NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 A 4.1219 8.2601 123.5830 51.7429 19.8444 176.3607 6 A 4.1640 8.3137 122.5387 51.5727 17.4046 175.5502 7 R 4.6787 8.1151 122.0077 56.7049 32.6189 174.9589 8 S 4.5804 8.7102 113.6348 56.8187 64.1255 173.1230 9 P 4.4591 0.0000 0.0000 64.4290 31.0574 177.3174 10 A 4.6011 7.9421 120.1558 52.5631 19.5268 177.0373 11 D 4.6923 8.0175 117.4992 53.2150 42.1016 177.6208 12 Q 2.5200 8.4897 122.3845 58.7584 28.7810 178.7809 13 D 4.4730 7.8964 115.7235 56.3137 41.0128 176.9269 14 R 4.5492 7.9724 117.0149 55.7787 30.5849 176.4953 15 F 4.7539 7.8298 117.6885 57.3979 39.5705 175.5069 16 I 4.0903 8.6831 116.0393 61.3132 38.9404 174.3666 17 C 5.1015 8.5845 120.2921 58.1077 30.8048 173.4537 18 I 4.5796 8.4185 122.9618 59.8534 40.2449 174.1750 19 Y 4.4087 6.6071 124.1362 55.3796 40.0916 175.0572 20 P 4.1140 0.0000 0.0000 65.7395 31.9327 178.6258 21 A 4.0549 7.8697 120.4222 55.3541 18.6353 178.9883 22 Y 4.8264 7.8603 112.9787 60.0569 38.1259 177.7234 23 L 4.5356 8.0878 117.5779 54.1560 42.7328 175.2076 24 N 4.9674 8.0086 119.7991 52.8821 38.9701 175.1939 25 N 4.6589 9.4835 123.5452 54.1873 37.6465 176.1664 26 K 4.5860 8.7902 118.2765 56.1772 32.5272 176.0141 27 K 4.8172 7.6394 118.3758 54.7088 34.4623 176.2444 28 T 4.4222 9.0110 112.6327 60.5899 70.5586 176.0103 29 I 3.8583 8.3508 121.2127 64.5892 36.7460 178.4591 30 A 4.0413 7.9884 119.9455 55.0792 18.3296 178.6334 31 E 4.2780 7.9581 114.7665 56.6182 30.1395 177.1378 32 G 4.1892 8.4225 107.3775 45.3063 0.0000 174.2518 33 R 4.5201 7.9927 121.3985 56.7901 30.3430 176.2646 34 R 4.4681 8.9039 123.3979 55.7265 31.6359 175.7598 35 I 4.6650 7.3326 110.3485 57.1966 40.7906 173.9226 36 P 4.3858 0.0000 0.0000 63.2739 32.6125 177.2822 37 I 3.7232 8.3108 120.5751 64.6831 37.1442 178.3797 38 S 4.2509 8.0831 113.6964 61.1672 62.7736 175.8853 39 K 4.2909 7.8827 118.8325 56.0875 32.6164 176.5420 40 A 4.3809 7.2081 120.8724 51.9190 19.4669 176.7196 41 V 4.5202 8.7104 111.9488 59.3696 36.0500 174.6208 42 E 4.5915 8.6488 122.6140 55.3893 30.5439 175.8072 43 N 4.1774 8.7848 123.4734 53.3471 36.4837 172.9070 44 P 4.5450 0.0000 0.0000 63.1129 32.5067 176.1971 45 T 4.6235 8.5292 110.4774 59.6437 72.5990 175.3374 46 A 3.9539 8.3299 123.3274 55.6076 18.4107 180.2426 47 T 3.7976 7.7870 113.8318 66.8242 68.5933 176.5850 48 E 3.9758 8.1232 120.4256 59.3268 29.4076 179.4552 49 I 3.6538 7.7935 119.8493 64.3642 37.2028 178.0904 50 Q 3.9109 8.2907 120.6539 59.3691 28.8554 178.2705 51 D 4.3428 8.1522 119.6487 57.6525 40.5586 179.3165 52 V 3.7778 7.8660 112.7793 64.3214 31.3528 178.6009 53 C 4.1974 8.3184 116.8963 62.7790 28.0123 175.9308 54 S 4.2243 8.6108 114.9443 61.3789 61.7139 176.0768 55 A 4.1185 7.9861 122.9083 54.6204 18.1627 178.9565 56 V 4.0675 7.2493 114.0618 61.9513 31.8788 177.1129 57 G 3.9756 8.0311 107.9361 45.1170 0.0000 173.9519 58 L 4.1702 7.0975 119.5092 54.2508 42.8766 176.2527 59 N 4.6996 8.4721 121.2471 53.1414 39.8332 174.1697 60 V 5.2447 8.3341 118.5111 59.8778 36.2688 174.6217 61 F 5.1014 8.7770 116.2524 55.4005 41.7232 172.8319 62 L 4.8346 8.7282 122.3908 53.8309 43.9112 176.0613 63 E 4.5370 8.9498 127.0071 54.3396 29.1249 176.5530 64 K 3.8713 8.7130 124.2190 58.8649 32.4214 177.8435 65 N 4.8601 7.9143 112.5214 52.6530 39.3325 175.0657 66 K 4.2705 7.8390 119.0609 56.5691 32.8687 175.8698 67 M 5.1207 8.3735 120.9818 53.5299 35.4181 174.6531 