NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9382 8.3549 109.7489 45.1499 0.0000 173.5226 2 L 4.3216 7.7207 118.8476 50.9072 43.2910 175.6309 3 S 4.4796 9.5293 118.7321 58.1064 66.0896 175.0364 4 D 4.6833 8.6803 121.6176 57.4311 40.5307 179.1913 5 G 3.6687 8.1116 105.8810 47.8453 0.0000 175.5020 6 E 3.9199 8.3206 120.9154 58.9676 29.4100 179.3844 7 W 4.3908 8.1128 118.9786 59.9258 29.0671 178.5481 8 Q 4.1254 8.4873 118.0654 59.0814 28.2500 178.9324 9 L 4.0678 8.0360 120.0267 57.5693 41.5648 179.7330 10 V 3.7148 8.1016 118.3692 66.2507 31.6559 178.2326 11 L 4.2485 8.5712 118.8748 57.5049 41.1889 179.3170 12 N 4.4162 8.2623 116.2492 56.5064 38.8477 177.5569 13 V 3.8351 7.9524 113.3635 63.6702 31.6344 178.4126 14 W 4.0982 8.7281 128.5509 59.9806 30.4067 178.0653 15 G 3.8113 7.9755 105.5713 47.6707 0.0000 175.8271 16 K 3.8751 7.6843 119.9410 59.0618 32.1907 179.3495 17 V 2.8498 6.8618 118.0605 65.6643 31.2393 177.8268 18 E 3.8156 7.9798 118.1689 58.8226 29.0192 178.5616 19 A 4.1908 7.3696 118.8259 53.1383 19.8017 177.0758 20 D 4.5324 7.8941 113.9415 52.2235 43.7076 176.0265 21 V 3.5481 7.6333 124.4378 66.1896 32.0565 176.7766 22 A 4.1153 8.0054 120.0306 54.9886 18.2451 179.6697 23 G 3.5589 8.0808 105.2502 47.7767 0.0000 175.7006 24 H 4.1466 8.2559 119.0146 58.3596 28.6695 178.1926 25 G 3.5304 8.4827 108.0259 47.6337 0.0000 175.3141 26 Q 3.8773 8.2514 122.4325 59.1194 28.9920 178.4686 27 E 3.8424 8.0120 119.3234 59.2479 29.3916 179.3361 28 V 3.4923 7.8706 118.4266 66.2678 31.4775 178.1550 29 L 3.4185 7.7796 118.3563 57.5114 41.2518 179.6211 30 I 3.6161 7.6491 119.8172 64.3998 37.0162 178.6986 31 R 3.8357 8.0661 119.0922 58.8993 29.7464 178.8344 32 L 3.9068 7.9043 120.3247 58.3922 41.9994 179.2193 33 F 4.5483 8.0243 118.0051 60.4968 38.5755 177.9506 34 K 4.1661 8.2861 117.8700 59.0735 31.9691 179.4202 35 G 3.7107 8.0337 105.4490 46.5936 0.0000 173.7339 36 H 4.6521 8.2083 119.0765 51.5600 29.5322 171.8002 37 P 4.7280 0.0000 0.0000 64.6726 31.4758 177.5057 38 E 4.1333 8.2622 116.0931 59.4399 29.4428 179.1462 39 T 3.7797 8.2589 111.4538 64.5103 68.7360 176.2084 40 L 3.6108 7.9048 122.7620 57.7590 41.7403 178.6581 41 E 4.1447 8.0331 117.4322 58.6581 29.4378 178.5991 42 K 4.4057 8.1361 117.1894 56.7063 32.6615 176.8179 43 F 4.5296 7.9895 119.1306 55.3984 38.9426 175.9257 44 D 4.3762 8.4459 126.5651 56.9438 40.9341 178.6895 45 K 4.0755 7.8536 117.4235 58.5034 32.2480 177.5653 46 F 5.1295 7.9459 116.9278 57.2542 39.0098 177.5257 47 K 4.1636 8.2264 121.1148 58.4366 31.9720 177.2684 48 H 4.6457 7.7674 112.6719 55.0510 29.1970 174.8536 49 L 4.3224 7.2214 121.4112 54.7279 40.5851 176.5365 50 K 4.4290 9.1190 123.3273 55.9301 32.6953 177.0301 51 S 4.5534 7.2401 112.9999 56.2930 66.3859 175.4452 52 E 3.8922 8.5606 122.9475 59.5886 29.3037 178.6659 53 D 4.3449 8.0422 118.4103 57.3687 40.5297 178.4937 54 E 3.9317 8.1204 118.9350 59.7116 29.2742 179.2198 55 M 3.9598 8.0650 117.7761 58.4760 32.0891 178.7705 56 K 4.0379 8.2599 117.6498 59.0732 32.2593 178.7128 57 A 4.3133 7.7724 119.6441 52.5375 18.8585 177.5288 58 S 4.1801 7.3756 113.6483 58.1006 62.9195 174.7836 59 E 4.0621 8.8794 127.0729 59.5415 29.6291 178.7347 60 D 4.4817 8.1758 119.3832 56.8889 40.8740 178.2728 61 L 3.6522 8.3293 121.6390 57.8743 42.0190 178.9563 62 K 3.9419 7.8241 119.7126 59.3932 32.1249 179.0053 63 K 4.0326 8.3507 119.0093 59.6450 31.9015 178.8598 64 H 4.3832 8.7159 118.8379 59.1678 29.8581 177.4893 65 G 3.5971 8.5390 108.0578 47.7863 0.0000 175.0700 66 N 4.3211 8.3209 119.4733 56.7207 39.0749 177.0069 67 T 3.8713 8.0157 117.0481 66.6206 68.5391 176.6123 68 V 3.5836 7.8636 120.0211 66.2904 31.5547 178.1861 69 L 4.2182 8.1184 118.5476 57.9184 41.4212 