NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3263 8.3049 120.3481 55.1154 32.7886 174.9145 2 L 4.1082 8.4263 127.6688 53.6716 42.0467 176.7778 3 K 4.2880 8.4955 127.0736 53.9398 31.4916 175.6233 4 Q 4.4826 7.2073 118.7836 54.7127 32.4115 173.2062 5 V 4.3811 7.7219 123.5143 62.5976 33.1656 174.6843 6 E 4.9104 8.9484 125.8286 54.8334 33.7982 175.0814 7 I 4.4659 7.8342 123.0079 59.5521 39.4239 172.7775 8 F 5.1440 9.2677 124.2436 55.7365 39.6143 174.6211 9 T 4.7376 8.3686 114.5331 60.9410 70.1902 174.5447 10 D 4.4094 8.7047 122.9538 53.5979 44.0923 175.0694 11 G 4.1000 9.1385 113.8501 45.1074 0.0000 171.6071 12 S 4.9441 8.8786 113.2655 57.8924 63.5335 173.6967 13 C 4.6244 8.3550 121.0719 59.8047 31.9016 172.6213 14 L 4.3175 8.7125 127.7919 56.4057 42.5819 177.3091 15 G 4.2214 7.2933 108.8540 45.7965 0.0000 173.7861 16 N 4.6939 7.9741 107.8175 52.8292 39.9353 172.9925 17 P 4.7484 0.0000 0.0000 62.2553 33.5488 175.5437 18 G 4.0387 8.0206 106.0006 44.9489 0.0000 171.6369 19 P 5.1832 0.0000 0.0000 62.1901 30.4423 175.8224 20 G 4.1872 7.7096 113.0736 46.3800 0.0000 167.5398 21 G 4.5328 8.7656 108.5745 46.2447 0.0000 172.4586 22 Y 5.1651 8.2104 121.1534 55.8054 41.7590 174.6891 23 G 4.8064 9.2308 111.4262 43.5571 0.0000 171.5461 24 A 5.2532 8.5257 124.8611 50.3058 23.2760 174.8902 25 I 4.4377 8.6904 122.9736 60.2408 38.6488 174.7104 26 L 4.9494 9.2261 130.7413 53.8678 44.3911 175.4697 27 R 4.4561 8.8720 125.5857 55.2764 32.3073 173.2166 28 Y 5.3296 8.3520 130.5045 55.6064 41.2548 173.9667 29 R 3.7648 7.5800 118.6908 57.3628 29.0346 176.0254 30 G 4.0305 8.5189 113.2460 45.4052 0.0000 172.2637 31 R 4.2459 7.7326 118.1897 54.9119 33.0718 174.6608 32 E 4.4090 8.8218 124.2263 56.2958 29.7996 176.7334 33 K 4.5854 8.8304 124.7053 55.3035 34.4699 176.1174 34 T 5.0082 8.0765 118.8257 62.0250 72.2319 174.2524 35 F 4.4870 9.0950 122.4494 55.7912 41.7232 172.7370 36 S 4.7600 8.5880 116.5097 55.0482 63.6368 172.8403 37 A 4.2692 7.0842 129.2444 50.4817 21.6203 175.7682 38 G 4.1055 7.9134 104.2284 44.5579 0.0000 172.3384 39 Y 4.9315 9.2642 125.6664 56.7993 40.4699 176.7087 40 T 4.3670 8.5776 108.6066 63.0224 70.4079 174.3371 41 R 4.5469 7.6068 120.6943 55.8779 32.9286 174.2484 42 T 4.1659 8.3149 118.3077 61.2353 71.6269 172.0630 43 T 4.4505 8.0601 114.3842 60.1622 70.5037 175.2498 44 N 4.2731 8.8450 121.5416 57.0191 38.9394 176.6918 45 N 4.6475 7.8819 118.5133 55.7690 38.5058 177.1428 46 R 3.8663 7.3873 119.0035 59.7587 30.2576 178.9848 47 M 3.9896 8.2896 118.5948 58.4555 31.9166 178.6512 48 E 4.0675 8.6162 118.9787 59.4166 29.6280 179.3627 49 L 3.8282 7.8815 118.8779 58.1200 41.6312 179.1211 50 M 3.5893 8.3662 118.0252 58.4754 31.8450 178.2511 51 A 4.0953 7.8455 120.4912 55.2218 18.6801 179.5278 52 A 3.8982 7.8903 119.3492 55.1598 18.3188 180.0174 53 I 3.5707 8.3181 118.7237 64.5455 37.2598 178.6003 54 V 3.3994 7.9060 119.1398 65.9325 31.0361 177.7406 55 A 3.1161 7.3782 119.1889 54.9413 18.6277 179.1575 56 L 3.9820 7.6160 117.1549 58.0783 41.5164 179.7032 57 E 3.9439 8.6561 117.8299 59.4139 29.4742 178.7559 58 A 4.1800 8.1556 120.2264 54.0035 18.5788 178.3941 59 L 3.6461 6.8949 116.3850 55.6203 41.9731 177.2939 60 K 4.4296 7.9691 122.3134 55.5686 32.3465 176.5342 61 E 4.8412 7.7474 113.4615 55.7247 30.2525 175.2065 62 H 4.3915 8.7621 122.6221 56.7085 28.6151 173.9242 63 C 5.0003 8.3689 122.3306 56.6175 35.2997 172.6460 64 E 3.9994 8.7603 118.8784 57.2970 30.2315 176.9173 65 V 4.5282 8.5070 122.5439 61.0598 35.5482 173.8029 66 I 4.2503 8.3965 128.0717 59.0570 39.8667 173.8063 67 L 4.2974 7.6633 132.1252 54.1830 43.6903 175.3374 68 S 4.7978 7.9648 119.4832 57.1836 65.8095 172.8733 69 T 4.7833 8.2465 119.9452 62.3813 71.8632 173.7197 70 D 5.1691 8.5598 120.5884 51.8325 39.4799 175.4543 71 S 4.5187 8.0007 114.0882 58.9193 64.3718 173.7318 