NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4346 8.3044 118.1953 55.1208 32.5409 174.3380 1 V 4.2095 7.9241 118.6721 60.5778 34.1214 173.9096 2 L 4.1912 8.3411 127.5954 54.3768 43.2831 176.8982 3 S 4.5923 8.7623 117.3221 57.5081 65.6640 175.1053 4 E 4.3014 8.7198 121.8430 59.3715 29.4924 178.7740 5 G 3.6422 8.1105 105.4302 47.6927 0.0000 175.4353 6 E 3.9606 8.0877 120.5356 59.0347 29.4301 179.3768 7 W 4.2972 8.0648 119.0424 59.7212 29.0424 178.6730 8 Q 4.1742 8.4976 118.3942 58.9502 28.2813 178.6423 9 L 4.0960 7.9493 119.7265 57.6787 41.5664 179.7826 10 V 3.7964 7.8400 118.3471 65.8646 31.6060 177.8271 11 L 4.3663 8.6444 118.3388 56.8605 41.1952 178.7989 12 H 4.2754 8.5002 119.3565 59.2425 29.8919 177.5764 13 V 3.8516 7.9373 120.6072 64.2762 31.2885 178.1095 14 W 3.8922 8.6204 129.0730 60.2225 30.2777 177.6360 15 A 3.9390 8.0082 119.8609 55.0019 18.0832 179.5541 16 K 3.9349 7.3505 117.4010 59.2972 32.1924 179.3928 17 V 2.8824 6.9991 118.4775 65.9410 31.0446 177.7115 18 E 3.8256 7.4812 115.3507 58.0862 29.3213 178.4676 19 A 4.1975 7.3851 120.0350 53.5171 20.1440 177.5770 20 D 4.6485 7.8856 116.8241 51.8576 42.4233 175.4372 21 V 3.4092 7.8937 123.6184 65.7846 32.0970 176.7270 22 A 4.0556 7.9877 120.0013 55.0163 18.3004 179.4477 23 G 3.8751 8.1585 105.4811 47.7968 0.0000 175.5701 24 H 4.1578 8.2362 119.4045 58.2779 28.7178 178.1602 25 G 3.7391 8.3868 107.9033 47.7954 0.0000 175.5626 26 Q 3.8820 8.1648 121.7723 59.0473 29.1271 177.7897 27 D 4.3329 8.0696 119.8785 57.5446 40.8340 178.9856 28 I 3.7012 7.7414 120.0365 64.4696 37.0758 178.5823 29 L 3.4034 7.8227 119.7361 57.5020 41.2585 179.6211 30 I 3.6656 7.6319 119.7746 64.2336 36.9382 178.4055 31 R 3.7671 7.9736 119.5603 59.2167 29.8615 178.1249 32 L 3.8662 7.7444 120.0985 58.4591 41.8369 179.1473 33 F 4.5932 7.8540 117.5761 60.2463 38.5058 178.0681 34 K 4.0227 8.1643 117.9501 59.6534 32.0814 179.2585 35 S 4.2694 8.0305 114.1837 60.4815 63.9917 174.6035 36 H 4.7076 8.3366 119.2126 52.1077 29.3313 171.9974 37 P 4.5319 0.0000 0.0000 64.4267 31.3509 177.5349 38 E 4.1175 8.2239 116.4855 59.4017 29.5846 179.0816 39 T 3.8525 8.2566 111.1819 64.3436 68.7919 176.3134 40 L 3.8108 7.9143 123.0371 57.8328 41.7445 178.6691 41 E 4.0729 7.9314 117.6550 58.9478 29.4378 178.7523 42 K 4.4410 8.1087 116.6843 56.9471 32.5411 176.9254 43 F 4.4947 8.1844 119.3069 55.5617 38.5336 176.2002 44 D 4.3478 8.4036 126.5230 56.8467 40.9318 178.6008 45 R 3.9604 7.6501 117.0995 57.8178 30.5030 177.0557 46 F 4.9856 7.5644 115.2790 57.6486 41.0024 178.0529 47 K 4.1542 8.0588 121.4413 59.6339 32.3838 176.6256 48 H 4.4057 8.1725 112.0785 56.9550 28.9505 175.3364 49 L 4.1170 7.4906 121.8468 54.8861 41.6861 176.8925 50 K 4.2396 9.1489 123.8586 57.4599 33.2210 176.8870 51 T 4.7001 7.3070 107.6109 59.1052 73.1055 174.1829 52 E 3.9917 8.5591 119.9622 58.8743 29.7093 178.2414 53 A 3.9973 7.9064 120.6851 54.9176 18.2784 179.2520 54 E 3.9707 7.7695 116.2573 59.6477 29.8212 179.0261 55 M 4.1479 8.1253 118.8208 58.3596 31.8098 178.9709 56 K 3.9677 8.1753 117.6637 59.1590 32.3233 178.5798 57 A 4.3446 7.6279 118.0289 51.9425 18.9941 177.2174 58 S 4.2789 7.5567 114.2058 57.6421 63.0093 174.7376 59 E 4.0424 8.9047 128.2356 59.3901 29.3596 178.6994 60 D 4.5049 8.2004 118.5858 57.4383 40.8927 178.4648 61 L 3.2339 7.8149 120.5953 57.9300 41.8918 178.9700 62 K 3.9051 7.9029 119.1093 59.4059 32.0663 178.9568 63 K 4.0685 8.1742 119.0022 59.6230 31.8933 178.8571 64 H 4.4819 8.6840 118.8391 59.1381 29.8373 177.5173 65 G 3.8201 8.5722 108.0852 47.7270 0.0000 175.9376 66 V 3.6023 7.7145 120.3006 66.1219 31.7136 178.1949 67 T 3.8866 7.9675 115.5186 66.7290 68.3295 176.3795 68 F 4.3201 8.5233 122.7321 61.3432 39.4002 177.2429 69 L 3.3679 7.6514 118.5742 57.7274 