NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3952 8.2649 122.4653 51.2379 20.0892 176.4823 3 K 3.9226 8.7228 120.8204 55.7528 32.9384 174.4441 4 K 4.5175 9.9044 127.8092 54.7389 34.6473 174.9606 5 I 4.6701 8.3474 128.8212 61.2227 37.7471 175.2571 6 I 4.8570 9.3802 119.9550 59.5923 41.8365 174.2333 7 T 5.1375 9.3732 119.7316 61.8930 71.7715 173.2934 8 V 4.6339 8.5966 126.5163 59.7817 34.5218 174.6764 9 N 5.0697 8.8749 122.2492 52.6517 39.8594 174.2273 10 V 4.6917 8.7181 125.3430 61.2547 34.0250 175.3588 11 N 3.9894 10.2559 126.5581 54.5269 36.4494 175.5174 12 G 3.9229 8.6070 103.6720 45.2676 0.0000 173.6092 13 K 4.6775 7.6740 120.6833 53.9206 35.2170 175.0768 14 A 4.3696 8.7176 129.1682 52.1302 19.3401 176.8334 15 Q 4.4696 9.2266 122.7127 54.1982 30.8736 174.5354 16 E 4.8367 8.6805 124.3033 55.4452 30.4084 176.0150 17 K 4.8455 9.2806 123.3011 54.9383 37.8420 175.1255 18 A 5.1209 8.5742 121.7152 50.6259 21.2616 175.9630 19 V 4.6203 8.6831 114.9533 59.4872 36.5532 175.7274 20 E 4.3200 8.7338 122.1999 55.7886 30.0454 176.5417 21 P 4.2454 0.0000 0.0000 65.7076 31.4542 177.7551 22 R 4.0906 7.8444 111.6931 57.1473 30.0053 176.4257 23 T 3.9597 7.8952 117.6094 63.6103 68.6405 173.8367 24 L 4.5222 8.4745 127.3196 54.2808 43.6798 177.8098 25 L 4.0512 9.0662 124.7283 58.4591 42.0051 179.4859 26 I 3.6707 7.8843 118.5527 64.4691 37.8227 177.6446 27 H 4.3874 8.1228 116.5568 58.3467 28.6019 177.3439 28 F 4.3144 8.2327 122.7556 61.3028 39.1884 177.1736 29 L 3.7919 8.1460 118.4588 57.8946 41.1048 179.8887 30 R 3.8604 7.9915 117.8611 59.1525 29.8412 178.8277 31 E 4.1061 8.7173 117.9860 58.8076 29.8946 178.1503 32 E 4.0492 7.9851 118.1313 58.0071 29.9522 177.5072 33 L 4.3629 7.3048 114.9815 53.2738 42.6338 175.9913 34 N 4.3721 7.7205 113.9151 53.4690 36.2948 175.3599 35 L 4.3587 7.6901 119.9920 53.9697 40.0028 176.5662 36 T 4.2921 7.7197 107.0686 61.7953 69.3413 177.3026 37 G 3.4427 8.2966 112.5066 48.9689 0.0000 174.9319 38 A 3.9243 7.6647 121.5576 52.0390 18.8592 176.1021 39 H 4.8957 8.4506 117.9933 53.8807 32.7205 173.0719 40 I 4.5137 8.4268 119.8934 59.7760 38.8020 176.1560 41 G 4.2294 8.6686 113.7809 44.8190 0.0000 171.0389 42 C 4.6994 7.4645 112.9456 58.0424 31.6041 173.1529 43 E 4.6399 8.8720 115.2118 56.2564 29.8555 176.2488 44 T 4.3875 7.9225 108.0843 61.4511 69.1814 174.6958 45 S 3.9619 8.1981 115.5775 60.1693 60.1430 171.0570 46 H 4.5968 8.3296 119.1972 58.1425 29.3662 176.6473 47 C 4.1841 8.1905 114.0683 59.3434 29.9126 175.2033 48 G 3.9905 8.6499 105.6800 45.7058 0.0000 174.8530 49 A 4.0654 7.8688 123.6503 54.1384 18.7409 178.8409 50 C 4.4909 7.8419 109.8816 58.1733 31.1814 173.6468 51 T 4.3912 7.5833 117.2425 64.6510 68.4176 173.9735 52 V 4.4958 8.7561 118.5467 59.5895 37.0202 174.1519 53 D 5.1403 8.7734 122.1697 53.3421 42.4348 175.0787 54 I 4.7360 8.6681 128.2695 59.8347 39.4586 176.1756 55 D 4.1493 9.7332 129.2297 55.4812 38.8676 174.8864 56 G 4.0152 8.6938 103.3995 45.5815 0.0000 173.5839 57 R 4.7006 7.7438 117.6595 53.9363 33.9873 174.4868 58 S 4.6535 8.6038 117.1235 58.5305 63.6390 173.9439 59 V 4.3971 8.7424 124.4117 60.9061 35.3111 174.6749 60 K 4.6885 8.7285 127.0585 55.7021 32.1348 177.8668 61 S 4.2120 8.7723 121.5913 60.2747 62.9520 175.9607 62 C 4.4275 7.9308 114.6732 59.5888 30.0860 173.7191 63 T 4.6998 7.8032 118.0345 62.6859 69.1699 173.3862 64 H 4.7915 7.8176 118.9377 54.8659 33.3363 172.0305 65 L 4.6081 8.5987 126.4238 53.9326 42.6352 178.0046 66 A 3.8310 8.6868 125.1643 55.0878 18.0700 180.3795 67 V 3.5928 7.5225 115.2428 63.6997 31.6379 177.2215 68 Q 4.3662 7.4758 117.6182 56.2000 29.1345 175.5001 69 C 4.7373 7.6509 117.1516 58.3919 28.7144 172.5983 70 D 4.6282 7.8615 119.8051 58.3689 39.9107 176.0485 71 G 