72 Q 3.8507 8.6583 129.2191 59.4029 29.0561 177.3323 73 Y 4.3194 8.2214 120.1511 60.7838 38.4920 178.4109 74 V 3.5236 7.6887 118.2039 65.6277 32.0549 177.3513 75 R 3.2323 8.0299 118.6850 59.5954 29.7116 178.3668 76 Q 3.4578 8.0847 117.5180 58.5507 28.6984 178.4320 77 G 2.9665 6.4387 106.5902 48.3211 0.0000 175.0617 78 I 3.6320 8.1797 124.2280 62.3110 37.0516 177.7475 79 T 4.1849 7.3716 111.5120 61.1516 70.4044 174.8160 80 Q 4.5688 7.1103 122.1879 57.2866 36.9800 175.7241 81 W 3.2929 7.5725 117.7502 58.9427 29.0220 178.8723 82 I 3.1397 7.2302 119.6890 63.9974 36.2345 177.8060 83 H 4.0607 7.4904 117.8316 58.8740 29.4844 176.8748 84 N 4.1329 7.2569 117.3599 55.4870 38.8354 177.2231 85 W 4.2917 8.1110 120.7696 59.6394 29.0228 178.1017 86 K 2.8105 7.5426 119.4697 59.2887 31.3162 178.2333 87 K 3.7074 6.9839 117.7550 59.9292 32.1373 178.0471 88 R 4.0328 7.9539 117.8306 58.6881 30.1775 175.8723 89 G 3.9940 8.9303 107.9638 46.6481 0.0000 173.9975 90 W 3.6158 8.0564 115.9618 56.6587 26.8505 173.7412 91 K 4.6524 7.3434 115.7771 55.4544 36.2480 176.4207 92 T 4.2799 7.6171 110.9320 60.3862 70.9348 174.4361 93 A 4.1555 8.5801 123.4440 55.0360 18.4687 178.2035 94 D 4.7376 7.9141 113.5291 53.3519 40.0347 176.2769 95 K 3.6356 8.0538 118.7226 58.0718 28.8268 174.2188 96 K 4.4555 8.2475 120.9311 54.3528 36.7302 173.6982 97 P 4.4640 0.0000 0.0000 62.4138 32.0128 176.5724 98 V 3.3948 7.8445 119.8897 62.0862 32.2188 175.4366 99 K 4.0513 8.1330 126.4159 57.0635 32.9095 176.1957 100 N 4.4051 8.9577 124.7926 54.8704 37.3471 176.3420 101 V 3.8431 7.9161 119.2355 64.4998 31.6822 176.5633 102 D 4.4624 8.0534 119.3533 56.6033 39.2054 178.6715 103 L 3.9759 7.8237 120.6989 56.5498 41.6838 179.3004 104 W 4.4053 8.2904 118.9878 60.0608 29.0101 178.2417 105 Q 3.7089 8.7642 118.9003 59.1121 28.1575 179.1661 106 R 3.8313 7.9214 119.3953 60.0175 29.9018 177.6628 107 L 4.0663 8.0519 120.2553 57.5384 42.1931 177.9319 108 D 4.7553 9.3900 117.6128 57.8649 41.2071 179.0213 109 A 4.0694 8.6615 120.0987 55.0602 18.3967 179.2094 110 A 4.0541 7.8045 118.6074 55.2848 17.6699 179.5370 111 L 4.2282 9.1158 118.8486 57.2994 42.3888 178.2446 112 G 4.1903 7.6899 106.3902 43.8166 0.0000 172.8180 113 Q 4.6909 7.4713 118.2945 57.0686 35.3064 176.2619 114 H 4.9708 7.1676 111.7204 53.3512 32.0247 173.3690 115 Q 4.2431 8.4642 117.0953 55.6059 29.2757 175.5647 116 I 4.2314 8.2276 125.8287 60.2515 38.7435 175.8181 117 K 4.2417 8.0437 127.6826 54.1352 34.0657 174.8056 118 W 3.9246 8.5404 127.6532 56.1541 29.5098 176.3283 119 E 4.3261 8.9308 128.8652 54.5125 28.7438 173.4345 120 W 5.0421 8.2911 124.1410 56.0212 30.1054 175.8077 121 V 4.5821 8.4037 117.6281 59.5598 34.3254 176.2833 122 K 4.3657 8.7072 124.3639 55.5970 33.9306 176.8916 123 G 4.0831 8.2950 108.4411 44.9819 0.0000 172.9491 124 H 4.9554 7.8012 113.7689 56.8148 34.7349 175.6897 125 A 4.5785 7.1069 121.7049 51.3081 19.3074 177.5040 126 G 3.6305 7.8856 108.1958 47.2771 0.0000 174.5117 127 H 4.8654 8.0758 118.7491 53.5355 32.0613 174.7816 128 P 4.4026 0.0000 0.0000 65.8522 31.2444 178.3491 129 E 3.7957 8.1022 118.0103 59.3581 29.3625 178.7361 130 N 4.3393 8.0924 115.7535 56.5832 38.6847 176.9958 131 E 3.9923 7.7024 118.4151 59.5623 29.4415 179.5311 132 R 3.9375 8.0995 118.6886 59.2982 29.9910 178.3861 133 C 4.1292 8.1002 116.8154 62.8876 28.2030 175.4727 134 D 4.5675 8.1085 120.8886 56.6203 40.6985 177.7419 135 E 3.8868 8.1316 119.7842 59.4731 29.6733 178.8188 136 L 3.9381 8.1686 118.7653 57.6828 41.5722 179.1713 137 A 3.9705 8.1629 120.8422 55.3980 18.3750 179.4222 138 R 3.7466 8.5442 116.8712 59.7516 29.8701 178.4809 139 A 3.9914 7.9523 119.1628 55.0912 18.5266 179.1420 140 A 4.0495 8.0899 119.0377 54.9847 18.3739 179.4884 141 A 3.9854 8.3912 119.0566 55.0837 18.4974 178.5739 142 M 4.6170 7.7525 115.4376 54.3175 