NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 L 4.2665 8.1844 120.6271 54.1522 42.9284 176.2053 7 S 4.1010 8.9071 118.1904 55.7486 62.8157 171.4887 8 P 4.4514 0.0000 0.0000 63.7990 33.1487 174.5940 9 L 5.0482 7.5963 123.1464 53.4072 44.2736 175.4339 10 S 4.8997 8.9764 120.4217 56.9781 66.9832 172.3657 11 T 4.8846 8.0035 113.8214 61.4662 71.1554 172.0138 12 H 4.8310 8.3439 119.1105 55.3821 33.5004 172.1140 13 V 4.6376 8.8291 126.6483 61.1198 33.7296 174.0343 14 L 4.8387 8.5647 128.0813 52.8659 44.6814 175.3432 15 N 5.1900 9.0127 123.8832 53.0182 38.8164 175.0234 16 I 4.2761 8.9278 119.7657 61.5640 37.9835 177.1531 17 A 4.2696 8.6018 126.1002 54.7078 18.5304 178.1523 18 Q 4.5236 8.4517 112.0495 54.7975 30.1945 175.6604 19 G 4.0183 8.0465 105.6315 46.8216 0.0000 173.6620 20 V 4.6644 7.3593 109.8360 58.1632 36.5012 174.1090 21 P 4.4335 0.0000 0.0000 62.9696 32.2224 177.6124 22 G 3.7609 9.0490 111.4565 44.7988 0.0000 172.4856 23 A 4.6455 8.2695 126.9524 51.8027 20.3845 176.2089 24 N 4.1910 8.5339 116.5072 54.7763 38.1741 173.4158 25 M 4.6097 8.0940 116.4819 53.8768 34.2053 175.2353 26 T 4.5711 8.4792 122.6530 63.7241 70.2595 173.4902 27 I 4.9269 8.8693 125.9653 59.4546 41.7739 174.3902 28 V 4.6241 8.3803 125.4480 60.9402 34.7252 173.6669 29 L 5.0196 8.8537 130.3609 53.9832 43.9433 174.8540 30 H 5.5355 9.2571 122.5081 54.0401 33.3232 172.4452 31 R 4.9028 8.8014 119.4569 54.2479 33.4972 174.0233 32 L 3.7510 8.4339 129.0555 54.6259 42.5499 175.7427 33 D 4.4041 8.9101 127.5251 53.2045 41.4710 175.2899 34 P 4.1476 0.0000 0.0000 65.7127 31.4062 177.7713 35 V 3.5754 7.4985 118.7257 65.0508 31.7952 175.9397 36 S 4.5480 7.6718 114.9885 57.4544 64.3883 173.4426 37 S 4.5404 8.4326 113.7916 57.8787 63.7861 173.7868 38 A 4.5180 7.4329 121.6853 51.5950 21.1997 177.1677 39 W 4.8149 8.5542 120.2879 56.1858 30.4955 175.5372 40 N 5.0691 8.9808 122.0126 51.4423 40.6812 174.2018 41 I 4.1601 8.4127 124.5082 61.6505 37.4195 175.4994 42 L 4.4403 9.0589 127.7724 56.8604 42.6695 176.8732 43 T 4.6740 7.4268 110.9709 61.1190 70.9105 171.8473 44 T 4.9522 8.4907 116.1489 59.9224 71.1877 173.0756 45 G 4.3103 9.4415 112.3457 44.3860 0.0000 170.8814 46 I 5.2140 8.0362 119.7336 59.0492 40.2228 176.1713 47 T 4.2663 8.8272 118.1785 61.9270 70.0546 174.5011 48 N 4.8577 8.9093 121.9000 51.8942 39.1839 175.2835 49 D 4.3178 8.6437 117.0190 57.5769 40.7932 177.0949 50 D 4.5474 8.2717 115.9146 53.8076 41.2873 176.6136 51 G 3.9421 8.5601 106.1080 46.3936 0.0000 173.8353 52 R 4.9549 7.9681 118.8685 54.8356 32.0271 175.3589 53 C 4.7848 7.9677 118.8082 56.9739 31.7698 171.7269 54 P 4.3703 0.0000 0.0000 62.7169 31.3858 175.9443 55 G 3.9206 8.6433 106.0124 46.5844 0.0000 176.2959 56 L 4.0460 8.1065 121.3759 57.3881 41.6988 177.7237 57 I 4.3414 7.0036 112.4916 58.9519 41.4149 173.5354 58 T 4.2876 8.1467 116.4108 60.7973 71.1725 175.7052 59 K 4.0477 8.5949 122.8314 59.8091 32.2271 178.5918 60 E 4.1534 8.1450 117.7008 59.2881 29.6548 178.0345 61 N 4.7213 8.0181 113.9492 53.8589 40.6078 175.4998 62 F 4.8029 7.6992 123.3322 57.7136 37.6767 174.3306 63 I 4.1231 7.4035 116.8672 58.7014 39.5590 176.5023 64 A 4.1189 8.2858 124.0881 51.7136 19.2341 178.9415 65 G 3.6469 7.3429 107.0163 45.4604 0.0000 170.6209 66 V 4.7859 7.5350 119.7776 61.3919 33.9165 175.7393 67 Y 5.1538 8.6375 124.7791 56.0753 41.8967 174.5013 68 K 4.8298 8.7406 121.3081 55.1432 35.9785 174.5918 69 M 4.8996 9.2637 127.2040 53.6174 34.5775 174.5885 70 R 4.9236 8.7407 125.1746 54.6326 32.4632 174.5504 71 F 5.0093 9.6745 125.6993 55.5595 41.5975 176.0291 72 E 4.5321 8.7665 126.4844 55.5304 26.1469 177.4211 73 T 4.1694 7.9410 113.8150 64.5741 69.5159 177.0210 74 G 3.7469 8.3800 108.6350 47.6334 0.0000 175.7814 75 K 4.0392 8.1721 120.9563 59.1185 31.5937 178.4945 76 Y 4.0006 8.1040 119.7325 60.7377 38.7512 178.4578 77 W 4.0101 8.5134 119.8262 59.5221 29.0400 177.8578 78 D 4.4011 8.6803 118.3477 57.6243 40.4366 178.4987 79 A 3.9890 7.8111 119.3184 54.3471 18.3938 178.5135 80 L 4.3240 7.1312 114.7846 54.3056 41.8992 177.2333 81 G 3.9595 8.4535 107.3198 45.9846 0.0000 173.4056 82 E 4.7456 8.1781 116.8784 54.2779 33.5179 