4.0253 8.8849 116.1335 44.9685 0.0000 172.6003 72 S 4.5209 8.3648 116.4681 58.6027 64.7395 173.3004 73 E 4.8137 9.5073 121.6318 55.1354 30.9005 175.2057 74 V 4.8045 9.2879 126.6318 60.9954 34.2469 174.3766 75 L 5.2203 8.7705 127.2518 53.1153 44.6989 175.7297 76 T 4.8723 8.9736 113.5958 59.1887 72.2582 175.3327 77 V 3.5675 8.4048 121.1176 64.9446 31.1566 178.3136 78 E 3.9445 7.6079 118.8098 58.3197 29.3003 177.7715 79 G 3.9774 7.9611 106.3439 45.1447 0.0000 174.7083 80 L 3.8468 7.7913 120.5357 57.3318 41.7733 178.0340 81 A 4.2026 7.8028 120.2945 51.9935 19.0703 175.8814 82 N 4.8167 8.7674 120.9452 52.4661 40.6760 174.4608 83 K 3.5428 9.8607 126.7976 57.3292 30.7856 175.3362 84 G 4.0707 8.5049 106.8174 45.0288 0.0000 174.8890 85 V 3.7651 7.5760 120.5081 62.0359 31.8417 175.4804 86 L 4.5072 8.3948 127.4796 55.0046 42.3162 177.1516 87 H 4.4417 9.3266 121.3888 55.7529 31.8187 176.1762 88 A 4.1152 8.5123 127.5030 55.6213 18.1244 180.6667 89 V 3.8456 8.1438 117.0229 65.2513 31.7155 178.6231 90 Q 4.0494 8.0844 118.4188 58.5604 28.6327 178.0065 91 E 4.2343 8.7497 120.7893 59.1394 29.7064 179.1078 92 G 3.4759 8.6245 106.0269 47.9729 0.0000 175.7766 93 F 3.9488 8.5296 120.4143 59.9940 38.6970 177.3048 94 Y 4.2510 8.1605 119.2647 60.8922 38.5353 177.9808 95 K 3.4449 7.9555 118.3105 58.8670 32.1575 177.8131 96 E 4.2224 7.8650 115.5974 55.3880 29.8315 175.3235 97 H 4.0218 7.6280 117.6800 57.3628 28.4606 175.0094 98 G 3.7871 8.4590 105.1367 45.3479 0.0000 173.3207 99 L 4.7418 7.4326 118.4025 54.1832 42.6581 173.8110 100 Q 4.5424 7.9292 116.6612 57.4303 32.1878 176.3926 101 C 4.1901 7.9745 117.7781 59.3015 30.7251 175.3181 102 G 4.4987 8.3658 108.1735 46.4601 0.0000 175.0322 103 F 4.1148 8.2608 122.0277 61.0495 39.7700 175.7486 104 C 4.4100 8.1222 113.4634 59.5325 30.5757 175.3667 105 T 3.7694 7.6011 117.2650 66.6130 68.0273 174.3198 106 P 4.1769 0.0000 0.0000 65.5235 31.2611 178.9399 107 G 3.5572 7.8498 104.1059 47.8175 0.0000 175.6956 108 M 4.1143 7.9583 121.0150 58.0875 31.8948 178.8441 109 L 3.6500 7.9300 119.4847 58.0794 41.3576 179.5611 110 M 4.0145 7.8920 118.5845 58.2051 31.8185 178.9363 111 R 3.9684 8.0905 118.8355 59.4033 30.3420 178.4385 112 A 4.3854 8.5718 121.1013 55.1881 18.1194 178.9022 113 Y 4.0754 8.1879 117.8051 60.9470 39.1664 178.1868 114 R 3.8704 7.9330 118.9321 59.1773 30.2372 177.8466 115 F 4.4081 8.7693 120.9025 61.6669 38.8582 177.1212 116 L 4.0724 8.0897 118.9814 56.5311 41.0721 179.1835 117 Q 3.9973 7.5935 117.5698 58.2784 29.0388 177.6137 118 E 4.3172 7.8466 118.3949 57.9163 29.6961 176.3761 119 N 4.5930 8.0439 118.3370 51.0297 40.0186 172.6594 120 P 4.4202 0.0000 0.0000 63.9380 32.1069 177.0085 121 N 5.0032 7.3868 113.9356 50.2460 36.6675 172.0685 122 P 4.7177 0.0000 0.0000 63.3064 33.0275 177.8743 123 T 4.3664 8.7138 111.9991 60.6488 71.3018 175.6682 124 E 3.8923 8.6574 120.9439 59.5412 29.6195 178.4632 125 A 3.9888 8.0314 120.1223 55.4065 18.4483 179.3088 126 E 4.0255 8.2317 116.8730 59.4658 29.4857 179.7654 127 I 3.4734 8.0193 120.0929 64.4112 37.0170 178.6541 128 R 3.7927 7.9643 117.8777 59.4196 30.2846 178.5862 129 M 4.1894 8.1506 118.0994 58.5174 32.0968 178.5007 130 G 3.2585 8.2182 104.6244 46.6425 0.0000 174.4818 131 M 4.3942 7.3301 119.3726 55.0887 32.2726 177.3959 132 T 3.7581 7.4804 115.0467 64.4411 67.2544 174.7202 133 G 3.9360 7.9922 108.8135 45.6191 0.0000 172.0470 134 N 5.5275 8.0117 117.7545 51.3216 40.6920 174.2053 135 L 4.8531 8.9436 124.7531 54.0140 43.3732 175.9935 136 C 4.7502 9.0148 122.1543 58.0957 33.8129 174.1089 137 R 4.2521 8.8331 124.2467 57.8533 30.8166 177.5273 138 C 4.3187 7.9994 114.6807 62.1904 28.7975 175.1438 139 T 3.8280 7.6478 108.0455 62.5828 68.8702 175.6667 140 G 3.7256 7.8668 