68 Y 4.1705 8.3038 121.9329 56.6167 39.8035 176.7319 69 S 3.9894 8.0964 123.0636 61.5905 63.0212 175.5382 70 R 3.8783 6.1979 116.2497 56.6018 30.1926 175.5022 71 E 4.3752 7.6354 120.4625 54.1096 30.1158 175.7365 72 W 4.2214 8.4862 124.0680 58.4424 28.9279 175.9757 73 N 3.2800 7.0149 118.6942 52.7485 38.0679 174.3921 74 R 4.3836 8.1286 123.9238 56.1040 30.5959 176.5024 75 D 4.5474 8.4729 119.4617 54.0936 41.6504 177.5746 76 V 3.5591 8.5092 121.4705 66.1459 31.5469 178.3766 77 Q 3.8803 7.7899 116.2544 58.6336 28.4094 176.3897 78 Y 4.4554 7.6201 114.5071 58.1126 38.3876 175.6697 79 R 4.4402 7.5182 119.5246 55.4919 31.6033 175.5603 80 G 4.1572 8.2822 108.7511 44.3509 0.0000 173.6847 81 R 4.4425 8.6124 121.7016 54.3959 34.1195 173.5966 82 V 4.5589 8.4012 125.2825 61.1018 34.3967 174.2326 83 R 4.8607 8.2930 126.6945 54.4333 32.5110 175.3455 84 V 4.5718 8.4858 122.8129 60.9060 34.8867 174.0170 85 Q 3.5559 8.0415 129.7400 55.5783 28.7471 175.3219 86 L 4.3772 8.4790 126.0306 55.3773 43.1283 176.5342 87 K 5.0265 7.4695 115.0508 54.3886 35.9635 175.7021 88 Q 4.3742 8.9392 120.8336 54.6989 29.8857 176.8632 89 E 3.9739 8.8511 119.8334 59.6934 29.4120 177.2197 90 D 4.5934 8.0522 114.7699 53.3945 39.5226 177.0830 91 G 3.9871 8.5585 109.9179 45.5727 0.0000 174.5160 92 S 4.4278 8.2840 114.7387 57.2734 64.0046 173.7989 93 L 4.5005 8.1820 121.7348 55.1235 42.0419 177.5233 94 C 4.3066 8.9493 121.5163 62.2230 28.5204 174.6531 95 L 4.7400 7.6018 118.8319 52.7638 44.7423 177.6645 96 V 3.8133 8.5589 117.3412 64.3336 31.6812 177.4691 97 Q 3.7821 7.8099 119.3684 57.8714 29.0925 175.9729 98 F 5.3847 8.1064 115.9247 53.9998 38.9340 172.7770 99 P 4.4929 0.0000 0.0000 64.1731 32.2763 177.4937 100 S 4.6758 7.5790 113.1564 56.0091 67.0807 174.9188 101 R 3.9254 8.5309 121.0379 59.2790 29.6964 179.1315 102 K 3.9278 8.0874 119.1859 59.5683 32.3013 178.7227 103 S 4.2106 8.3124 114.5558 61.5489 62.7278 176.7815 104 V 3.6260 7.7930 121.9112 65.9171 31.2998 177.9364 105 M 4.1061 8.3545 118.6640 58.4991 31.7804 178.7858 106 L 4.0558 8.3419 119.3911 57.7655 41.7923 178.8659 107 Y 4.0458 8.2054 119.1713 60.7838 38.8030 177.9332 108 A 3.9037 8.4485 121.6115 55.2598 18.2488 179.4240 109 A 3.9025 7.8772 118.0526 55.2033 18.4717 179.1906 110 E 3.9437 7.9747 117.1829 59.6645 30.0219 178.5840 111 M 4.0763 7.7963 118.4744 57.7528 32.0924 178.5880 112 I 3.6580 7.7739 120.2814 64.0856 37.1142 176.5645 113 P 4.3869 0.0000 0.0000 64.5176 31.2921 177.7326 114 K 4.3043 7.6930 115.6540 55.4351 32.6933 176.9789 115 L 4.0483 7.3928 121.7384 54.3954 42.0900 177.9036 116 K 3.6034 8.9045 125.1012 59.8424 32.0797 177.6977 117 T 4.0388 7.9029 106.5073 63.1151 68.9744 174.2326 118 R 4.1987 8.4969 127.4646 56.3874 30.3608 175.5805 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 5 A 8.26 4.12 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 6 A 8.31 4.16 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 7 R 8.12 4.68 0.00 1.77 1.91 0.00 3.39 0.00 0.00 3.29 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 8 S 8.71 4.58 0.00 4.00 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 9 P 0.00 4.46 0.00 2.38 2.19 0.00 3.82 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 2.05 2.12 0.00 10 A 7.94 4.60 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 11 D 8.02 4.69 0.00 2.90 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.49 2.52 0.00 1.77 