NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4626 8.3044 118.1940 55.1710 32.5684 174.3198 1 V 4.2672 7.8915 118.7538 60.7987 34.5894 173.3832 2 L 4.4070 8.2552 127.0595 53.7777 43.8491 176.7722 3 S 4.5615 8.7420 117.4322 57.6069 65.4381 175.1269 4 E 4.2968 8.8120 122.5726 59.4668 29.2527 179.0473 5 G 3.6367 8.1050 105.3736 47.8670 0.0000 175.4110 6 E 3.9380 8.0022 120.5680 58.9124 29.4037 179.4229 7 W 4.3557 8.1611 119.0196 59.9214 29.1054 178.5467 8 Q 4.1650 8.6167 118.3286 59.0261 27.9956 178.9284 9 L 4.0969 7.8902 119.8299 57.5932 41.6152 179.7524 10 V 3.7687 7.9123 118.2495 66.2369 31.6134 178.2323 11 L 4.3057 8.6047 118.8326 57.5617 41.1461 179.0566 12 H 4.2284 8.4756 119.0983 59.2541 29.9621 177.6734 13 V 3.7220 7.8056 121.0725 64.3037 31.3875 178.1572 14 W 3.9541 8.4605 128.9782 60.0927 30.2627 177.7700 15 A 3.9962 7.9060 120.2565 54.8942 18.0307 179.4796 16 K 3.9466 7.2947 117.2485 59.3934 32.1464 179.6105 17 V 2.8792 7.0448 118.3028 65.7618 31.0552 177.6373 18 E 3.8839 7.5422 115.9264 58.0702 29.2885 178.4771 19 A 4.2057 7.5512 120.5219 53.6970 20.1020 177.6785 20 D 4.7005 7.8874 116.7333 52.0740 42.8671 175.7208 21 V 3.4704 7.8904 124.1241 64.4239 31.8823 178.2118 22 A 4.0575 8.0248 121.3053 54.7775 18.2583 179.6857 23 G 3.8096 8.2066 105.4833 47.8365 0.0000 175.7138 24 H 4.1718 8.2655 118.8413 58.3032 28.6660 178.1369 25 G 3.4996 8.2239 107.7221 47.7950 0.0000 175.7991 26 Q 4.0521 8.0153 120.4947 58.8625 28.7878 178.5522 27 D 4.3126 7.9592 119.8391 57.4369 40.7566 179.0562 28 I 3.6369 7.8235 120.2747 64.4947 37.0694 178.1484 29 Y 3.7679 7.7495 117.4878 61.0128 37.6796 178.6100 30 I 3.7576 7.8932 120.8225 64.3372 37.2097 178.4869 31 R 3.8112 7.9557 119.4957 59.1635 29.8275 178.2872 32 L 3.8961 7.8846 120.1759 58.4072 41.7941 179.1196 33 F 4.5636 8.1959 117.9445 60.3608 38.5360 177.8847 34 K 4.0671 7.9976 117.7049 59.2759 32.0229 179.1741 35 S 4.2946 7.9307 114.6133 60.1760 64.3854 174.4494 36 H 4.7674 8.2179 118.3738 51.8248 29.2695 171.6971 37 P 4.5200 0.0000 0.0000 64.7242 31.3505 177.5587 38 E 4.3881 8.5111 117.3999 59.0265 29.5060 179.1849 39 T 3.7857 8.0720 110.7278 64.3880 68.7652 176.2975 40 L 3.8042 8.0806 123.2885 57.8720 41.5686 178.6312 41 E 4.1394 8.1465 118.4093 58.8099 29.1140 178.9496 42 K 4.3998 8.0907 117.1285 57.1982 32.7305 177.5191 43 F 4.5867 8.2078 119.0274 55.6398 38.9276 175.7643 44 D 4.3777 8.5347 124.4444 57.2846 40.9214 178.7533 45 R 3.9073 7.6517 116.1359 57.6777 30.4579 176.8236 46 F 4.9967 7.5074 114.1700 56.5789 40.7307 176.4859 47 K 4.0688 8.2799 120.3425 58.7751 32.2686 177.4209 48 H 4.5054 8.0244 114.3126 56.7624 29.2939 175.6898 49 L 4.0345 7.4513 121.2747 55.1606 41.6809 176.9532 50 K 4.3214 9.5863 123.2990 57.2618 33.5154 176.8767 51 T 4.7396 7.2875 107.6011 58.8531 73.2429 174.2301 52 E 3.9281 8.6475 120.8213 59.1764 29.6552 178.5225 53 A 3.9622 7.9274 120.4789 55.3264 18.3051 179.3418 54 E 3.9572 7.8090 115.3009 59.6399 29.6220 179.2426 55 M 4.1370 7.9178 118.8568 58.4115 31.8419 179.0203 56 K 3.9818 8.1516 117.3027 58.9470 32.2715 178.5898 57 A 4.4497 7.5266 118.7173 52.1222 19.1709 177.1893 58 S 4.1898 7.4039 113.4755 57.7049 62.5616 174.3594 59 E 4.0015 8.8647 129.6530 59.4174 29.4890 178.2263 60 D 4.5023 8.1401 118.6611 57.2655 40.9775 178.3037 61 L 3.0615 7.8723 120.9807 57.4799 42.0706 178.9127 62 K 3.9312 7.8985 119.3962 59.5425 32.3059 178.9834 63 K 4.0619 8.2195 118.7658 59.4490 31.9497 179.1605 64 Q 4.2648 8.4773 120.1160 59.1961 28.9553 178.4750 65 G 3.6686 8.5562 106.9403 47.8014 0.0000 175.8407 66 V 3.6172 7.7976 120.0853 65.8440 31.5526 178.3745 67 R 3.9876 8.0078 117.4792 59.1517 29.8605 179.2309 68 V 3.6319 8.0049 117.9360 66.2280 31.5684 178.2330 