179.6379 70 T 3.9560 8.4077 116.1049 66.5520 68.3908 176.4705 71 A 3.9685 7.9738 122.4231 55.1465 18.4649 179.4665 72 L 3.7307 8.1655 119.1122 57.8783 42.0678 179.2468 73 G 3.2895 8.3760 106.1179 47.6464 0.0000 175.5768 74 G 3.7261 7.6828 107.1658 47.5697 0.0000 175.4391 75 I 3.8269 7.5268 122.1905 64.0954 37.1229 178.5470 76 L 3.9495 7.9397 120.1203 57.7199 41.1628 179.6937 77 K 3.9341 7.7618 116.9789 58.3912 32.1996 178.5036 78 K 3.9970 7.8813 117.7799 55.7045 32.4395 178.4068 79 K 2.0000 8.6143 119.5028 56.7463 32.4818 174.5842 80 G 4.2022 8.6750 116.2800 47.2335 0.0000 173.7948 81 H 4.5276 7.0541 116.7598 55.1897 27.0954 175.1300 82 H 5.1372 7.3986 111.3596 54.3921 29.6752 176.3172 83 E 3.9483 8.5510 122.6270 60.1564 29.0374 178.7130 84 A 4.0034 7.9465 118.7525 55.0914 18.8752 178.8886 85 E 4.1372 8.0904 116.7049 59.0903 29.7071 178.9127 86 L 3.9699 8.4707 120.9681 58.2772 42.1565 178.5687 87 T 3.9190 8.2054 116.3159 66.6251 68.4184 174.3430 88 P 4.3697 0.0000 0.0000 65.9541 31.0501 178.1165 89 L 4.0207 7.5361 117.4932 57.8751 42.0695 178.7514 90 A 4.2218 8.3340 120.9750 55.2423 18.3238 179.4670 91 Q 3.9496 8.5936 117.2162 59.3815 28.9022 179.5405 92 S 4.0784 8.3526 115.1958 61.7102 63.0938 176.0948 93 H 4.1866 8.8493 119.9457 58.2680 28.2688 177.5790 94 A 2.9918 8.1573 122.7358 54.9352 17.4449 178.3171 95 T 3.8062 7.6254 108.1579 63.1973 68.8789 177.1040 96 K 3.8143 7.5223 124.6298 58.7871 32.8976 178.2546 97 H 4.3425 7.7762 113.3500 55.6924 29.4784 175.1490 98 K 3.4815 6.8727 114.7715 57.2693 29.4597 176.4199 99 I 4.2857 7.6176 119.0789 58.8354 38.2626 175.0613 100 P 4.4869 0.0000 0.0000 62.0803 32.2194 177.4882 101 V 3.4486 8.4752 119.0712 66.1889 31.3460 178.0785 102 K 3.8124 7.9598 118.7392 59.8737 31.8779 178.0683 103 Y 4.2136 7.9887 116.6315 60.5923 37.7780 178.0067 104 L 4.1680 7.9363 120.4310 57.7598 41.6800 179.2607 105 E 4.0442 7.9308 118.1933 59.3925 29.4279 179.2434 106 F 4.5450 7.7820 117.4742 60.6757 38.9018 177.6000 107 I 3.8925 8.2401 118.3225 63.8462 37.7660 178.0412 108 S 4.1899 8.2638 116.4141 61.5090 62.6638 176.1249 109 E 3.9830 8.4149 121.6946 59.4585 29.3495 178.8568 110 A 4.4779 8.0328 122.0340 54.4875 18.3125 179.7045 111 I 3.6420 8.1854 118.8722 64.6462 37.1657 178.6429 112 I 3.7802 7.8218 120.5407 64.6171 36.8529 178.5086 113 Q 4.0185 8.5748 119.2629 58.9824 28.4509 179.1781 114 V 3.6039 7.9040 120.6924 65.3851 31.5419 178.0703 115 L 3.7330 7.9137 118.9017 57.6687 41.0496 179.3520 116 Q 4.2164 7.9979 118.9999 59.1930 28.8497 178.0793 117 S 4.2395 8.3048 115.5765 61.2484 62.9683 176.2720 118 K 4.0970 7.9438 120.5532 57.2812 33.0150 176.5973 119 H 5.0494 8.2324 116.8111 53.7545 29.7360 173.1535 120 P 4.3851 0.0000 0.0000 66.0624 31.3891 178.1956 121 G 3.7224 8.1640 106.5559 47.8534 0.0000 173.8084 122 D 4.6748 8.0991 116.9708 54.5527 41.8577 176.4505 123 F 4.9972 7.9020 121.7288 56.4222 38.9387 175.0907 124 G 3.9008 7.5281 110.3984 43.3090 0.0000 170.3356 125 A 3.8673 8.4097 120.7410 55.5320 18.3442 179.7955 126 D 4.2252 7.9585 116.4884 57.4195 40.8867 178.7742 127 A 4.0117 7.7927 120.8181 55.1027 18.3819 179.4518 128 Q 3.2677 7.9671 117.1286 58.7644 28.6886 179.4170 129 G 3.4817 7.9877 106.3883 47.6708 0.0000 175.6371 130 A 3.8541 7.9314 123.4431 55.0171 18.3914 179.4227 131 M 4.0247 8.3545 116.9905 58.7301 32.2385 178.4286 132 S 4.1638 8.3919 115.7283 61.7647 63.0308 176.8124 133 K 3.8378 7.9590 120.6646 59.4929 31.7257 179.2838 134 A 3.8410 7.9951 120.9118 55.1109 18.2050 179.7525 135 L 4.0532 8.1540 117.6328 57.6969 41.5993 179.3342 136 E 3.9288 8.5732 119.7918 59.1023 29.5323 178.4497 137 L 3.9522 8.2910 120.8053 58.2055 42.0788 178.5442 138 F 4.1247 8.4476 120.4285 61.5291 