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.92 0.00 0.00 0.00 0.00 0.00 1.77 2.07 0.00 13 D 7.90 4.47 0.00 2.65 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 14 R 7.97 4.55 0.00 2.11 2.04 0.00 3.38 0.00 0.00 3.26 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.93 0.00 15 F 7.83 4.75 0.00 2.86 3.08 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 16 I 8.68 4.09 1.90 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 1.19 0.62 0.93 0.00 0.00 17 C 8.58 5.10 0.00 2.90 2.55 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 18 I 8.42 4.58 1.74 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.80 0.89 0.00 0.00 19 Y 6.61 4.41 0.00 1.50 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.11 0.00 2.16 2.30 0.00 3.65 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 2.10 2.13 0.00 21 A 7.87 4.05 1.12 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 0.00 0.00 22 Y 7.86 4.83 0.00 3.05 2.83 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 0.00 0.00 0.00 0.00 23 L 8.09 4.54 0.00 1.72 1.67 0.93 0.43 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 24 N 8.01 4.97 0.00 2.89 2.74 0.00 0.00 6.94 7.71 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 25 N 9.48 4.66 0.00 2.96 3.06 0.00 0.00 6.44 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.79 4.59 0.00 1.87 1.89 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.40 7.81 27 K 7.64 4.82 0.00 1.94 1.77 0.00 1.90 0.00 0.00 1.85 0.00 0.00 3.16 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.40 7.81 28 T 9.01 4.42 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 1.23 0.00 0.00 29 I 8.35 3.86 1.88 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 1.58 0.70 0.92 0.00 0.00 30 A 7.99 4.04 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 31 E 7.96 4.28 0.00 2.26 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 2.40 2.36 0.00 32 G 8.42 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 33 R 7.99 4.52 0.00 1.85 2.00 0.00 3.33 0.00 0.00 3.51 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.64 0.00 34 R 8.90 4.47 0.00 1.65 1.76 0.00 3.06 0.00 0.00 3.06 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.55 0.00 35 I 7.33 4.67 1.89 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 1.68 0.69 0.93 0.00 0.00 36 P 0.00 4.39 0.00 2.29 2.24 0.00 3.71 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.08 0.00 37 I 8.31 3.72 1.88 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 1.71 0.55 0.92 0.00 0.00 38 S 8.08 4.25 0.00 4.02 4.01 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 39 K 7.88 4.29 0.00 1.75 1.90 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.49 7.81 40 A 7.21 4.38 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 41 V 8.71 4.52 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 0.75 0.00 0.00 0.97 0.00 0.00 42 E 8.65 4.59 0.00 1.98 1.83 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 0.00 2.26 2.18 0.00 43 N 8.78 4.18 0.00 2.82 2.79 0.00 0.00 7.04 8.02 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 44 P 0.00 4.54 0.00 2.15 2.04 0.00 3.72 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.96 0.00 45 T 8.53 4.62 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 46 A 8.33 3.95 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 47 T 7.79 3.80 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 1.20 0.00 0.00 48 E 8.12 3.98 0.00 2.16 