108.7409 45.1063 0.0000 175.3752 141 Y 3.7461 7.5364 118.6607 59.4260 37.9140 171.8626 142 Q 3.9991 8.3583 120.6622 59.6627 28.9040 178.5603 143 N 4.4954 8.0516 116.0617 55.6421 38.7166 177.4704 144 I 3.2748 7.4551 121.3102 64.2445 37.2592 178.5933 145 V 3.6753 7.9232 113.2790 64.1668 31.2465 178.8408 146 K 3.9961 7.6607 116.9835 59.2368 31.8834 179.2128 147 A 3.9740 8.0227 121.5121 55.1706 18.1103 179.9181 148 V 3.7693 7.8987 116.8004 66.2598 31.6139 178.3275 149 Q 4.0616 8.3170 118.0238 58.8792 28.4726 178.1039 150 Y 3.8890 8.2905 120.5676 60.6997 38.9004 177.9460 151 A 4.1629 8.4749 121.5347 55.1284 18.2837 179.3439 152 A 3.9644 8.2325 118.7219 55.4965 18.5099 179.8392 153 R 3.9579 7.9478 116.5018 59.2100 30.1244 179.2233 154 K 3.8616 8.0157 119.5347 59.4089 31.9543 178.9144 155 L 4.0806 7.9600 118.4401 57.2601 41.6112 178.5465 156 Q 4.2610 7.5897 115.7193 56.3347 29.0272 175.4699 157 E 4.2121 7.6839 125.7687 56.1181 29.8384 175.1441 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 2 A 8.26 4.40 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 3 K 8.72 3.92 0.00 1.74 1.78 0.00 1.74 0.00 0.00 1.84 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.62 7.81 4 K 9.90 4.52 0.00 1.75 1.62 0.00 1.60 0.00 0.00 1.61 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.38 7.81 5 I 8.35 4.67 1.87 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 1.41 0.65 0.92 0.00 0.00 6 I 9.38 4.86 1.79 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.78 0.89 0.00 0.00 7 T 9.37 5.14 4.25 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 1.23 0.00 0.00 8 V 8.60 4.63 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 0.96 0.00 0.00 0.99 0.00 0.00 9 N 8.87 5.07 0.00 2.92 2.85 0.00 0.00 6.17 7.81 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 10 V 8.72 4.69 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 11 N 10.26 3.99 0.00 2.84 2.84 0.00 0.00 7.14 8.18 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 12 G 8.61 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 13 K 7.67 4.68 0.00 1.83 1.75 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.35 7.81 14 A 8.72 4.37 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 15 Q 9.23 4.47 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.85 0.00 0.00 0.00 0.00 0.00 2.46 2.46 0.00 16 E 8.68 4.84 0.00 1.87 1.93 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 2.30 2.36 0.00 17 K 9.28 4.85 0.00 1.92 1.85 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.50 1.67 7.81 18 A 8.57 5.12 1.21 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 0.00 0.00 19 V 8.68 4.62 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 0.95 0.00 0.00 0.85 0.00 0.00 20 E 8.73 4.32 0.00 2.01 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 0.00 2.41 2.29 0.00 21 P 0.00 4.25 0.00 2.02 2.11 0.00 3.67 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 2.02 2.07 0.00 22 R 7.84 4.09 0.00 1.92 2.05 0.00 3.05 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 23 T 7.90 3.96 4.29 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 1.34 0.00 0.00 24 L 8.47 4.52 0.00 1.83 1.61 1.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 25 L 9.07 4.05 0.00 1.82 1.92 1.02 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 26 I 7.88 3.67 1.84 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 1.46 0.97 0.75 0.00 0.00 27 H 8.12 4.39 0.00 3.43 3.36 0.00 5.70 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 F 8.23 4.31 0.00 3.15 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 29 L 8.15 3.79 0.00 1.86 1.66 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 30 R 7.99 3.86 0.00 1.93 1.97 0.00 3.27 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.78 0.00 