NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.5722 8.3649 120.3137 52.9872 41.1085 175.1250 6 C 4.1479 7.8416 116.8294 58.5534 29.1733 173.1058 7 C 4.4162 8.2090 122.9193 55.3403 39.0419 173.7035 8 S 4.4770 8.6458 123.3273 57.7018 64.9436 174.3931 9 Y 3.8571 8.4374 121.7921 60.7753 38.4745 177.3572 10 E 4.0450 8.3063 119.1374 59.5141 29.5290 178.8962 11 D 4.3534 8.2697 119.1195 57.5006 40.9829 179.1068 12 R 3.7832 7.8110 118.5090 59.0500 29.8262 179.1516 13 R 3.8389 7.7820 118.6781 59.2204 30.0677 178.3085 14 E 4.0312 8.5642 118.9074 59.6983 29.4360 179.5147 15 I 4.0264 8.1419 119.8832 64.1972 37.0991 178.7514 16 R 4.0209 7.8372 118.6846 59.5636 29.7538 178.3671 17 H 4.1792 7.8504 116.3575 59.4337 30.1896 176.6374 18 I 3.9129 8.0324 121.5821 64.6203 37.0925 178.2449 19 W 4.2204 8.6924 128.7196 60.3387 30.2866 177.6420 20 D 4.4883 8.0767 118.4003 57.2720 40.2425 177.9361 21 D 4.4857 7.8366 118.5121 56.7663 41.1337 179.0505 22 V 3.5204 7.2891 111.6339 63.1645 33.0910 177.1773 23 W 4.1933 6.9270 129.2677 55.8479 29.8323 175.3416 24 S 4.8021 7.5433 125.2792 58.2389 60.7645 175.7421 25 S 3.8510 7.5056 111.4326 54.8293 65.2895 172.9847 26 S 4.5835 8.3871 115.1862 59.0230 63.5268 173.8217 27 F 4.6950 7.7865 117.6655 56.6506 41.8150 176.1421 28 T 4.1316 8.3326 112.2898 63.1076 69.0530 176.5807 29 D 4.4788 8.1338 122.3734 57.7108 40.8631 178.6367 30 R 3.7675 7.7899 118.3672 59.4150 30.0468 178.5508 31 R 3.8498 7.5936 115.4039 58.7874 29.6557 178.3683 32 V 3.5647 9.0747 119.1013 66.1280 31.4354 178.0095 33 A 3.9947 8.1278 120.1898 55.0054 18.1204 179.7776 34 I 3.5342 7.7229 118.4497 64.5656 37.2035 178.9011 35 V 3.4644 7.5469 119.2690 65.7041 31.2472 177.9050 36 R 3.9836 8.2230 118.4783 59.5638 29.9314 178.4246 37 A 3.9190 7.8740 120.4911 54.8711 18.2259 179.7122 38 V 3.0924 7.5546 116.9299 66.1245 31.3765 178.4012 39 F 3.5327 7.9270 117.4077 60.2157 38.6772 177.2814 40 D 4.4583 8.3197 118.9262 57.5020 40.6572 178.5260 41 D 4.3172 7.9912 118.2053 57.2322 41.2352 177.8062 42 L 4.0141 7.7276 120.9768 58.5599 41.9001 179.1372 43 F 4.7373 8.5346 117.9713 60.4345 38.5559 177.6392 44 K 4.0171 8.2027 118.8777 59.1794 32.0693 177.8288 45 H 4.6014 8.2544 114.7108 56.0534 30.9113 175.1898 46 Y 4.8681 8.4993 118.6576 54.3963 38.8318 173.6716 47 P 4.6872 0.0000 0.0000 65.5304 31.7743 178.5867 48 T 4.1060 8.1635 108.6523 64.0252 68.7604 176.2171 49 S 3.8757 8.3815 117.4468 60.7263 62.7902 176.2089 50 K 3.5730 8.2515 123.5593 59.0355 31.5936 178.2707 51 A 4.0989 7.4283 118.5645 54.1411 18.3436 178.6802 52 L 4.0681 7.6143 115.9681 55.6749 42.1062 177.4138 53 F 4.8990 7.5501 117.8636 57.1971 39.8123 177.4820 54 E 4.0164 8.2184 123.8015 59.3014 29.5736 179.3767 55 R 3.9179 8.0316 118.0281 58.9276 30.3778 177.1555 56 V 4.1798 7.8718 109.2412 60.5192 32.2531 175.6935 57 K 4.6424 8.2911 117.8618 56.4406 29.3168 177.4200 58 I 2.3943 7.5217 113.0730 63.5643 37.8937 177.4115 59 D 4.3404 7.9836 119.9785 55.3146 39.5551 175.0146 60 E 4.9507 7.8527 120.0975 53.2576 29.3996 174.4188 61 P 4.1921 0.0000 0.0000 64.1835 31.8697 177.7818 62 E 4.7142 7.9273 117.7610 56.2411 29.7883 177.0146 63 S 4.1995 8.1152 115.9907 59.8667 63.6888 174.6853 64 G 4.4415 8.6459 115.0816 45.9815 0.0000 175.3480 65 E 3.9972 8.1985 118.8106 59.0144 29.4725 178.7767 66 F 4.5178 8.1610 122.5419 60.1022 39.5209 177.5042 67 K 3.9157 8.1341 118.0711 59.3876 31.8439 179.3255 68 S 4.1715 8.4631 115.0970 61.5065 62.9140 175.9996 69 H 4.0793 8.1015 121.9111 59.1210 29.5085 177.2231 70 L 3.8271 7.7170 120.8258 57.7149 41.2857 179.7526 71 V 3.6692 7.8188 