175.5578 83 T 4.2201 8.2195 115.5113 61.7773 68.3371 173.3021 84 C 4.4850 7.9847 124.6324 56.9873 34.3731 173.9548 85 F 4.1214 8.1713 127.9676 60.2867 39.0863 174.8327 86 Y 4.4479 7.2715 118.3071 55.1968 39.0714 173.5983 87 P 4.6208 0.0000 0.0000 65.8732 32.5565 175.4402 88 Y 5.4229 6.9537 115.2744 56.4577 41.2205 174.1862 89 V 4.3177 9.1238 119.3213 61.0518 34.6867 173.7555 90 E 5.2088 9.0007 126.6147 54.6479 32.2074 175.1711 91 I 4.5515 8.9602 125.6042 59.6712 39.5715 174.6081 92 V 4.9441 8.5996 127.4667 61.1118 33.3760 174.6588 93 F 5.1901 8.7855 121.3931 55.9086 41.7795 173.0234 94 T 4.9282 8.7510 116.9911 62.2270 70.2713 173.9234 95 I 4.2357 9.0481 128.2170 60.1581 38.5403 175.9138 96 T 4.0398 8.7032 116.6523 62.7108 70.4850 174.0910 97 N 4.6220 8.0418 123.3649 52.3948 38.5058 174.5747 98 T 4.3770 8.5185 120.0661 62.6342 67.6900 174.7794 99 S 4.7661 8.7960 114.2057 58.8835 63.5112 174.0570 100 Q 4.4062 7.6627 118.8169 55.3354 29.9869 174.2553 101 H 4.8794 8.1458 119.3495 55.2574 32.1035 173.2354 102 Y 4.7588 8.7015 122.3476 56.3944 41.2676 173.7564 103 H 5.0789 9.1095 124.6922 54.4818 32.3598 173.2474 104 V 4.4798 8.3181 126.1320 60.3000 31.3677 172.9347 105 P 4.6742 0.0000 0.0000 61.1944 33.7392 175.2786 106 L 4.5110 8.6075 121.1766 53.2765 45.1492 174.7108 107 L 4.9694 8.8856 127.1589 53.1226 43.6282 175.3280 108 L 5.3779 9.1982 126.5900 53.3769 45.5641 175.4116 109 S 5.5236 8.8868 119.9410 56.6207 65.8360 174.0165 110 R 3.1207 8.2909 116.8572 58.4637 29.7455 178.1084 111 F 5.1049 7.8934 114.9893 56.3736 40.7247 174.3413 112 S 4.9541 8.1982 113.2954 57.9438 65.0573 172.8300 113 Y 5.6052 7.8995 118.9496 56.2703 40.9150 173.7197 114 S 4.7460 9.1902 113.7964 57.7582 66.9163 172.5798 115 T 5.0218 8.2406 114.7333 61.6236 70.6458 171.7156 116 Y 4.7235 7.6028 119.9536 55.8112 40.2222 173.7428 117 R 4.2190 8.7874 122.2727 55.7764 30.8838 175.7772 118 G 4.3461 8.9551 113.9030 44.6523 0.0000 173.0537 119 S 4.9504 8.3403 113.1403 57.3527 62.3552 173.6367 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 6 L 8.18 4.27 0.00 1.64 1.68 0.89 0.54 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 7 S 8.91 4.10 0.00 3.90 3.73 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 8 P 0.00 4.45 0.00 1.52 2.20 0.00 3.69 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.86 0.00 9 L 7.60 5.05 0.00 1.00 1.26 0.88 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 10 S 8.98 4.90 0.00 3.95 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 11 T 8.00 4.88 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 1.22 0.00 0.00 12 H 8.34 4.83 0.00 3.29 3.09 0.00 5.70 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 13 V 8.83 4.64 2.13 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 0.56 0.00 0.00 1.01 0.00 0.00 14 L 8.56 4.84 0.00 1.55 1.50 0.89 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 15 N 9.01 5.19 0.00 2.79 2.95 0.00 0.00 6.53 7.18 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 16 I 8.93 4.28 1.94 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.84 0.96 0.00 0.00 17 A 8.60 4.27 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.45 4.52 0.00 2.15 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.77 0.00 0.00 0.00 0.00 0.00 2.43 2.51 0.00 19 G 8.05 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.36 4.66 2.11 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 0.83 0.00 0.00 0.97 0.00 0.00 21 P 0.00 4.43 0.00 2.10 2.12 0.00 3.69 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 2.15 2.14 0.00 22 G 9.05 3.76 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 0.00 0.00 0.00 23 A 8.27 4.65 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 24 N 8.53 4.19 0.00 2.89 2.95 0.00 0.00 7.02 7.04 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 25 M 8.09 4.61 0.00 2.05 1.68 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.53 0.00 26 T 8.48 4.57 4.24 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 1.17 0.00 0.00 27 I 8.87 4.93 1.68 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.79 0.37 0.00 0.00 28 V 8.38 4.62 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 