69 L 4.1898 8.2067 118.7802 57.9527 41.3722 179.7512 70 T 3.9841 8.2403 115.8501 66.4921 68.4718 176.6405 71 A 3.9974 8.1019 122.7758 55.0918 18.3493 179.4805 72 L 3.7443 8.2182 119.1702 58.0498 42.1257 179.3655 73 G 3.2961 8.5468 105.9173 47.6502 0.0000 175.4998 74 A 3.9991 7.7770 122.2079 54.8389 18.6482 179.6113 75 I 3.7708 7.4692 117.7840 64.5735 37.2559 178.6154 76 L 3.9608 7.7758 119.9980 57.7099 41.1880 179.5500 77 K 4.0117 7.7392 116.5869 58.1934 32.2722 178.6296 78 K 3.9731 7.8309 118.3935 55.8755 32.6641 176.5177 79 K 2.0000 8.1611 118.3245 56.3923 29.8367 175.5667 80 G 3.9635 7.9358 106.0114 45.6956 0.0000 173.8778 81 H 4.5811 7.3384 119.1104 55.2096 27.5892 174.8429 82 H 5.3666 7.2034 110.5986 54.5975 29.4052 176.5635 83 E 3.9390 8.6277 122.2829 60.2714 29.0130 178.5519 84 A 4.0340 7.9221 118.4887 55.3407 17.6471 179.0257 85 E 4.0988 8.1588 116.5791 59.4571 29.5715 179.3839 86 L 4.2820 8.1506 119.1427 57.2572 41.6286 179.2661 87 K 3.9123 7.8117 118.6926 59.2426 32.1103 177.4569 88 P 4.3059 0.0000 0.0000 65.7143 31.2746 178.1582 89 L 4.0368 7.5440 117.1481 57.9248 42.0703 178.8367 90 A 4.2079 8.5242 121.2396 55.2166 18.3483 179.3895 91 Q 3.9236 8.3200 118.3965 59.3487 29.0752 178.6872 92 S 4.0341 8.2083 115.3344 61.8351 63.1743 176.1158 93 H 4.1852 8.6396 119.3503 57.6601 28.2315 177.4258 94 A 2.9644 7.6826 121.9713 54.2125 18.8786 178.9759 95 T 3.9093 7.4968 112.5457 65.0113 69.0825 176.1944 96 K 4.0850 7.4643 119.8743 58.7152 32.8817 177.1408 97 H 4.3336 7.9158 114.1998 55.9756 29.5475 175.4508 98 K 3.2079 7.4836 117.1659 57.0242 28.5748 175.4079 99 I 4.3545 8.1881 118.9480 58.6697 38.3854 174.9925 100 P 4.5654 0.0000 0.0000 62.3318 32.0689 177.4484 101 I 3.6565 8.4537 121.2526 64.5006 36.8700 178.5631 102 K 3.8961 7.8403 121.2803 59.1660 31.8934 178.2062 103 Y 4.3118 7.8717 116.6634 60.7624 37.8726 178.0998 104 L 4.2585 7.9812 120.2357 57.5147 41.2153 179.2769 105 E 4.0381 7.8968 118.4454 59.3015 29.4944 179.0338 106 F 4.5734 7.8667 117.9259 60.8236 38.9440 177.6263 107 I 3.8773 8.1542 118.1438 63.9442 37.7568 178.1269 108 S 4.1833 8.0958 116.2568 61.4626 62.6063 176.1594 109 E 4.0288 8.5139 121.8885 59.2366 29.4141 178.7629 110 A 4.0186 8.0608 120.9125 55.0578 18.4196 179.6781 111 I 3.6548 8.0266 118.4593 64.6948 37.2479 178.7151 112 I 3.8105 7.8892 120.5999 64.5722 36.9101 177.9675 113 H 4.1338 8.4743 119.1538 59.3480 29.6436 177.5539 114 V 3.5411 7.9217 119.9920 65.9758 31.2763 178.0192 115 L 3.7707 7.8378 118.7961 57.8149 41.0408 178.9593 116 H 4.3508 7.8860 117.5106 59.2468 29.8728 177.0635 117 S 4.1287 7.7742 114.1645 61.2693 62.3721 175.8246 118 R 4.0974 7.9513 119.2973 57.3710 31.2519 176.3461 119 H 5.0336 8.2417 115.7813 53.7288 29.5742 172.9718 120 P 4.3296 0.0000 0.0000 65.9416 31.5307 179.2430 121 G 3.6633 8.1519 106.4504 47.4925 0.0000 173.6786 122 N 5.0436 8.1566 115.3636 52.9222 39.5602 174.8607 123 F 4.9172 7.8653 118.9449 56.3624 39.5305 174.1627 124 G 3.9087 7.6535 109.1737 43.7373 0.0000 171.9578 125 A 3.8862 8.4427 120.6963 55.5419 18.2301 179.6743 126 D 4.1961 7.9684 116.4445 57.3954 40.8992 178.7585 127 A 3.9270 7.7268 120.8525 55.0668 18.3853 179.3202 128 Q 3.0685 7.8124 118.4867 58.8042 29.0305 178.6283 129 G 3.5097 8.0797 106.7003 47.6452 0.0000 175.5923 130 A 3.8652 7.8947 123.1998 55.0392 18.3633 179.4378 131 M 4.0062 8.2004 116.8966 58.7112 32.2619 177.9154 132 N 4.3059 8.5482 117.7151 56.5841 39.1502 176.7424 133 K 4.0101 8.1098 120.7918 59.4188 32.2581 178.6716 134 A 3.8276 7.9593 121.0807 55.1305 18.2028 179.6735 135 L 4.1280 8.1856 117.5900 57.8134 41.5825 179.5661 136 E 3.9749 8.5895 119.1911 59.1507 29.3095 179.0880 137 L 3.9436 8.0740 120.4640 57.9716 42.1648 178.6418 