118.2329 65.9727 31.4029 178.2196 72 R 3.8995 8.2949 118.1651 59.2291 29.8435 179.2283 73 V 3.6931 7.9025 117.6913 65.9704 31.5495 177.5476 74 A 4.4500 8.4191 120.7584 55.9799 18.2561 179.5476 75 N 4.4080 9.5978 115.3292 56.0907 38.5806 178.0247 76 G 3.6738 8.5650 108.0004 47.7349 0.0000 175.5895 77 L 3.9049 8.2788 123.0731 57.5553 42.1127 178.7785 78 K 3.4011 8.1392 119.9547 59.1635 31.6748 178.3913 79 L 3.7663 7.7930 119.7694 58.0618 42.3240 178.5900 80 L 3.9966 7.7257 118.7118 57.8633 41.5683 179.5445 81 I 3.3865 7.3464 119.6423 64.3231 36.7438 177.6520 82 N 4.5219 7.7121 113.0204 53.8344 38.5652 175.5112 83 L 4.5607 7.5312 120.1760 54.3055 43.1207 178.0997 84 L 4.0759 7.5702 118.9621 56.7197 41.5537 177.1819 85 D 4.8232 7.8827 115.6950 53.9494 42.4740 175.6204 86 D 4.9369 8.2913 117.9005 52.6412 41.1956 176.2752 87 T 3.9828 7.7951 113.0040 64.7288 69.1137 176.6483 88 L 3.9581 7.7845 121.3503 57.4191 41.7772 179.2615 89 V 3.5155 7.6740 117.7292 65.8125 31.4536 177.2833 90 L 3.8418 8.2203 120.4896 58.3843 41.6133 178.5903 91 Q 3.8757 8.0415 117.9920 59.3015 29.2691 178.1377 92 S 4.1757 7.9657 113.8088 61.8417 62.4755 175.4674 93 H 4.1229 8.6220 121.2502 59.2774 29.4523 176.7508 94 L 3.8812 8.2442 122.5008 58.0553 41.7328 179.3214 95 G 3.5060 7.9135 105.2686 47.7359 0.0000 175.1030 96 H 4.0286 8.1290 120.1670 59.1441 29.4347 176.9310 97 L 3.9786 8.0006 121.8361 57.8647 41.8174 178.6548 98 A 4.0558 7.9961 120.8405 55.4653 18.4402 179.3542 99 D 4.2939 8.3102 117.5378 57.6497 40.6204 179.0642 100 Q 4.0054 7.8532 117.6899 59.1565 29.0245 178.1323 101 H 4.5784 7.9572 116.0371 58.1221 28.8207 177.7837 102 I 3.8701 7.8361 121.1633 64.0279 36.9957 177.5556 103 Q 4.4936 7.8137 116.0267 55.8908 29.1943 176.3718 104 R 4.3648 7.5100 120.5132 53.8434 29.6600 175.3721 105 K 3.9970 8.2382 124.2076 57.6271 32.8104 176.5384 106 G 4.1396 8.9857 113.3108 45.6573 0.0000 174.0528 107 V 4.0888 7.3930 120.4307 62.7321 32.0400 175.6965 108 T 4.7448 8.4233 116.6108 59.2782 72.8839 175.1124 109 K 4.0488 8.4088 120.2742 59.5635 32.0118 178.9739 110 E 3.9130 8.1369 119.0838 59.7819 29.4377 178.4920 111 Y 4.1290 7.4656 116.2449 61.0457 37.8495 178.4137 112 F 4.0690 8.2321 118.5148 60.0735 38.9713 177.7698 113 R 4.0487 8.5107 119.3318 59.3639 29.8557 178.7557 114 G 3.5232 7.8576 105.5735 48.6567 0.0000 175.5105 115 I 3.7087 8.0209 121.3686 63.4038 37.9303 178.2359 116 G 3.7843 8.2189 106.4637 48.0860 0.0000 175.5875 117 E 4.1081 8.4343 121.3482 58.8048 29.3264 179.4461 118 A 4.1568 8.1588 121.0536 55.1912 18.3755 179.6890 119 F 3.7436 8.3575 116.3093 60.6137 38.7484 177.8260 120 A 4.1485 8.0159 119.2846 54.8658 18.1792 179.1941 121 R 4.0712 7.5476 116.2427 58.9404 30.5217 178.5543 122 V 3.6076 7.8973 118.2790 65.7685 31.5711 177.6961 123 L 3.5049 7.7916 119.3677 57.2845 41.1983 177.8916 124 P 4.3119 0.0000 0.0000 65.4173 31.1087 177.5066 125 Q 4.1618 7.9373 116.9985 57.4138 28.9779 177.3601 126 V 4.0230 7.5355 112.4405 60.8627 32.7362 176.0032 127 L 4.6684 6.8292 116.5729 53.9325 43.2870 175.9533 128 S 4.6090 8.4910 116.7627 57.8568 64.5398 172.9548 129 C 4.1077 8.4186 115.5679 60.8024 25.4591 173.3815 130 F 4.7289 8.2495 120.6453 57.3196 40.0207 175.9131 131 N 4.4831 8.1427 127.2822 52.3716 37.2260 175.2167 132 V 3.2533 7.5461 126.3192 63.9925 31.8151 178.0246 133 D 4.2890 7.9632 118.8808 57.2418 40.6535 178.3435 134 A 3.9611 7.8636 120.6587 54.7898 18.3988 179.1106 135 W 4.1060 8.1483 126.8213 60.8851 30.7535 177.9450 136 N 4.4579 8.7530 116.6805 56.2783 38.0699 177.4908 137 R 3.8373 7.9288 119.4173 59.6620 30.1726 