34.8023 177.2059 143 N 4.8857 7.9568 115.0248 52.4232 41.0178 170.4266 144 P 4.6544 0.0000 0.0000 62.4599 32.5133 178.2005 145 T 4.6458 8.4167 116.2888 59.7861 68.9238 172.9632 146 L 4.3153 7.4521 121.4709 55.7752 45.2757 173.9365 147 E 4.6201 8.0891 118.3236 55.3354 32.4064 175.1245 148 D 4.7274 8.8107 125.2114 54.3554 40.5216 175.4705 149 T 4.3127 8.6979 123.8675 65.2835 69.7621 176.5382 150 G 4.0566 7.8643 109.8445 45.7803 0.0000 172.8716 151 Y 4.8811 7.5927 113.2730 56.3812 39.7447 174.4600 152 Q 4.5116 7.6887 114.4634 55.1406 33.3775 175.3507 153 V 4.5082 7.6651 117.4479 61.9629 31.8390 174.1812 154 E 3.9275 8.1632 122.5835 57.7533 30.2636 177.7963 155 V 3.6215 7.7363 121.4395 63.3395 32.5382 171.6845 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 M 8.30 4.33 0.00 1.98 2.06 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.56 0.00 2 L 8.43 4.11 0.00 1.78 1.62 0.95 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 3 K 8.50 4.29 0.00 1.71 1.73 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.56 1.34 7.81 4 Q 7.21 4.48 0.00 1.91 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.02 0.00 0.00 0.00 0.00 0.00 2.18 2.32 0.00 5 V 7.72 4.38 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 0.93 0.00 0.00 1.08 0.00 0.00 6 E 8.95 4.91 0.00 2.10 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 2.18 2.46 0.00 7 I 7.83 4.47 1.62 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.53 0.78 0.00 0.00 8 F 9.27 5.14 0.00 3.05 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 9 T 8.37 4.74 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 1.28 0.00 0.00 10 D 8.70 4.41 0.00 2.81 2.74 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 11 G 9.14 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.88 4.94 0.00 3.89 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 13 C 8.35 4.62 0.00 2.96 2.91 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 14 L 8.71 4.32 0.00 1.69 1.71 0.98 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 15 G 7.29 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 0.00 0.00 0.00 16 N 7.97 4.69 0.00 2.68 2.70 0.00 0.00 6.87 7.72 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 17 P 0.00 4.75 0.00 2.02 1.98 0.00 3.90 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.15 0.00 18 G 8.02 4.04 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 0.00 0.00 0.00 19 P 0.00 5.18 0.00 2.10 2.12 0.00 3.35 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.82 0.00 20 G 7.71 4.19 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 0.00 0.00 0.00 21 G 8.77 4.53 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 22 Y 8.21 5.17 0.00 3.15 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 G 9.23 4.81 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 24 A 8.53 5.25 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 25 I 8.69 4.44 1.92 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.47 0.92 0.00 0.00 26 L 9.23 4.95 0.00 2.04 1.89 0.51 0.55 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 27 R 8.87 4.46 0.00 2.13 1.93 0.00 3.23 0.00 0.00 3.14 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 28 Y 8.35 5.33 0.00 3.06 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 29 R 7.58 3.76 0.00 1.59 1.74 0.00 3.21 0.00 0.00 2.87 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.14 0.00 30 G 8.52 4.03 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 0.00 0.00 0.00 31 R 7.73 4.25 0.00 2.05 1.90 0.00 3.18 0.00 0.00 3.20 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.74 0.00 32 E 8.82 4.41 0.00 1.88 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 2.36 2.38 0.00 33 K 8.83 4.59 0.00 1.97 1.64 0.00 1.59 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.69 7.81 34 T 8.08 5.01 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 