0.81 0.00 0.00 0.83 0.00 0.00 29 L 8.85 5.02 0.00 1.73 1.48 1.09 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 30 H 9.26 5.54 0.00 3.04 3.45 0.00 5.81 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 R 8.80 4.90 0.00 1.51 1.53 0.00 2.88 0.00 0.00 2.79 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.50 0.00 32 L 8.43 3.75 0.00 0.27 1.00 -0.26 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 33 D 8.91 4.40 0.00 2.64 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 34 P 0.00 4.15 0.00 2.12 2.05 0.00 3.69 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.85 0.00 35 V 7.50 3.58 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 0.75 0.00 0.00 0.88 0.00 0.00 36 S 7.67 4.55 0.00 3.94 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 37 S 8.43 4.54 0.00 3.82 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 A 7.43 4.52 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 W 8.55 4.81 0.00 3.14 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 40 N 8.98 5.07 0.00 2.75 2.71 0.00 0.00 6.70 7.05 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 41 I 8.41 4.16 1.86 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 1.32 0.50 0.86 0.00 0.00 42 L 9.06 4.44 0.00 1.70 1.76 0.96 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 43 T 7.43 4.67 4.24 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 1.26 0.00 0.00 44 T 8.49 4.95 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 1.15 0.00 0.00 45 G 9.44 4.31 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 0.00 46 I 8.04 5.21 1.86 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 1.39 0.70 0.93 0.00 0.00 47 T 8.83 4.27 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 1.25 0.00 0.00 48 N 8.91 4.86 0.00 2.96 3.02 0.00 0.00 6.95 8.79 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 49 D 8.64 4.32 0.00 2.67 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 50 D 8.27 4.55 0.00 2.61 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 G 8.56 3.94 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 0.00 0.00 0.00 52 R 7.97 4.95 0.00 1.87 1.83 0.00 3.01 0.00 0.00 3.02 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 53 C 7.97 4.78 0.00 2.83 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 54 P 0.00 4.37 0.00 2.06 1.95 0.00 3.84 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 55 G 8.64 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 8.11 4.05 0.00 1.73 1.71 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 57 I 7.00 4.34 1.88 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.19 0.73 0.00 0.00 58 T 8.15 4.29 4.27 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 1.23 0.00 0.00 59 K 8.59 4.05 0.00 1.80 1.94 0.00 1.85 0.00 0.00 1.84 0.00 0.00 3.22 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.49 1.68 7.81 60 E 8.15 4.15 0.00 2.02 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 2.35 2.40 0.00 61 N 8.02 4.72 0.00 2.80 2.93 0.00 0.00 7.25 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 F 7.70 4.80 0.00 3.09 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 63 I 7.40 4.12 1.84 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 1.40 0.72 0.98 0.00 0.00 64 A 8.29 4.12 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 65 G 7.34 3.65 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 0.00 0.00 0.00 66 V 7.53 4.79 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 1.18 0.00 0.00 0.88 0.00 0.00 67 Y 8.64 5.15 0.00 1.62 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 0.00 0.00 0.00 0.00 68 K 8.74 4.83 0.00 0.79 0.74 0.00 1.19 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.90 1.06 7.81 69 M 9.26 4.90 0.00 1.62 2.16 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.48 0.00 70 R 8.74 4.92 0.00 1.72 1.66 0.00 2.94 0.00 0.00 3.