41.3663 179.4609 70 T 3.8690 8.0835 115.6747 66.7299 68.2661 176.5100 71 A 4.0385 7.9480 122.2887 54.9713 18.3452 179.4670 72 L 3.8052 7.9610 119.2263 57.8010 42.0844 179.4132 73 G 3.3958 8.3437 105.7778 47.7513 0.0000 175.5354 74 A 4.0204 7.7265 122.2689 54.8376 18.7140 179.5367 75 I 3.8254 7.4546 118.3615 64.4692 37.1856 178.6417 76 L 4.0279 7.7924 119.8213 57.4026 41.1540 179.3877 77 K 3.9697 7.6871 117.2094 58.3695 32.3168 178.9364 78 K 3.9419 7.8563 118.3665 56.5054 31.9126 177.0862 79 K 2.0000 8.3780 117.6379 56.5826 29.7801 176.2189 80 G 4.0175 8.1072 107.2243 45.8333 0.0000 174.9303 81 H 4.7561 7.6393 118.5763 54.1510 27.3045 174.5917 82 H 5.3646 7.2616 111.6930 54.1410 29.4466 176.1860 83 E 3.9995 8.6261 121.6055 60.1655 28.9392 179.1037 84 A 4.0333 7.8996 118.3181 55.4084 19.2424 179.0642 85 E 4.0643 8.2423 116.5512 59.4590 29.4597 179.0746 86 L 3.9918 8.2051 119.9651 57.2392 42.0980 179.1307 87 K 4.0163 7.7419 118.1255 59.0306 32.0915 177.4606 88 P 4.3349 0.0000 0.0000 65.4402 31.3965 178.2391 89 L 4.0731 7.5197 118.4980 57.9843 42.0120 178.7098 90 A 4.2331 8.5009 121.2771 55.1623 18.3360 179.4369 91 Q 3.8993 8.3793 118.4576 59.3153 29.0883 178.6478 92 S 4.0446 8.2269 115.3506 61.8454 63.1498 176.1827 93 H 4.1106 8.7085 119.5109 57.8844 26.9395 177.4616 94 A 2.9003 8.1018 122.8123 53.9220 18.3392 179.0502 95 T 4.1649 7.4714 112.3531 64.2986 69.6588 176.1461 96 K 4.0305 7.4963 120.2725 58.8349 32.7702 177.1696 97 H 4.3393 7.9056 114.1180 55.7980 29.5635 175.3413 98 K 3.2557 6.8229 117.5433 56.9877 28.9822 175.0801 99 I 4.3367 8.0541 118.8794 58.4570 38.5714 174.8097 100 P 4.6289 0.0000 0.0000 62.3653 32.1388 177.3248 101 I 3.5960 8.5114 121.1464 64.7184 37.0410 178.3612 102 K 3.5833 8.0487 119.6676 60.1177 31.7715 178.0798 103 Y 4.1760 8.0504 116.6592 60.7771 37.7162 178.1952 104 L 4.1889 7.8705 119.8233 57.7364 41.7758 179.0592 105 E 4.0346 8.2662 118.6463 59.4531 29.4563 179.4290 106 F 4.4965 7.8492 117.6892 60.7267 38.8719 177.6243 107 I 3.8422 8.1669 118.2735 63.9123 37.7597 178.0515 108 S 4.2174 8.2540 116.3907 61.7101 62.7277 176.2624 109 E 4.0543 8.4319 121.6884 59.2668 29.3603 178.7357 110 A 4.1082 8.0504 120.7598 54.8069 18.4548 179.7279 111 I 3.7447 8.0729 118.6656 64.8071 37.2102 178.5963 112 I 3.8351 7.9267 120.5848 64.6178 36.9163 177.9540 113 H 4.0899 8.4516 118.9608 59.3853 29.6986 177.4846 114 V 3.5912 7.9276 119.9272 66.0506 31.2614 177.9996 115 L 3.8201 7.8979 118.7242 57.7161 41.0604 178.8137 116 H 4.3019 7.9790 117.5501 59.5096 29.8851 177.1888 117 S 4.1649 7.8582 115.4383 61.5967 62.8002 176.4250 118 R 4.1452 7.9626 118.7490 57.0820 31.4757 176.3898 119 H 5.0214 8.2259 115.7618 53.7742 29.4701 172.7885 120 P 4.3208 0.0000 0.0000 65.8508 31.7146 179.4136 121 G 3.7021 8.1348 106.3353 47.3130 0.0000 173.6112 122 N 4.9759 8.2307 115.2649 53.0343 39.5397 174.4671 123 F 4.9688 7.8362 119.4975 56.7614 39.7955 174.6852 124 G 3.8907 7.7098 108.4672 44.0263 0.0000 172.1573 125 A 3.9164 8.4309 120.6040 55.4857 18.2882 179.7521 126 D 4.2000 7.9613 116.5871 57.2924 40.8614 178.7363 127 A 3.9092 7.7112 120.9640 55.0291 18.4163 179.2928 128 Q 3.1601 7.9637 118.6532 58.8666 28.9445 178.7068 129 G 3.5024 8.2666 107.0007 47.6066 0.0000 175.6365 130 A 3.8360 8.0407 123.2130 54.8824 18.3069 179.3362 131 M 3.9324 8.1949 116.9353 58.9147 32.3361 177.6710 132 N 4.2702 8.4591 117.5062 56.9752 38.9199 176.8518 133 K 3.9127 8.1643 119.4669 59.3150 32.1134 179.2132 134 A 3.8220 8.0335 121.2205 55.1705 18.2045 179.7319 135 L 4.1391 8.3252 117.7210 57.7361 41.6750 179.5216 136 E 3.9994 8.6272 119.2970 59.0948 29.3285 179.0646 137 L 3.9518 8.2504 120.6874 58.1124 42.2190 178.6697 138 F 4.1367 8.3821 120.5504 61.6215 39.2531 177.3450 139 R 3.6332 8.4331 