178.5629 138 C 4.1729 7.7730 116.0327 59.8109 40.3673 175.9348 139 F 3.4728 8.0990 122.6636 61.3362 38.8423 176.9124 140 H 4.1144 8.7814 116.4354 58.7442 28.0453 177.7041 141 R 3.8107 7.7579 120.0241 59.2484 29.8809 178.5883 142 L 3.7528 7.7177 118.7414 57.8503 41.5657 179.7384 143 V 3.1965 7.5019 118.0505 65.5612 31.1121 177.6833 144 A 3.8515 7.9752 120.3145 55.2213 18.4015 179.3528 145 R 3.8640 7.4365 115.7609 59.5093 29.9553 178.7048 146 I 3.4993 7.2905 118.3163 63.5455 37.1282 177.3532 147 A 4.3159 7.5048 119.9736 51.4537 18.8867 178.4028 148 K 3.6836 7.4033 123.2182 60.4335 32.1818 177.6145 149 D 4.9217 7.7583 114.3052 54.0185 41.3925 177.0312 150 L 4.1678 7.6878 122.2018 56.7966 41.9421 175.3965 151 P 4.3960 0.0000 0.0000 63.2187 30.8728 175.7740 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 D 8.36 4.57 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 6 C 7.84 4.15 0.00 3.05 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 7 C 8.21 4.42 0.00 2.83 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 8 S 8.65 4.48 0.00 4.21 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 9 Y 8.44 3.86 0.00 3.14 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 10 E 8.31 4.05 0.00 2.13 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 2.45 2.56 0.00 11 D 8.27 4.35 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 12 R 7.81 3.78 0.00 1.69 1.73 0.00 3.19 0.00 0.00 2.97 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.66 0.00 13 R 7.78 3.84 0.00 1.72 2.04 0.00 3.16 0.00 0.00 3.24 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 14 E 8.56 4.03 0.00 2.28 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 2.35 2.51 0.00 15 I 8.14 4.03 2.02 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.82 1.00 0.00 0.00 16 R 7.84 4.02 0.00 2.10 2.04 0.00 3.14 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.86 0.00 17 H 7.85 4.18 0.00 3.13 3.43 0.00 5.98 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 18 I 8.03 3.91 2.39 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.23 1.36 0.00 0.00 19 W 8.69 4.22 0.00 3.77 3.33 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 20 D 8.08 4.49 0.00 2.92 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 D 7.84 4.49 0.00 2.73 2.63 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 22 V 7.29 3.52 1.61 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 0.40 0.00 0.00 -0.37 0.00 0.00 23 W 6.93 4.19 0.00 2.55 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 24 S 7.54 4.80 0.00 3.78 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 25 S 7.51 3.85 0.00 4.28 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 26 S 8.39 4.58 0.00 3.87 3.97 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 27 F 7.79 4.69 0.00 2.91 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 28 T 8.33 4.13 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 1.17 0.00 0.00 29 D 8.13 4.48 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 30 R 7.79 3.77 0.00 1.74 1.71 0.00 3.04 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 31 R 7.59 3.85 0.00 1.78 1.54 0.00 2.93 0.00 0.00 2.53 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 32 V 9.07 3.56 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 1.00 0.00 0.00 0.96 0.00 0.00 33 A 8.13 3.99 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 34 I 7.72 3.53 1.81 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 1.27 0.52 0.82 0.00 0.00 35 V 7.55 3.46 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 1.24 0.00 0.00 1.16 0.00 0.00 36 R 8.22 3.98 0.00 2.10 