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.51 0.00 71 F 9.67 5.01 0.00 2.78 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 E 8.77 4.53 0.00 2.11 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 2.29 2.44 0.00 73 T 7.94 4.17 4.49 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 1.24 0.00 0.00 74 G 8.38 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 K 8.17 4.04 0.00 2.03 1.93 0.00 1.72 0.00 0.00 1.77 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.58 1.57 7.81 76 Y 8.10 4.00 0.00 3.02 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 77 W 8.51 4.01 0.00 3.49 3.37 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 78 D 8.68 4.40 0.00 2.89 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 79 A 7.81 3.99 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 80 L 7.13 4.32 0.00 1.76 1.66 -0.04 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 81 G 8.45 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 82 E 8.18 4.75 0.00 2.15 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 83 T 8.22 4.22 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 1.15 0.00 0.00 84 C 7.98 4.49 0.00 3.03 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 85 F 8.17 4.12 0.00 2.29 2.11 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 86 Y 7.27 4.45 0.00 2.99 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 87 P 0.00 4.62 0.00 2.20 2.30 0.00 3.48 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.80 0.00 88 Y 6.95 5.42 0.00 3.07 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 89 V 9.12 4.32 1.78 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 0.18 0.00 0.00 -0.06 0.00 0.00 90 E 9.00 5.21 0.00 1.89 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 2.17 2.53 0.00 91 I 8.96 4.55 2.15 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.91 1.08 0.00 0.00 92 V 8.60 4.94 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 1.10 0.00 0.00 0.86 0.00 0.00 93 F 8.79 5.19 0.00 3.12 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 94 T 8.75 4.93 4.32 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 1.24 0.00 0.00 95 I 9.05 4.24 1.80 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.76 0.40 0.00 0.00 96 T 8.70 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 1.23 0.00 0.00 97 N 8.04 4.62 0.00 2.84 2.95 0.00 0.00 6.79 7.22 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 98 T 8.52 4.38 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 1.25 0.00 0.00 99 S 8.80 4.77 0.00 4.03 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 0.00 100 Q 7.66 4.41 0.00 2.14 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.73 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 101 H 8.15 4.88 0.00 3.14 3.04 0.00 5.61 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 Y 8.70 4.76 0.00 2.72 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 0.00 103 H 9.11 5.08 0.00 3.19 3.04 0.00 5.52 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 0.00 104 V 8.32 4.48 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 0.72 0.00 0.00 0.16 0.00 0.00 105 P 0.00 4.67 0.00 1.89 1.81 0.00 3.36 0.00 0.00 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.91 0.00 106 L 8.61 4.51 0.00 0.49 0.88 0.41 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 107 L 8.89 4.97 0.00 1.70 1.61 1.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 108 L 9.20 5.38 0.00 1.65 1.59 1.13 0.52 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 0.00 109 S 8.89 5.52 0.00 4.00 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 0.00 110 R 8.29 3.12 0.00 1.37 0.99 0.00 2.84 0.00 0.00 2.75 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 111 F 7.89 5.10 0.00 2.95 2.81 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 0.00 112 S 8.20 4.95 0.00 4.04 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 0.00 113 Y 7.90 5.61 0.00 2.85 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 S 9.19 4.75 0.00 3.89 3.94 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 0.00 115 T 8.24 5.02 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 1.24 0.00 0.00 116 Y 7.60 4.72 0.00 3.07 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 0.00 117 R 8.79 4.22 0.00 1.91 1.99 0.00 3.34 0.00 0.00 3.31 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.79 0.00 118 G 8.96 4.35 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 0.00 119 S 8.34 4.95 0.00 3.79 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