117.8934 58.7828 29.8874 179.0875 140 K 3.8466 8.1159 119.5762 59.4819 32.2586 178.7260 141 D 4.2850 8.0937 119.1562 57.4765 40.6975 178.7829 142 I 3.4124 7.6863 120.4219 64.2577 37.1026 178.3991 143 A 3.6238 8.0614 121.6354 54.8622 18.1110 179.5112 144 A 4.0218 7.7597 119.1018 54.9180 18.4378 180.0707 145 K 3.9949 7.7844 116.9173 59.7406 32.1792 179.0036 146 Y 4.3972 8.3460 117.4261 61.2578 37.9224 178.8481 147 K 4.0420 8.1783 120.0876 59.5236 32.0661 178.7995 148 E 4.0658 8.0995 118.2029 58.9530 29.4743 178.4558 149 L 4.3555 7.7998 116.8769 55.1017 41.9978 177.7573 150 G 3.9156 7.9718 107.2503 45.1922 0.0000 172.2599 151 Y 4.6493 8.1082 121.2480 56.2000 41.1222 175.2870 152 Q 3.2493 8.7881 128.5314 55.2033 28.9817 173.2773 153 G 3.7526 5.6952 107.3337 46.5472 0.0000 172.6225 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 0 M 8.30 4.43 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 1 V 7.92 4.21 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 0.96 0.00 0.00 2 L 8.34 4.19 0.00 1.09 0.73 0.62 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.76 4.59 0.00 4.04 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 4 E 8.72 4.30 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 2.43 2.51 0.00 5 G 8.11 3.64 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 0.00 0.00 0.00 6 E 8.09 3.96 0.00 1.93 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 2.25 0.00 7 W 8.06 4.30 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 8.50 4.17 0.00 2.30 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.80 0.00 0.00 0.00 0.00 0.00 2.46 2.78 0.00 9 L 7.95 4.10 0.00 1.88 1.75 0.88 0.58 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 10 V 7.84 3.80 2.42 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 1.17 0.00 0.00 0.91 0.00 0.00 11 L 8.64 4.37 0.00 1.82 1.80 0.94 0.88 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 12 H 8.50 4.28 0.00 3.42 3.54 0.00 5.78 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.94 3.85 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.88 0.00 0.00 14 W 8.62 3.89 0.00 3.62 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 15 A 8.01 3.94 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.35 3.93 0.00 1.65 1.69 0.00 1.65 0.00 0.00 1.48 0.00 0.00 2.72 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.46 7.81 17 V 7.00 2.88 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.39 0.00 0.00 18 E 7.48 3.83 0.00 1.95 1.89 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 2.15 2.05 0.00 19 A 7.39 4.20 1.28 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 20 D 7.89 4.65 0.00 2.68 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 7.89 3.41 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.80 0.00 0.00 22 A 7.99 4.06 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 8.16 3.88 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 0.00 0.00 0.00 24 H 8.24 4.16 0.00 3.11 3.25 0.00 5.83 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 8.39 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 26 Q 8.16 3.88 0.00 2.18 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.72 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 27 D 8.07 4.33 0.00 2.90 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 I 7.74 3.70 2.11 0.00 0.00 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 1.60 0.70 1.05 0.00 0.00 29 L 7.82 3.40 0.00 1.45 1.06 0.87 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.63 3.67 1.87 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.76 0.89 0.00 0.00 31 R 7.97 3.77 0.00 1.86 2.07 0.00 2.90 0.00 0.00 2.90 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 32 L 7.74 3.87 0.00 1.67 1.39 1.