138 F 4.1543 8.3161 120.5841 61.6551 39.3424 177.3899 139 R 3.4597 8.2738 117.7346 58.7499 29.8053 179.0651 140 K 3.8337 8.2501 119.8122 59.6787 32.2547 178.7451 141 D 4.3341 8.1880 119.2787 57.2911 40.6200 178.8601 142 I 3.4387 7.5406 120.2739 64.0742 37.0365 178.3118 143 A 3.6561 7.8172 121.4746 54.9009 18.2713 179.5738 144 A 3.9411 7.8407 119.2627 55.2775 18.4257 180.0862 145 K 4.0259 7.9674 117.0577 59.5829 32.0149 179.0812 146 Y 4.4053 8.4237 117.6040 61.1667 37.8994 178.7424 147 K 3.9443 8.1083 120.1266 59.7269 32.1114 178.6795 148 E 4.0398 7.9377 117.1784 59.1907 29.4671 178.6566 149 L 4.3384 7.9517 116.8759 55.2981 41.9473 177.8002 150 G 3.9345 7.9956 107.3610 45.1628 0.0000 172.2249 151 Y 4.7806 7.8086 120.7256 55.1810 40.3059 176.0033 152 Q 3.8156 8.4382 125.4956 56.7599 29.4517 176.2831 153 G 3.7929 5.7617 112.0283 45.6931 0.0000 173.1221 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 4.46 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.53 0.00 1 V 7.89 4.27 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 0.89 0.00 0.00 0.95 0.00 0.00 2 L 8.26 4.41 0.00 0.91 0.74 0.58 -0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.74 4.56 0.00 4.04 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 4 E 8.81 4.30 0.00 2.19 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 2.43 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 8.00 3.94 0.00 1.92 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 2.22 2.25 0.00 7 W 8.16 4.36 0.00 3.55 3.17 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 8 Q 8.62 4.17 0.00 2.30 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.68 2.61 0.00 9 L 7.89 4.10 0.00 1.83 1.74 0.88 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.91 3.77 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.94 0.00 0.00 11 L 8.60 4.31 0.00 1.83 1.81 0.94 0.87 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 12 H 8.48 4.23 0.00 3.40 3.52 0.00 5.58 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.81 3.72 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 1.03 0.00 0.00 0.88 0.00 0.00 14 W 8.46 3.95 0.00 3.66 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 15 A 7.91 4.00 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 7.29 3.95 0.00 1.48 1.67 0.00 1.64 0.00 0.00 1.47 0.00 0.00 2.70 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.46 7.81 17 V 7.04 2.88 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 0.42 0.00 0.00 18 E 7.54 3.88 0.00 2.00 1.90 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 2.19 2.10 0.00 19 A 7.55 4.21 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 4.70 0.00 2.70 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 3.47 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 0.75 0.00 0.00 0.89 0.00 0.00 22 A 8.02 4.06 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 23 G 8.21 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 H 8.27 4.17 0.00 3.10 3.22 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.22 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 26 Q 8.02 4.05 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.74 0.00 0.00 0.00 0.00 0.00 2.37 2.57 0.00 27 D 7.96 4.31 0.00 2.76 2.65 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 0.00 0.00 0.00 0.00 28 I 7.82 3.64 1.83 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 1.45 0.61 0.71 0.00 0.00 29 Y 7.75 3.77 0.00 3.05 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.89 3.76 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.01 0.91 0.00 0.00 31 R 7.96 3.81 0.00 1.93 2.09 0.00 2.94 0.00 0.00 2.97 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 32 L 7.88 3.90 0.00 1.73 1.43 1.05 