2.09 0.00 3.19 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.83 0.00 37 A 7.87 3.92 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 38 V 7.55 3.09 1.55 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 0.05 0.00 0.00 -0.08 0.00 0.00 39 F 7.93 3.53 0.00 2.92 2.33 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 40 D 8.32 4.46 0.00 2.82 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 D 7.99 4.32 0.00 2.73 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 42 L 7.73 4.01 0.00 1.51 1.40 0.89 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 43 F 8.53 4.74 0.00 3.13 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 44 K 8.20 4.02 0.00 1.90 2.02 0.00 1.77 0.00 0.00 1.56 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.45 7.81 45 H 8.25 4.60 0.00 3.34 3.13 0.00 5.85 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 Y 8.50 4.87 0.00 3.28 3.23 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 47 P 0.00 4.69 0.00 2.31 2.38 0.00 3.92 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.93 0.00 48 T 8.16 4.11 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 1.32 0.00 0.00 49 S 8.38 3.88 0.00 3.57 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.25 3.57 0.00 1.61 1.65 0.00 1.25 0.00 0.00 1.38 0.00 0.00 2.74 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.87 0.21 7.81 51 A 7.43 4.10 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 52 L 7.61 4.07 0.00 0.94 1.20 0.97 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 53 F 7.55 4.90 0.00 3.06 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 E 8.22 4.02 0.00 2.01 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 2.43 0.00 55 R 8.03 3.92 0.00 1.76 1.97 0.00 3.41 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 56 V 7.87 4.18 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 0.84 0.00 0.00 1.13 0.00 0.00 57 K 8.29 4.64 0.00 2.07 1.87 0.00 1.73 0.00 0.00 1.98 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.37 7.81 58 I 7.52 2.39 1.47 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 1.44 0.38 0.52 0.00 0.00 59 D 7.98 4.34 0.00 2.77 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 E 7.85 4.95 0.00 1.98 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.15 0.00 61 P 0.00 4.19 0.00 2.16 1.92 0.00 3.64 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.89 0.00 62 E 7.93 4.71 0.00 1.97 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 2.23 2.21 0.00 63 S 8.12 4.20 0.00 4.03 4.13 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 64 G 8.65 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 E 8.20 4.00 0.00 2.25 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.37 0.00 66 F 8.16 4.52 0.00 3.47 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 67 K 8.13 3.92 0.00 1.87 1.85 0.00 1.75 0.00 0.00 2.08 0.00 0.00 3.25 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.59 1.60 7.81 68 S 8.46 4.17 0.00 4.04 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 0.00 69 H 8.10 4.08 0.00 3.28 3.33 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 70 L 7.72 3.83 0.00 1.77 1.63 0.84 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 71 V 7.82 3.67 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 1.14 0.00 0.00 1.00 0.00 0.00 72 R 8.29 3.90 0.00 2.08 2.03 0.00 3.24 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.86 0.00 73 V 7.90 3.69 2.44 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 1.41 0.00 0.00 1.07 0.00 0.00 74 A 8.42 4.45 1.81 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 75 N 9.60 4.41 0.00 3.10 3.00 