39.2745 177.2888 139 R 3.4740 8.3322 117.6828 59.2136 29.9046 178.7646 140 N 4.2402 8.3883 116.5694 56.5944 38.5914 177.2998 141 D 4.3718 8.2947 120.2957 57.2820 40.7691 178.8229 142 M 3.7195 7.8427 119.3299 58.1836 31.9010 178.5611 143 A 3.6187 7.9842 121.0531 55.0404 18.5742 179.5862 144 A 3.9871 8.0359 119.2735 54.9353 18.4307 179.8518 145 K 3.9827 8.0542 118.3831 59.6617 32.2700 178.5828 146 Y 4.3791 8.3711 117.2994 61.3248 37.9944 178.8903 147 K 4.5977 8.2480 120.4981 59.1041 31.9571 179.0294 148 E 3.9918 7.9983 118.1701 59.0481 29.6405 178.1718 149 L 4.3028 7.8352 116.8859 55.1657 41.9816 177.6228 150 G 3.7065 7.6522 107.0839 44.9528 0.0000 173.0317 151 F 4.8260 8.2624 118.7747 54.7423 41.7143 174.5243 152 Q 4.3733 8.7498 123.2883 56.2685 29.2973 175.9903 153 G 3.8118 8.7125 113.1501 45.7790 0.0000 173.2311 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 G 8.35 3.94 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 0.00 0.00 0.00 2 L 7.72 4.32 0.00 0.64 0.74 0.54 -0.49 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 3 S 9.53 4.48 0.00 4.04 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 4 D 8.68 4.68 0.00 2.77 2.84 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 5 G 8.11 3.67 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 0.00 0.00 0.00 6 E 8.32 3.92 0.00 2.04 1.71 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 2.21 2.26 0.00 7 W 8.11 4.39 0.00 3.57 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 8 Q 8.49 4.13 0.00 2.25 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.70 2.61 0.00 9 L 8.04 4.07 0.00 1.93 1.75 0.90 0.86 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 10 V 8.10 3.71 2.49 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 1.30 0.00 0.00 0.88 0.00 0.00 11 L 8.57 4.25 0.00 1.83 1.80 0.94 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.26 4.42 0.00 2.95 2.93 0.00 0.00 7.05 7.25 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 13 V 7.95 3.84 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 1.01 0.00 0.00 14 W 8.73 4.10 0.00 3.61 3.24 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 15 G 7.98 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 16 K 7.68 3.88 0.00 1.52 1.43 0.00 1.60 0.00 0.00 1.55 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.39 1.24 7.81 17 V 6.86 2.85 0.67 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 0.18 0.00 0.00 0.04 0.00 0.00 18 E 7.98 3.82 0.00 2.08 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 2.44 2.40 0.00 19 A 7.37 4.19 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 20 D 7.89 4.53 0.00 2.67 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 21 V 7.63 3.55 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 1.04 0.00 0.00 0.93 0.00 0.00 22 A 8.01 4.12 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 23 G 8.08 3.56 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 0.00 24 H 8.26 4.15 0.00 3.24 3.23 0.00 5.82 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 25 G 8.48 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 26 Q 8.25 3.88 0.00 2.13 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.75 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 27 E 8.01 3.84 0.00 2.08 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.40 0.00 28 V 7.87 3.49 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 1.08 0.00 0.00 0.97 0.00 0.00 29 L 7.78 3.42 0.00 1.56 1.01 0.92 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.65 3.62 1.89 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 1.45 0.65 0.86 0.00 0.00 31 R 8.07 3.84 0.00 1.89 1.92 0.00 3.24 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 32 L 7.90 3.91 0.00 1.68 1.43 1.03 