1.21 0.00 0.00 35 F 9.10 4.49 0.00 2.99 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 36 S 8.59 4.76 0.00 3.74 3.62 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 A 7.08 4.27 1.05 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 0.00 0.00 38 G 7.91 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 Y 9.26 4.93 0.00 3.09 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 40 T 8.58 4.37 4.26 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 1.28 0.00 0.00 41 R 7.61 4.55 0.00 1.54 1.67 0.00 3.24 0.00 0.00 3.14 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 42 T 8.31 4.17 3.87 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 1.08 0.00 0.00 43 T 8.06 4.45 4.21 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 1.35 0.00 0.00 44 N 8.84 4.27 0.00 2.78 2.86 0.00 0.00 7.07 6.75 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 45 N 7.88 4.65 0.00 2.24 1.42 0.00 0.00 7.58 7.60 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 46 R 7.39 3.87 0.00 1.87 1.86 0.00 3.29 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 47 M 8.29 3.99 0.00 2.27 2.31 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.81 0.00 48 E 8.62 4.07 0.00 2.40 2.14 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 2.44 2.72 0.00 49 L 7.88 3.83 0.00 1.80 1.46 -0.50 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 50 M 8.37 3.59 0.00 1.58 1.70 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.79 0.00 51 A 7.85 4.10 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 52 A 7.89 3.90 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 53 I 8.32 3.57 1.78 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.93 0.91 0.00 0.00 54 V 7.91 3.40 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 1.17 0.00 0.00 0.83 0.00 0.00 55 A 7.38 3.12 1.09 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 0.00 0.00 56 L 7.62 3.98 0.00 1.84 1.74 0.94 0.93 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 57 E 8.66 3.94 0.00 2.04 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 2.35 2.44 0.00 58 A 8.16 4.18 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 59 L 6.89 3.65 0.00 1.74 1.67 0.88 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 60 K 7.97 4.43 0.00 1.87 1.85 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.63 1.54 7.81 61 E 7.75 4.84 0.00 2.06 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 2.17 2.26 0.00 62 H 8.76 4.39 0.00 3.08 3.29 0.00 5.64 0.00 0.00 0.00 0.00 6.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 C 8.37 5.00 0.00 3.10 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.76 4.00 0.00 1.92 1.84 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 2.40 2.33 0.00 65 V 8.51 4.53 1.70 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 0.59 0.00 0.00 0.74 0.00 0.00 66 I 8.40 4.25 1.71 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 1.28 0.80 0.00 0.00 67 L 7.66 4.30 0.00 0.98 0.61 0.55 0.44 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 68 S 7.96 4.80 0.00 3.59 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 69 T 8.25 4.78 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 1.25 0.00 0.00 70 D 8.56 5.17 0.00 2.93 2.90 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 71 S 8.00 4.52 0.00 4.26 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 72 Q 8.66 3.85 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.73 0.00 0.00 0.00 0.00 0.00 2.43 2.35 0.00 73 Y 8.22 4.32 0.00 3.18 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 V 7.69 3.52 2.25 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 1.07 0.00 0.00 1.00 0.00 0.00 75 R 8.03 3.23 0.00 1.79 1.57 0.00 2.69 0.00 0.00 2.87 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.50 0.00 76 Q 8.08 3.46 0.00 1.35 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.56 