0.00 0.00 7.01 6.21 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 76 G 8.56 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 77 L 8.28 3.90 0.00 1.94 2.08 0.80 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 78 K 8.14 3.40 0.00 0.79 1.24 0.00 1.32 0.00 0.00 1.00 0.00 0.00 2.37 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.35 1.05 7.81 79 L 7.79 3.77 0.00 1.78 1.75 0.60 0.75 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 80 L 7.73 4.00 0.00 1.65 1.47 0.76 0.68 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 81 I 7.35 3.39 1.02 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 -0.36 0.59 0.00 0.00 82 N 7.71 4.52 0.00 2.67 2.77 0.00 0.00 6.94 7.40 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 83 L 7.53 4.56 0.00 1.91 1.56 0.84 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 84 L 7.57 4.08 0.00 1.60 1.58 0.72 0.77 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 85 D 7.88 4.82 0.00 2.54 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 86 D 8.29 4.94 0.00 2.67 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 T 7.80 3.98 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 88 L 7.78 3.96 0.00 1.69 1.73 0.91 0.84 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 89 V 7.67 3.52 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 0.99 0.00 0.00 0.91 0.00 0.00 90 L 8.22 3.84 0.00 1.85 1.70 0.82 0.74 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 91 Q 8.04 3.88 0.00 2.16 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.72 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 92 S 7.97 4.18 0.00 3.93 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 93 H 8.62 4.12 0.00 3.20 3.27 0.00 5.84 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 94 L 8.24 3.88 0.00 2.02 1.55 0.77 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 95 G 7.91 3.51 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 0.00 0.00 0.00 96 H 8.13 4.03 0.00 3.26 3.47 0.00 5.88 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 L 8.00 3.98 0.00 1.74 1.70 1.08 0.99 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 98 A 8.00 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 99 D 8.31 4.29 0.00 2.77 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 0.00 100 Q 7.85 4.01 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.95 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 101 H 7.96 4.58 0.00 3.47 3.56 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 0.00 102 I 7.84 3.87 1.87 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 1.52 0.59 0.91 0.00 0.00 103 Q 7.81 4.49 0.00 2.04 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.92 0.00 0.00 0.00 0.00 0.00 2.39 2.51 0.00 104 R 7.51 4.36 0.00 2.09 1.88 0.00 3.25 0.00 0.00 3.08 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.66 0.00 105 K 8.24 4.00 0.00 1.72 1.72 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.46 7.81 106 G 8.99 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 V 7.39 4.09 2.40 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 1.17 0.00 0.00 1.04 0.00 0.00 108 T 8.42 4.74 4.09 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 1.09 0.00 0.00 109 K 8.41 4.05 0.00 1.82 1.91 0.00 1.67 0.00 0.00 1.73 0.00 0.00 2.90 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.61 1.48 7.81 110 E 8.14 3.91 0.00 1.95 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 0.00 2.47 2.50 0.00 111 Y 7.47 4.13 0.00 3.14 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 0.00 112 F 8.23 4.07 0.00 3.26 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 