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.20 4.56 0.00 3.03 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 34 K 8.00 4.07 0.00 1.77 1.84 0.00 1.69 0.00 0.00 1.81 0.00 0.00 3.12 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.69 7.81 35 S 7.93 4.29 0.00 3.73 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 H 8.22 4.77 0.00 3.00 2.76 0.00 5.64 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 37 P 0.00 4.52 0.00 2.16 2.13 0.00 3.84 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 38 E 8.51 4.39 0.00 2.31 2.31 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 2.28 2.40 0.00 39 T 8.07 3.79 4.45 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 0.84 0.00 0.00 40 L 8.08 3.80 0.00 1.32 1.72 -0.16 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 41 E 8.15 4.14 0.00 2.24 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 2.36 2.40 0.00 42 K 8.09 4.40 0.00 1.96 1.73 0.00 1.89 0.00 0.00 1.78 0.00 0.00 3.20 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.77 1.98 7.81 43 F 8.21 4.59 0.00 3.32 3.17 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 44 D 8.53 4.38 0.00 2.61 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 45 R 7.65 3.91 0.00 0.79 1.12 0.00 2.95 0.00 0.00 3.11 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.44 0.00 46 F 7.51 5.00 0.00 2.84 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 47 K 8.28 4.07 0.00 1.86 2.22 0.00 1.61 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.70 1.40 7.81 48 H 8.02 4.51 0.00 3.29 3.44 0.00 5.54 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 7.45 4.03 0.00 1.48 1.54 0.77 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.59 4.32 0.00 1.67 1.83 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.51 7.81 51 T 7.29 4.74 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 8.65 3.93 0.00 2.05 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 2.37 2.38 0.00 53 A 7.93 3.96 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 7.81 3.96 0.00 2.06 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 2.33 2.33 0.00 55 M 7.92 4.14 0.00 2.08 2.26 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 2.74 2.53 0.00 56 K 8.15 3.98 0.00 1.84 1.86 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.18 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.61 7.81 57 A 7.53 4.45 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 58 S 7.40 4.19 0.00 3.89 3.80 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 59 E 8.86 4.00 0.00 2.14 1.96 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 2.40 2.49 0.00 60 D 8.14 4.50 0.00 3.10 3.10 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 61 L 7.87 3.06 0.00 1.00 1.49 -0.73 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.90 3.93 0.00 1.98 1.99 0.00 1.69 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.48 7.81 63 K 8.22 4.06 0.00 2.09 1.92 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.69 7.81 64 Q 8.48 4.26 0.00 2.56 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.79 2.85 0.00 65 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 66 V 7.80 3.62 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 1.05 0.00 0.00 0.99 0.00 0.00 67 R 8.01 3.99 0.00 2.22 2.06 0.00 3.32 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.93 0.00 68 V 8.00 3.63 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 1.10 0.00 0.00 1.19 0.00 0.00 69 L 8.21 4.19 0.00 1.76 1.82 0.85 1.07 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 70 T 8.24 3.98 4.45 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 1.26 0.00 0.00 71 A 8.10 4.