0.00 0.00 0.00 0.00 0.00 2.10 2.09 0.00 77 G 6.44 2.97 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 0.00 0.00 0.00 0.00 0.00 0.00 78 I 8.18 3.63 1.55 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.82 0.57 0.00 0.00 79 T 7.37 4.18 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 0.92 0.00 0.00 80 Q 7.11 4.57 0.00 1.66 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.98 6.93 0.00 0.00 0.00 0.00 0.00 2.18 2.17 0.00 81 W 7.57 3.29 0.00 2.41 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 0.00 0.00 0.00 82 I 7.23 3.14 1.81 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.17 0.67 0.00 0.00 83 H 7.49 4.06 0.00 3.10 3.12 0.00 5.77 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 N 7.26 4.13 0.00 2.64 2.70 0.00 0.00 7.10 7.37 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 85 W 8.11 4.29 0.00 2.81 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 86 K 7.54 2.81 0.00 1.01 1.52 0.00 1.74 0.00 0.00 1.52 0.00 0.00 2.84 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.17 1.58 7.81 87 K 6.98 3.71 0.00 1.80 1.89 0.00 1.78 0.00 0.00 1.52 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.42 7.81 88 R 7.95 4.03 0.00 2.00 2.06 0.00 3.47 0.00 0.00 3.23 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 89 G 8.93 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 90 W 8.06 3.62 0.00 3.38 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 K 7.34 4.65 0.00 1.71 1.65 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.72 7.81 92 T 7.62 4.28 4.15 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 0.00 0.00 0.00 0.97 0.00 0.00 93 A 8.58 4.16 1.30 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 0.00 0.00 0.00 94 D 7.91 4.74 0.00 2.77 2.74 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 95 K 8.05 3.64 0.00 1.87 1.85 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.35 1.43 7.81 96 K 8.25 4.46 0.00 1.73 1.58 0.00 1.76 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.32 1.32 7.81 97 P 0.00 4.46 0.00 2.12 2.00 0.00 3.70 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.91 0.00 98 V 7.84 3.39 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 0.04 0.00 0.00 0.68 0.00 0.00 99 K 8.13 4.05 0.00 1.71 1.79 0.00 1.80 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.48 1.56 7.81 100 N 8.96 4.41 0.00 3.16 3.07 0.00 0.00 6.56 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 V 7.92 3.84 2.27 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 0.77 0.00 0.00 0.75 0.00 0.00 102 D 8.05 4.46 0.00 2.87 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 L 7.82 3.98 0.00 1.53 1.60 0.84 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 104 W 8.29 4.41 0.00 3.64 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 0.00 105 Q 8.76 3.71 0.00 2.09 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.62 0.00 0.00 0.00 0.00 0.00 1.67 1.94 0.00 106 R 7.92 3.83 0.00 2.04 2.00 0.00 3.08 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 107 L 8.05 4.07 0.00 1.91 2.07 1.07 1.45 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 0.00 108 D 9.39 4.76 0.00 3.31 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 0.00 109 A 8.66 4.07 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 0.00 110 A 7.80 4.05 1.44 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 0.00 111 L 9.12 4.23 0.00 1.91 1.89 1.38 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 112 G 7.69 4.19 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 0.00 0.00 0.00 113 Q 7.47 4.69 0.00 1.71 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.69 0.00 0.00 0.00 0.00 0.00 2.13 1.99 0.00 114 H 7.17 4.97 0.00 3.23 3.25 0.00 5.57 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 Q 8.46 4.24 0.00 2.10 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 7.08 