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 2.31 2.32 0.00 49 I 7.79 3.65 1.96 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 1.38 0.71 0.85 0.00 0.00 50 Q 8.29 3.91 0.00 2.06 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 51 D 8.15 4.34 0.00 2.87 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 52 V 7.87 3.78 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 0.98 0.00 0.00 1.03 0.00 0.00 53 C 8.32 4.20 0.00 2.98 2.83 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 0.00 0.00 0.00 0.00 54 S 8.61 4.22 0.00 3.89 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 55 A 7.99 4.12 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 56 V 7.25 4.07 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 0.60 0.00 0.00 0.81 0.00 0.00 57 G 8.03 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 0.00 0.00 0.00 58 L 7.10 4.17 0.00 1.48 1.39 0.01 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 59 N 8.47 4.70 0.00 2.81 2.53 0.00 0.00 6.83 7.71 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 60 V 8.33 5.24 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 0.68 0.00 0.00 0.92 0.00 0.00 61 F 8.78 5.10 0.00 3.11 3.15 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 0.00 62 L 8.73 4.83 0.00 1.71 1.63 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 63 E 8.95 4.54 0.00 1.89 1.91 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 2.47 2.27 0.00 64 K 8.71 3.87 0.00 1.75 1.89 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.49 7.81 65 N 7.91 4.86 0.00 2.71 2.84 0.00 0.00 6.93 7.61 0.00 0.00 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 K 7.84 4.27 0.00 1.79 1.81 0.00 1.67 0.00 0.00 1.87 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.40 7.81 67 M 8.37 5.12 0.00 2.00 1.98 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 2.53 2.53 0.00 68 Y 8.30 4.17 0.00 2.68 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 69 S 8.10 3.99 0.00 3.56 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 70 R 6.20 3.88 0.00 1.43 1.84 0.00 3.29 0.00 0.00 3.30 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.88 0.00 71 E 7.64 4.38 0.00 1.92 1.94 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 1.99 2.01 0.00 72 W 8.49 4.22 0.00 3.65 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 73 N 7.01 3.28 0.00 1.44 1.42 0.00 0.00 7.18 7.51 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 74 R 8.13 4.38 0.00 1.81 1.92 0.00 3.29 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.69 0.00 75 D 8.47 4.55 0.00 3.06 2.55 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 76 V 8.51 3.56 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 0.97 0.00 0.00 0.92 0.00 0.00 77 Q 7.79 3.88 0.00 1.84 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.72 0.00 0.00 0.00 0.00 0.00 1.70 1.16 0.00 78 Y 7.62 4.46 0.00 3.08 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 79 R 7.52 4.44 0.00 1.93 2.00 0.00 3.15 0.00 0.00 3.31 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 80 G 8.28 4.16 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 0.00 0.00 0.00 81 R 8.61 4.44 0.00 1.54 1.46 0.00 2.29 0.00 0.00 2.39 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.50 0.00 82 V 8.40 4.56 1.91 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 0.87 0.00 0.00 0.86 0.00 0.00 83 R 8.29 4.86 0.00 0.67 1.42 0.00 3.02 0.00 0.00 3.02 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 