1.31 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 33 F 8.02 4.55 0.00 2.98 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 34 K 8.29 4.17 0.00 1.76 1.84 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.64 1.58 7.81 35 G 8.03 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 H 8.21 4.65 0.00 2.88 2.88 0.00 5.64 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.73 0.00 2.15 2.11 0.00 3.83 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.99 0.00 38 E 8.26 4.13 0.00 2.31 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 0.00 2.48 2.63 0.00 39 T 8.26 3.78 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 0.80 0.00 0.00 40 L 7.90 3.61 0.00 1.37 1.77 0.01 1.16 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 41 E 8.03 4.14 0.00 2.19 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 0.00 2.57 2.54 0.00 42 K 8.14 4.41 0.00 1.68 1.58 0.00 1.94 0.00 0.00 1.71 0.00 0.00 3.13 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.71 1.84 7.81 43 F 7.99 4.53 0.00 3.20 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.45 4.38 0.00 2.62 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 45 K 7.85 4.08 0.00 1.17 1.45 0.00 1.53 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.33 7.81 46 F 7.95 5.13 0.00 2.87 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 47 K 8.23 4.16 0.00 1.79 1.88 0.00 1.95 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.64 1.41 7.81 48 H 7.77 4.65 0.00 3.29 3.44 0.00 5.52 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 49 L 7.22 4.32 0.00 1.54 1.57 0.71 0.99 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 50 K 9.12 4.43 0.00 1.67 1.81 0.00 1.74 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.79 1.49 7.81 51 S 7.24 4.55 0.00 3.97 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 52 E 8.56 3.89 0.00 2.03 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 2.35 2.37 0.00 53 D 8.04 4.34 0.00 2.71 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 54 E 8.12 3.93 0.00 2.13 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 2.34 0.00 55 M 8.07 3.96 0.00 1.89 2.24 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 2.52 0.00 56 K 8.26 4.04 0.00 1.80 1.84 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.42 1.56 7.81 57 A 7.77 4.31 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 S 7.38 4.18 0.00 3.85 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 59 E 8.88 4.06 0.00 2.26 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 2.38 2.43 0.00 60 D 8.18 4.48 0.00 2.99 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 61 L 8.33 3.65 0.00 1.06 1.56 0.66 0.21 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 62 K 7.82 3.94 0.00 1.77 1.92 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.45 7.81 63 K 8.35 4.03 0.00 1.93 1.91 0.00 1.78 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.75 7.81 64 H 8.72 4.38 0.00 3.62 3.67 0.00 5.79 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 65 G 8.54 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 N 8.32 4.32 0.00 2.78 3.03 0.00 0.00 7.24 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 T 8.02 3.87 4.42 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 1.27 0.00 0.00 68 V 7.86 3.58 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 1.08 0.00 0.00 0.95 0.00 0.00 69 L 8.12 4.22 0.00 1.81 1.89 0.93 0.74 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 70 T 8.41 3.96 4.46 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 1.26 0.00 0.00 71 A 7.97 3.97 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 72 L 8.17 3.73 0.00 1.58 1.73 0.15 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.38 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 