.00 3.13 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.78 0.00 64 S 7.95 5.01 0.00 4.03 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 65 F 8.71 5.36 0.00 3.01 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 66 T 7.71 4.50 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 1.35 0.00 0.00 67 F 8.20 5.74 0.00 2.95 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 68 V 8.28 4.35 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 0.97 0.00 0.00 0.84 0.00 0.00 69 T 8.13 5.30 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 1.50 0.00 0.00 70 K 8.43 4.58 0.00 1.67 1.83 0.00 1.63 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.50 7.81 71 T 8.39 4.45 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 1.39 0.00 0.00 72 P 0.00 4.55 0.00 2.09 1.97 0.00 3.43 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.96 0.00 73 P 0.00 4.07 0.00 2.29 2.08 0.00 3.56 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.16 0.00 74 A 8.68 4.19 1.31 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 0.00 0.00 75 S 7.91 4.46 0.00 3.87 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 76 Y 8.20 4.37 0.00 3.05 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 77 L 8.11 3.97 0.00 1.91 1.99 1.07 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 78 I 7.53 3.98 1.87 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 1.62 0.84 1.02 0.00 0.00 79 R 8.24 4.16 0.00 1.79 2.03 0.00 3.31 0.00 0.00 3.25 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.98 0.00 80 K 7.68 3.97 0.00 1.77 1.67 0.00 1.29 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.17 1.37 7.81 81 A 7.10 4.40 1.29 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 0.00 0.00 82 A 7.91 4.65 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 83 G 8.29 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 84 L 7.85 4.72 0.00 1.76 1.57 0.91 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 85 E 8.44 4.46 0.00 1.90 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 2.20 2.26 0.00 86 K 7.74 4.61 0.00 1.92 1.86 0.00 1.62 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.34 1.38 7.81 87 G 9.03 3.77 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 88 A 9.38 4.31 1.31 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 0.00 0.00 89 H 8.77 4.39 0.00 3.30 3.40 0.00 5.67 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 90 K 7.49 4.47 0.00 1.72 1.74 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.45 7.81 91 P 0.00 4.18 0.00 2.04 2.29 0.00 3.65 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 2.09 2.14 0.00 92 G 8.51 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 0.00 0.00 0.00 93 R 8.13 3.97 0.00 1.79 1.98 0.00 3.34 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 94 E 7.48 4.53 0.00 1.89 1.80 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 2.18 2.22 0.00 95 K 8.50 4.66 0.00 1.76 1.72 0.00 1.69 0.00 0.00 1.20 0.00 0.00 2.99 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.63 1.44 7.81 96 V 8.47 4.19 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 0.79 0.00 0.00 0.93 0.00 0.00 97 G 7.41 4.14 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 98 R 8.03 4.88 0.00 1.91 1.91 0.00 2.99 0.00 0.00 3.37 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.64 0.00 99 I 8.05 4.94 1.89 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 1.39 1.20 0.91 0.00 0.00 100 T 8.82 5.03 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 101 W 8.91 4.39 0.00 3.35 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 0.00 102 E 7.85 4.51 0.00 2.33 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.37 0.00 103 Q 8.52 4.91 0.00 2.16 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.71 0.00 0.00 0.00 0.00 0.00 2.51 2.26 0.00 104 V 7.61 3.95 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 0.81 0.00 0.00 0.92 0.00 0.00 105 L 7.22 4.20 0.00 1.90 1.82 0.87 0.93 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 0.00 106 E 8.09 4.32 0.00 2.26 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.28 0.00 107 I 7.43 3.81 1.87 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 1.46 1.09 0.93 0.00 0.00 108 A 7.98 4.18 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 0.00 109 K 7.46 4.13 0.00 1.89 1.87 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.51 7.81 110 Q 8.02 4.11 0.00 2.04 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 7.18 0.00 0.00 0.00 0.00 0.00 2.40 2.35 0.00 111 K 8.12 4.88 0.00 1.82 1.75 0.00 2.14 0.00 0.00 1.86 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.36 7.81 112 M 7.82 4.25 0.00 2.48 2.32 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.67 0.00 113 P 0.00 4.95 0.00 2.19 2.17 0.00 3.60 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 114 D 8.15 4.74 0.00 2.71 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 0.00 115 L 7.21 4.31 0.00 1.72 0.98 0.91 0.95 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 0.00 116 N 9.09 4.99 0.00 2.63 2.75 0.00 0.00 6.89 7.70 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 0.00 117 T 7.71 4.37 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 0.00 118 T 8.15 4.73 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 0.00 119 D 7.73 4.92 0.00 2.58 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 0.00 120 L 8.22 4.74 0.00 1.60 1.57 0.91 0.87 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 0.00 121 E 8.31 4.07 0.00 1.89 1.95 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 2.27 2.29 0.00 122 A 7.94 4.41 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 0.00 123 A 7.93 3.91 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 0.00 124 A 8.25 3.92 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 0.00 125 R 7.77 3.94 0.00 2.02 1.95 0.00 3.08 0.00 0.00 3.12 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.74 0.00 126 M 8.15 4.14 0.00 1.95 2.22 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.56 0.00 127 I 7.47 4.03 1.94 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 1.83 0.95 0.91 0.00 0.00 128 A 8.36 4.14 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 0.00 129 G 8.32 3.68 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 0.00 0.00 0.00 130 S 7.98 4.78 0.00 3.95 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 0.00 131 A 7.54 4.07 1.39 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 0.00 0.00 0.00 132 R 7.72 4.20 0.00 1.88 1.97 0.00 3.14 0.00 0.00 3.35 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 133 S 7.78 4.49 0.00 4.14 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 0.00 134 M 6.98 4.61 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.73 0.00 135 G 8.13 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 0.00 136 V 7.93 4.77 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 0.85 0.00 0.00 0.98 0.00 0.00 137 E 8.13 3.90 0.00 2.09 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 2.39 2.38 0.00 138 V 8.23 4.63 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 0.92 0.00 0.00 0.95 0.00 0.00 139 V 9.18 3.80 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 0.86 0.00 0.00 0.95 0.00 0.00 140 G 8.34 3.38 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