0.00 113 R 8.51 4.05 0.00 2.00 2.12 0.00 3.37 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 114 G 7.86 3.52 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 0.00 0.00 0.00 115 I 8.02 3.71 1.75 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.47 1.22 0.00 0.00 116 G 8.22 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.43 4.11 0.00 2.28 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 2.44 2.61 0.00 118 A 8.16 4.16 1.25 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 0.00 0.00 0.00 0.00 0.00 0.00 119 F 8.36 3.74 0.00 3.14 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 0.00 120 A 8.02 4.15 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 0.00 121 R 7.55 4.07 0.00 2.05 1.90 0.00 3.27 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 122 V 7.90 3.61 1.87 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 0.85 0.00 0.00 0.79 0.00 0.00 123 L 7.79 3.50 0.00 0.97 0.13 -0.53 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 124 P 0.00 4.31 0.00 2.24 2.36 0.00 3.47 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.29 0.00 125 Q 7.94 4.16 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.86 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 126 V 7.54 4.02 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.69 0.00 0.00 127 L 6.83 4.67 0.00 1.61 1.43 0.90 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 128 S 8.49 4.61 0.00 3.89 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 C 8.42 4.11 0.00 3.16 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 0.00 130 F 8.25 4.73 0.00 2.96 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 0.00 131 N 8.14 4.48 0.00 2.76 2.56 0.00 0.00 6.95 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 0.00 132 V 7.55 3.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 1.17 0.00 0.00 133 D 7.96 4.29 0.00 2.75 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 0.00 134 A 7.86 3.96 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 0.00 135 W 8.15 4.11 0.00 3.47 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 0.00 136 N 8.75 4.46 0.00 2.97 2.78 0.00 0.00 7.09 7.32 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 0.00 137 R 7.93 3.84 0.00 2.07 1.92 0.00 3.10 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.64 0.00 138 C 7.77 4.17 0.00 2.64 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 F 8.10 3.47 0.00 2.10 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 H 8.78 4.11 0.00 3.40 3.34 0.00 5.87 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 R 7.76 3.81 0.00 1.93 1.93 0.00 3.15 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 1.55 1.74 0.00 142 L 7.72 3.75 0.00 1.34 1.31 0.51 0.47 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 0.00 143 V 7.50 3.20 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 1.06 0.00 0.00 0.57 0.00 0.00 144 A 7.98 3.85 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 0.00 145 R 7.44 3.86 0.00 1.85 1.92 0.00 3.05 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 146 I 7.29 3.50 1.21 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.54 0.46 0.00 0.00 147 A 7.50 4.32 0.99 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 0.00 148 K 7.40 3.68 0.00 1.84 1.79 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.37 7.81 149 D 7.76 4.92 0.00 2.64 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 0.00 150 L 7.69 4.17 0.00 1.75 1.77 0.99 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 151 P 0.00 4.40 0.00 2.16 2.05 0.00 3.78 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00