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 33 F 7.85 4.59 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 34 K 8.16 4.02 0.00 1.66 1.82 0.00 1.68 0.00 0.00 1.90 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.65 7.81 35 S 8.03 4.27 0.00 3.71 3.55 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 36 H 8.34 4.71 0.00 2.86 2.74 0.00 5.62 0.00 0.00 0.00 0.00 6.84 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 4.53 0.00 2.15 2.10 0.00 3.81 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 2.08 1.98 0.00 38 E 8.22 4.12 0.00 2.29 2.29 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 2.31 2.53 0.00 39 T 8.26 3.85 4.36 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 0.76 0.00 0.00 40 L 7.91 3.81 0.00 1.43 1.76 0.05 0.54 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 7.93 4.07 0.00 2.14 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 2.38 2.53 0.00 42 K 8.11 4.44 0.00 1.95 1.74 0.00 1.86 0.00 0.00 1.75 0.00 0.00 3.13 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.73 1.95 7.81 43 F 8.18 4.49 0.00 3.20 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 44 D 8.40 4.35 0.00 2.58 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.65 3.96 0.00 0.98 1.22 0.00 3.09 0.00 0.00 3.03 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.48 0.00 46 F 7.56 4.99 0.00 2.79 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 47 K 8.06 4.15 0.00 1.92 1.86 0.00 1.79 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.50 7.81 48 H 8.17 4.41 0.00 3.32 3.43 0.00 5.58 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 49 L 7.49 4.12 0.00 1.53 1.55 0.87 0.55 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 50 K 9.15 4.24 0.00 1.70 1.83 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.51 7.81 51 T 7.31 4.70 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 52 E 8.56 3.99 0.00 2.04 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 2.36 0.00 53 A 7.91 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 54 E 7.77 3.97 0.00 2.13 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 2.33 2.33 0.00 55 M 8.13 4.15 0.00 2.06 2.25 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 2.72 2.52 0.00 56 K 8.18 3.97 0.00 1.68 1.85 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.24 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.61 7.81 57 A 7.63 4.34 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 58 S 7.56 4.28 0.00 3.96 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 59 E 8.90 4.04 0.00 2.05 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 2.41 2.36 0.00 60 D 8.20 4.50 0.00 2.97 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 61 L 7.81 3.23 0.00 1.26 1.57 -0.12 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.90 3.91 0.00 1.88 1.91 0.00 1.67 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.48 7.81 63 K 8.17 4.07 0.00 2.10 1.92 0.00 1.77 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.73 7.81 64 H 8.68 4.48 0.00 3.64 3.61 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 8.57 3.82 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 0.00 0.00 0.00 66 V 7.71 3.60 2.29 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 1.10 0.00 0.00 0.93 0.00 0.00 67 T 7.97 3.89 4.48 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 1.32 0.00 0.00 68 F 8.52 4.32 0.00 3.15 3.22 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 69 L 7.65 3.37 0.00 1.69 1.55 0.71 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.08 3.87 4.28 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 1.23 0.00 0.00 71 A 7.95 4.04 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 72 L 7.96 3.81 0.00 1.58 1.58 0.38 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.34 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 