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 L 8.22 3.74 0.00 1.58 1.61 0.25 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.55 3.30 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 0.00 74 A 7.78 4.00 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 7.47 3.77 1.84 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 1.53 0.67 0.89 0.00 0.00 76 L 7.78 3.96 0.00 1.32 1.53 -0.17 1.09 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 77 K 7.74 4.01 0.00 1.77 1.79 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.14 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.44 1.53 7.81 78 K 7.83 3.97 0.00 1.83 1.81 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.65 1.74 7.81 79 K 8.16 2.00 0.00 1.26 0.74 0.00 1.33 0.00 0.00 1.53 0.00 0.00 2.80 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.30 0.94 7.81 80 G 7.94 3.96 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 0.00 0.00 0.00 81 H 7.34 4.58 0.00 3.19 3.22 0.00 5.62 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 82 H 7.20 5.37 0.00 3.30 3.47 0.00 5.66 0.00 0.00 0.00 0.00 6.71 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 3.94 0.00 2.12 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.48 0.00 84 A 7.92 4.03 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 85 E 8.16 4.10 0.00 2.25 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 0.00 2.40 2.47 0.00 86 L 8.15 4.28 0.00 1.98 1.73 1.01 0.66 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 87 K 7.81 3.91 0.00 1.96 1.90 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.70 7.81 88 P 0.00 4.31 0.00 2.30 2.34 0.00 3.86 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.05 0.00 89 L 7.54 4.04 0.00 1.84 1.94 0.98 1.22 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 90 A 8.52 4.21 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Q 8.32 3.92 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 92 S 8.21 4.03 0.00 4.03 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 8.64 4.19 0.00 3.60 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 7.68 2.96 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.50 3.91 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 1.11 0.00 0.00 96 K 7.46 4.08 0.00 1.54 1.65 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.23 1.35 7.81 97 H 7.92 4.33 0.00 3.04 3.16 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 7.48 3.21 0.00 1.79 1.73 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.01 1.24 7.81 99 I 8.19 4.35 2.14 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 1.56 0.98 1.18 0.00 0.00 100 P 0.00 4.57 0.00 1.95 1.97 0.00 3.36 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.99 0.00 101 I 8.45 3.66 1.79 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 1.58 0.69 0.80 0.00 0.00 102 K 7.84 3.90 0.00 1.66 1.63 0.00 1.75 0.00 0.00 1.87 0.00 0.00 3.48 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.64 1.07 7.81 103 Y 7.87 4.31 0.00 3.28 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 0.00 104 L 7.98 4.26 0.00 1.87 1.79 0.71 1.12 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 0.00 105 E 7.90 4.04 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 2.36 2.58 0.00 106 F 7.87 4.57 0.00 3.25 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 0.00 107 I 8.15 3.88 2.02 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 1.08 0.00 0.00 108 S 8.10 4.18 0.00 4.23 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 0.00 109 E 8.51 4.03 0.00 2.19 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 2.38 2.41 0.00 110 A 8.06 4.02 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 I 8.03 3.65 2.09 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.93 1.01 0.00 0.00 112 I 7.89 3.81 2.13 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 1.69 1.03 1.14 0.00 0.00 113 H 8.47 