1.06 0.00 84 V 8.49 4.57 1.94 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 0.71 0.00 0.00 0.78 0.00 0.00 85 Q 8.04 3.56 0.00 0.93 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.58 0.00 0.00 0.00 0.00 0.00 2.13 1.99 0.00 86 L 8.48 4.38 0.00 1.70 1.66 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.47 5.03 0.00 1.69 1.66 0.00 1.75 0.00 0.00 1.84 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.41 7.81 88 Q 8.94 4.37 0.00 2.23 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.74 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 89 E 8.85 3.97 0.00 1.95 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 2.35 0.00 90 D 8.05 4.59 0.00 2.81 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 91 G 8.56 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 92 S 8.28 4.43 0.00 4.01 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 93 L 8.18 4.50 0.00 1.65 1.65 0.91 0.93 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 94 C 8.95 4.31 0.00 2.91 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 95 L 7.60 4.74 0.00 1.84 1.55 1.07 0.98 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 96 V 8.56 3.81 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 0.63 0.00 0.00 0.85 0.00 0.00 97 Q 7.81 3.78 0.00 1.63 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.24 0.00 0.00 0.00 0.00 0.00 1.16 1.63 0.00 98 F 8.11 5.38 0.00 2.95 2.83 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 0.00 0.00 0.00 0.00 99 P 0.00 4.49 0.00 2.18 2.16 0.00 3.83 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 2.00 1.93 0.00 100 S 7.58 4.68 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 0.00 101 R 8.53 3.93 0.00 1.88 2.05 0.00 3.15 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.71 0.00 102 K 8.09 3.93 0.00 1.82 1.83 0.00 1.73 0.00 0.00 1.88 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.52 7.81 103 S 8.31 4.21 0.00 4.21 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 0.00 104 V 7.79 3.63 2.19 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 0.94 0.00 0.00 0.74 0.00 0.00 105 M 8.35 4.11 0.00 2.16 2.29 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 2.90 2.70 0.00 106 L 8.34 4.06 0.00 1.77 1.78 0.96 1.04 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 0.00 107 Y 8.21 4.05 0.00 3.53 3.32 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 0.00 108 A 8.45 3.90 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 0.00 109 A 7.88 3.90 1.45 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 0.00 0.00 110 E 7.97 3.94 0.00 2.04 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 2.21 2.29 0.00 111 M 7.80 4.08 0.00 1.90 1.77 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 1.66 1.81 0.00 112 I 7.77 3.66 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.77 0.93 0.00 0.00 113 P 0.00 4.39 0.00 1.99 2.09 0.00 3.76 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 1.99 2.14 0.00 114 K 7.69 4.30 0.00 1.84 1.82 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.42 1.43 7.81 115 L 7.39 4.05 0.00 1.77 1.59 0.93 0.73 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 0.00 116 K 8.90 3.60 0.00 1.70 1.86 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.45 7.81 117 T 7.90 4.04 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 R 8.50 4.20 0.00 1.86 1.83 0.00 3.41 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.51 0.00