74 A 7.73 4.02 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 75 I 7.45 3.83 1.85 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 1.55 1.11 0.89 0.00 0.00 76 L 7.79 4.03 0.00 1.21 1.51 -0.15 0.76 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 77 K 7.69 3.97 0.00 1.65 1.79 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.22 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.54 7.81 78 K 7.86 3.94 0.00 1.85 1.77 0.00 1.76 0.00 0.00 1.61 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.57 1.85 7.81 79 K 8.38 2.00 0.00 1.28 0.74 0.00 1.48 0.00 0.00 1.44 0.00 0.00 2.74 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.30 0.65 7.81 80 G 8.11 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 81 H 7.64 4.76 0.00 3.20 3.23 0.00 5.76 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 82 H 7.26 5.36 0.00 3.30 3.45 0.00 5.67 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.63 4.00 0.00 2.10 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 2.43 2.50 0.00 84 A 7.90 4.03 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 8.24 4.06 0.00 2.26 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 0.00 2.41 2.45 0.00 86 L 8.21 3.99 0.00 2.02 1.68 0.98 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.74 4.02 0.00 1.91 1.87 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.60 7.81 88 P 0.00 4.33 0.00 2.31 2.34 0.00 3.73 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.05 0.00 89 L 7.52 4.07 0.00 1.99 1.94 1.12 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.50 4.23 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 91 Q 8.38 3.90 0.00 2.16 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.77 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 92 S 8.23 4.04 0.00 4.01 4.12 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 93 H 8.71 4.11 0.00 3.62 3.63 0.00 5.80 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 8.10 2.90 0.81 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 95 T 7.47 4.16 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 1.10 0.00 0.00 96 K 7.50 4.03 0.00 1.51 1.73 0.00 1.54 0.00 0.00 1.60 0.00 0.00 3.08 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.21 1.10 7.81 97 H 7.91 4.34 0.00 2.99 3.11 0.00 5.86 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 6.82 3.26 0.00 1.85 1.75 0.00 1.44 0.00 0.00 1.59 0.00 0.00 2.99 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.24 1.17 7.81 99 I 8.05 4.34 2.10 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.95 1.13 0.00 0.00 100 P 0.00 4.63 0.00 1.94 2.00 0.00 3.15 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 0.81 1.54 0.00 101 I 8.51 3.60 1.80 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.04 0.81 0.00 0.00 102 K 8.05 3.58 0.00 1.71 1.64 0.00 1.16 0.00 0.00 1.62 0.00 0.00 3.07 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 0.82 7.81 103 Y 8.05 4.18 0.00 3.18 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 0.00 104 L 7.87 4.19 0.00 1.86 1.81 0.78 1.17 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 0.00 105 E 8.27 4.03 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.51 0.00 106 F 7.85 4.50 0.00 3.15 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 0.00 107 I 8.17 3.84 1.95 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.53 1.08 0.00 0.00 108 S 8.25 4.22 0.00 4.22 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 0.00 109 E 8.43 4.05 0.00 2.18 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 2.39 2.42 0.00 110 A 8.05 4.11 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 8.07 3.74 2.16 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.08 1.06 0.00 0.00 112 I 7.93 3.84 2.01 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.89 