31 E 8.72 4.11 0.00 2.00 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 2.45 2.47 0.00 32 E 7.99 4.05 0.00 1.69 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 2.30 2.27 0.00 33 L 7.30 4.36 0.00 1.58 1.52 0.80 0.75 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 34 N 7.72 4.37 0.00 2.81 2.85 0.00 0.00 7.25 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 L 7.69 4.36 0.00 1.65 1.56 0.86 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.72 4.29 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 1.23 0.00 0.00 37 G 8.30 3.44 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 38 A 7.66 3.92 1.13 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 0.00 0.00 39 H 8.45 4.90 0.00 2.27 2.15 0.00 5.63 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 I 8.43 4.51 1.97 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 1.26 0.60 0.97 0.00 0.00 41 G 8.67 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 0.00 0.00 0.00 0.00 42 C 7.46 4.70 0.00 3.08 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 E 8.87 4.64 0.00 2.08 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 2.18 2.21 0.00 44 T 7.92 4.39 4.37 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 1.26 0.00 0.00 45 S 8.20 3.96 0.00 4.01 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 46 H 8.33 4.60 0.00 3.12 3.38 0.00 5.90 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 47 C 8.19 4.18 0.00 3.18 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 48 G 8.65 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 49 A 7.87 4.07 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 C 7.84 4.49 0.00 2.97 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 51 T 7.58 4.39 4.36 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 1.22 0.00 0.00 52 V 8.76 4.50 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 0.68 0.00 0.00 0.96 0.00 0.00 53 D 8.77 5.14 0.00 2.87 2.58 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 54 I 8.67 4.74 1.81 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.45 0.88 0.00 0.00 55 D 9.73 4.15 0.00 2.77 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 56 G 8.69 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 57 R 7.74 4.70 0.00 1.84 1.78 0.00 3.12 0.00 0.00 3.17 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 58 S 8.60 4.65 0.00 3.79 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 59 V 8.74 4.40 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 0.90 0.00 0.00 0.95 0.00 0.00 60 K 8.73 4.69 0.00 1.76 1.77 0.00 1.79 0.00 0.00 1.87 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.43 7.81 61 S 8.77 4.21 0.00 4.05 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 62 C 7.93 4.43 0.00 3.10 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 63 T 7.80 4.70 4.25 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 1.22 0.00 0.00 64 H 7.82 4.79 0.00 3.08 3.08 0.00 5.66 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 L 8.60 4.61 0.00 1.72 1.48 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.69 3.83 0.94 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 67 V 7.52 3.59 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 0.77 0.00 0.00 0.87 0.00 0.00 68 Q 7.48 4.37 0.00 2.04 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 7.02 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 69 C 7.65 4.74 0.00 2.98 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 70 D 7.86 4.63 0.00 2.56 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 71 G 8.88 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 S 8.36 4.52 0.00 3.85 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 73 E 9.51 4.81 0.00 1.86 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 