0.00 0.00 0.00 74 G 7.68 3.73 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 0.00 0.00 0.00 75 I 7.53 3.83 1.87 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 1.52 0.67 0.90 0.00 0.00 76 L 7.94 3.95 0.00 1.04 1.55 -0.02 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.76 3.93 0.00 1.70 1.80 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.14 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.45 1.50 7.81 78 K 7.88 4.00 0.00 1.86 1.83 0.00 1.74 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.53 1.78 7.81 79 K 8.61 2.00 0.00 1.01 0.74 0.00 1.45 0.00 0.00 1.54 0.00 0.00 2.76 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.49 0.95 7.81 80 G 8.67 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 81 H 7.05 4.53 0.00 3.14 3.23 0.00 5.81 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.40 5.14 0.00 3.26 3.42 0.00 5.66 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.55 3.95 0.00 2.13 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 2.40 2.48 0.00 84 A 7.95 4.00 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 85 E 8.09 4.14 0.00 2.21 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 2.38 2.42 0.00 86 L 8.47 3.97 0.00 1.73 1.67 0.77 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 87 T 8.21 3.92 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 1.24 0.00 0.00 88 P 0.00 4.37 0.00 2.30 2.35 0.00 3.82 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.06 0.00 89 L 7.54 4.02 0.00 1.92 1.89 1.01 1.35 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 90 A 8.33 4.22 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 91 Q 8.59 3.95 0.00 2.26 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.75 0.00 0.00 0.00 0.00 0.00 2.43 2.63 0.00 92 S 8.35 4.08 0.00 3.97 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 93 H 8.85 4.19 0.00 3.56 3.61 0.00 5.81 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 94 A 8.16 2.99 0.26 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 95 T 7.63 3.81 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 1.29 0.00 0.00 96 K 7.52 3.81 0.00 1.60 1.58 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.22 1.36 7.81 97 H 7.78 4.34 0.00 3.03 3.11 0.00 5.86 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 6.87 3.48 0.00 1.81 1.74 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.43 7.81 99 I 7.62 4.29 2.06 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 1.39 0.97 1.14 0.00 0.00 100 P 0.00 4.49 0.00 1.95 1.95 0.00 3.35 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 1.16 0.00 101 V 8.48 3.45 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 0.90 0.00 0.00 0.69 0.00 0.00 102 K 7.96 3.81 0.00 1.71 1.61 0.00 1.81 0.00 0.00 2.02 0.00 0.00 3.08 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.64 1.34 7.81 103 Y 7.99 4.21 0.00 3.27 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 0.00 104 L 7.94 4.17 0.00 1.82 1.79 0.59 1.08 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 0.00 105 E 7.93 4.04 0.00 2.00 1.99 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 2.38 2.47 0.00 106 F 7.78 4.55 0.00 3.17 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 0.00 107 I 8.24 3.89 2.00 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 1.57 1.61 1.08 0.00 0.00 108 S 8.26 4.19 0.00 4.18 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 0.00 109 E 8.41 3.98 0.00 2.17 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 0.00 2.38 2.41 0.00 110 A 8.03 4.48 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 0.00 111 I 8.19 3.64 2.08 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 1.58 0.71 1.02 0.00 0.00 112 I 7.82 3.78 2.11 