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 116 I 8.23 4.23 1.80 0.00 0.00 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 1.41 0.77 -0.06 0.00 0.00 117 K 8.04 4.24 0.00 1.72 1.47 0.00 1.50 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.22 1.32 7.81 118 W 8.54 3.92 0.00 3.15 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 0.00 0.00 0.00 119 E 8.93 4.33 0.00 1.88 1.73 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 2.28 2.27 0.00 120 W 8.29 5.04 0.00 3.23 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 0.00 121 V 8.40 4.58 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 0.82 0.00 0.00 1.05 0.00 0.00 122 K 8.71 4.37 0.00 1.79 1.87 0.00 1.80 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.49 1.46 7.81 123 G 8.29 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 H 7.80 4.96 0.00 3.23 3.38 0.00 5.52 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 0.00 125 A 7.11 4.58 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 G 7.89 3.63 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 0.00 0.00 0.00 127 H 8.08 4.87 0.00 3.16 3.21 0.00 5.62 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 P 0.00 4.40 0.00 2.23 2.29 0.00 3.72 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.04 0.00 129 E 8.10 3.80 0.00 1.77 1.44 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 2.04 2.27 0.00 130 N 8.09 4.34 0.00 2.95 2.91 0.00 0.00 7.24 8.01 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 0.00 131 E 7.70 3.99 0.00 2.24 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 2.34 2.55 0.00 132 R 8.10 3.94 0.00 1.84 2.01 0.00 3.07 0.00 0.00 3.13 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 133 C 8.10 4.13 0.00 3.35 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 0.00 134 D 8.11 4.57 0.00 2.91 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 0.00 135 E 8.13 3.89 0.00 2.26 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 2.31 2.36 0.00 136 L 8.17 3.94 0.00 1.89 1.70 0.93 0.91 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 0.00 137 A 8.16 3.97 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 0.00 138 R 8.54 3.75 0.00 1.93 2.07 0.00 3.11 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 139 A 7.95 3.99 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 0.00 140 A 8.09 4.05 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 0.00 141 A 8.39 3.99 1.46 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 0.00 0.00 0.00 142 M 7.75 4.62 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.67 0.00 143 N 7.96 4.89 0.00 2.71 2.64 0.00 0.00 7.00 8.46 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 0.00 144 P 0.00 4.65 0.00 2.21 2.21 0.00 3.79 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 145 T 8.42 4.65 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 1.25 0.00 0.00 146 L 7.45 4.32 0.00 1.43 0.99 0.66 0.77 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 0.00 147 E 8.09 4.62 0.00 1.89 1.79 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 2.25 2.34 0.00 148 D 8.81 4.73 0.00 2.64 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 0.00 0.00 0.00 0.00 149 T 8.70 4.31 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 1.26 0.00 0.00 150 G 7.86 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 0.00 151 Y 7.59 4.88 0.00 2.87 2.94 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 0.00 152 Q 7.69 4.51 0.00 2.04 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.11 0.00 0.00 0.00 0.00 0.00 2.20 2.36 0.00 153 V 7.67 4.51 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 0.71 0.00 0.00 0.90 0.00 0.00 154 E 8.16 3.93 0.00 1.99 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 2.30 2.28 0.00 155 V 7.74 3.62 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 0.77 0.00 0.00 0.92 0.00 0.00