4.13 0.00 3.35 3.49 0.00 5.78 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.92 3.54 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 0.98 0.00 0.00 0.95 0.00 0.00 115 L 7.84 3.77 0.00 1.05 0.24 0.89 0.73 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 0.00 116 H 7.89 4.35 0.00 3.45 3.60 0.00 5.95 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 0.00 117 S 7.77 4.13 0.00 3.79 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 0.00 118 R 7.95 4.10 0.00 1.60 1.58 0.00 3.16 0.00 0.00 2.95 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.50 0.00 119 H 8.24 5.03 0.00 3.19 3.20 0.00 5.63 0.00 0.00 0.00 0.00 6.75 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 4.33 0.00 2.21 2.27 0.00 3.75 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 121 G 8.15 3.66 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 0.00 0.00 0.00 122 N 8.16 5.04 0.00 2.80 2.94 0.00 0.00 6.66 7.11 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 0.00 123 F 7.87 4.92 0.00 2.96 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 0.00 124 G 7.65 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 A 8.44 3.89 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 7.97 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 7.73 3.93 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 7.81 3.07 0.00 1.22 1.89 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 2.24 2.27 0.00 129 G 8.08 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 0.00 130 A 7.89 3.87 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 0.00 131 M 8.20 4.01 0.00 2.39 2.38 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.89 0.00 132 N 8.55 4.31 0.00 2.91 2.93 0.00 0.00 6.85 6.30 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 0.00 133 K 8.11 4.01 0.00 1.92 1.73 0.00 1.57 0.00 0.00 1.56 0.00 0.00 2.84 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.28 1.36 7.81 134 A 7.96 3.83 1.24 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 0.00 0.00 135 L 8.19 4.13 0.00 1.89 1.82 0.99 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.59 3.97 0.00 2.14 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 2.34 2.55 0.00 137 L 8.07 3.94 0.00 1.86 1.95 1.02 0.87 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 0.00 138 F 8.32 4.15 0.00 3.13 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 R 8.27 3.46 0.00 1.95 1.83 0.00 3.16 0.00 0.00 3.30 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.98 0.00 140 K 8.25 3.83 0.00 1.85 1.93 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 1.40 1.44 7.81 141 D 8.19 4.33 0.00 2.68 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 0.00 142 I 7.54 3.44 1.23 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 -0.25 0.11 0.00 0.00 143 A 7.82 3.66 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 0.00 144 A 7.84 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 0.00 145 K 7.97 4.03 0.00 1.98 1.93 0.00 1.88 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.71 1.62 7.81 146 Y 8.42 4.41 0.00 3.06 3.21 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 0.00 147 K 8.11 3.94 0.00 1.88 2.01 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.49 7.81 148 E 7.94 4.04 0.00 2.22 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 2.36 2.53 0.00 149 L 7.95 4.34 0.00 1.81 1.72 0.99 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 150 G 8.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.81 4.78 0.00 2.58 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 8.44 3.82 0.00 2.04 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.97 0.00 0.00 0.00 0.00 0.00 1.99 2.14 0.00 153 G 5.76 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 0.00 0.00 0.00