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.82 1.16 0.00 0.00 113 Q 8.57 4.02 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.58 0.00 114 V 7.90 3.60 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.92 0.00 0.00 115 L 7.91 3.73 0.00 0.90 0.34 0.72 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 116 Q 8.00 4.22 0.00 2.37 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.97 0.00 0.00 0.00 0.00 0.00 2.46 2.48 0.00 117 S 8.30 4.24 0.00 4.04 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 0.00 118 K 7.94 4.10 0.00 1.39 1.50 0.00 1.69 0.00 0.00 1.33 0.00 0.00 2.50 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.26 1.40 7.81 119 H 8.23 5.05 0.00 3.19 3.19 0.00 5.64 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.39 0.00 2.20 2.24 0.00 3.84 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 121 G 8.16 3.72 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 0.00 0.00 0.00 122 D 8.10 4.67 0.00 2.75 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 0.00 123 F 7.90 5.00 0.00 2.94 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 0.00 124 G 7.53 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 A 8.41 3.87 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 0.00 126 D 7.96 4.23 0.00 2.66 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 0.00 127 A 7.79 4.01 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 0.00 128 Q 7.97 3.27 0.00 1.96 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 1.36 1.46 0.00 129 G 7.99 3.48 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 0.00 130 A 7.93 3.85 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 0.00 131 M 8.35 4.02 0.00 2.43 2.37 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.89 0.00 132 S 8.39 4.16 0.00 4.08 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 K 7.96 3.84 0.00 1.84 1.67 0.00 1.51 0.00 0.00 1.54 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.55 7.81 134 A 8.00 3.84 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 L 8.15 4.05 0.00 1.77 1.82 1.00 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 0.00 136 E 8.57 3.93 0.00 2.10 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 2.42 2.32 0.00 137 L 8.29 3.95 0.00 1.88 1.96 1.03 1.03 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 0.00 138 F 8.45 4.12 0.00 3.13 3.26 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 0.00 139 R 8.33 3.47 0.00 1.98 1.85 0.00 3.18 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 2.04 0.00 140 N 8.39 4.24 0.00 2.93 2.84 0.00 0.00 7.10 7.62 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 0.00 141 D 8.29 4.37 0.00 2.64 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 0.00 142 M 7.84 3.72 0.00 1.30 1.61 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.80 0.00 143 A 7.98 3.62 1.23 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 0.00 0.00 144 A 8.04 3.99 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 0.00 145 K 8.05 3.98 0.00 2.01 2.00 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.63 7.81 146 Y 8.37 4.38 0.00 3.24 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 0.00 147 K 8.25 4.60 0.00 2.00 1.89 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.53 7.81 148 E 8.00 3.99 0.00 2.17 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 149 L 7.84 4.30 0.00 2.10 1.87 1.05 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 150 G 7.65 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 F 8.26 4.83 0.00 2.99 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 Q 8.75 4.37 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.94 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 153 G 8.71 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