1.14 0.00 0.00 113 H 8.45 4.09 0.00 3.41 3.52 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.93 3.59 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 1.03 0.00 0.00 1.02 0.00 0.00 115 L 7.90 3.82 0.00 0.46 0.87 0.83 0.71 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 0.00 116 H 7.98 4.30 0.00 3.42 3.60 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.86 4.16 0.00 3.96 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 R 7.96 4.15 0.00 1.56 1.61 0.00 2.87 0.00 0.00 2.96 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.52 0.00 119 H 8.23 5.02 0.00 3.18 3.20 0.00 5.63 0.00 0.00 0.00 0.00 6.77 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 4.32 0.00 2.21 2.27 0.00 3.74 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 2.06 1.93 0.00 121 G 8.13 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 N 8.23 4.98 0.00 2.82 2.96 0.00 0.00 6.67 7.14 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 0.00 123 F 7.84 4.97 0.00 2.96 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 7.71 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 0.00 125 A 8.43 3.92 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 0.00 126 D 7.96 4.20 0.00 2.64 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 A 7.71 3.91 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 0.00 128 Q 7.96 3.16 0.00 1.18 1.90 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 2.25 2.31 0.00 129 G 8.27 3.50 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 0.00 0.00 0.00 130 A 8.04 3.84 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 0.00 131 M 8.19 3.93 0.00 2.38 2.39 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.92 0.00 132 N 8.46 4.27 0.00 2.87 2.94 0.00 0.00 7.31 6.34 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 0.00 133 K 8.16 3.91 0.00 1.82 1.68 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.81 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.52 7.81 134 A 8.03 3.82 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 8.33 4.14 0.00 1.76 1.83 1.01 1.11 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 8.63 4.00 0.00 2.14 2.00 0.00 0.00 0.00 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 2.63 0.00 137 L 8.25 3.95 0.00 1.86 1.98 1.03 1.42 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 0.00 138 F 8.38 4.14 0.00 3.13 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 0.00 139 R 8.43 3.63 0.00 2.00 1.86 0.00 3.17 0.00 0.00 3.11 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 140 K 8.12 3.85 0.00 1.79 1.98 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.43 7.81 141 D 8.09 4.28 0.00 2.85 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 I 7.69 3.41 1.23 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 0.67 -0.04 0.18 0.00 0.00 143 A 8.06 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 7.76 4.02 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 0.00 145 K 7.78 3.99 0.00 1.99 1.94 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.57 1.64 7.81 146 Y 8.35 4.40 0.00 3.16 3.20 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 0.00 147 K 8.18 4.04 0.00 1.74 1.96 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.49 7.81 148 E 8.10 4.07 0.00 2.20 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.50 0.00 149 L 7.80 4.36 0.00 1.85 1.71 0.99 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 150 G 7.97 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 0.00 0.00 0.00 151 Y 8.11 4.65 0.00 2.70 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 Q 8.79 3.25 0.00 1.15 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.93 0.00 0.00 0.00 0.00 0.00 1.97 1.75 0.00 153 G 5.70 3.75 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 0.00 0.00 0.00