2.24 2.38 0.00 74 V 9.29 4.80 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 0.98 0.00 0.00 0.95 0.00 0.00 75 L 8.77 5.22 0.00 1.69 1.34 0.91 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 76 T 8.97 4.87 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 77 V 8.40 3.57 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 0.62 0.00 0.00 0.81 0.00 0.00 78 E 7.61 3.94 0.00 1.76 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 79 G 7.96 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 80 L 7.79 3.85 0.00 1.68 1.65 0.77 -0.09 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 81 A 7.80 4.20 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 82 N 8.77 4.82 0.00 2.82 2.68 0.00 0.00 6.65 5.75 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 83 K 9.86 3.54 0.00 1.90 1.83 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.42 7.81 84 G 8.50 4.07 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 0.00 0.00 0.00 85 V 7.58 3.77 2.22 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 0.98 0.00 0.00 0.95 0.00 0.00 86 L 8.39 4.51 0.00 1.73 1.65 0.88 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 87 H 9.33 4.44 0.00 3.39 3.22 0.00 5.61 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 88 A 8.51 4.12 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 89 V 8.14 3.85 2.37 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 0.85 0.00 0.00 1.16 0.00 0.00 90 Q 8.08 4.05 0.00 2.33 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.94 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 91 E 8.75 4.23 0.00 2.18 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 2.43 2.51 0.00 92 G 8.62 3.48 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 0.00 93 F 8.53 3.95 0.00 3.33 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 94 Y 8.16 4.25 0.00 3.03 3.20 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 95 K 7.96 3.44 0.00 0.87 1.41 0.00 1.59 0.00 0.00 1.25 0.00 0.00 3.08 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.38 1.05 7.81 96 E 7.87 4.22 0.00 1.88 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.48 0.00 97 H 7.63 4.02 0.00 3.09 3.27 0.00 5.94 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 G 8.46 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 99 L 7.43 4.74 0.00 1.79 1.77 1.00 0.71 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 0.00 100 Q 7.93 4.54 0.00 2.01 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.15 0.00 0.00 0.00 0.00 0.00 2.23 2.22 0.00 101 C 7.97 4.19 0.00 3.09 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 0.00 102 G 8.37 4.50 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 0.00 103 F 8.26 4.11 0.00 2.90 3.12 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 0.00 104 C 8.12 4.41 0.00 3.31 3.25 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 0.00 105 T 7.60 3.77 4.30 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 1.14 0.00 0.00 106 P 0.00 4.18 0.00 1.98 1.93 0.00 3.64 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.04 0.00 107 G 7.85 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 0.00 0.00 0.00 108 M 7.96 4.11 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.91 0.00 109 L 7.93 3.65 0.00 1.58 1.52 0.74 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 110 M 7.89 4.01 0.00 2.02 2.17 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.74 0.00 111 R 8.09 3.97 0.00 2.02 2.15 0.00 3.21 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 1.63 1.72 0.00 112 A 8.57 4.39 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 0.00 0.00 0.00 0.00 0.00 0.00 113 Y 8.19 4.08 0.00 2.90 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 0.00 114 R 7.93 3.87 0.00 2.26 2.13 0.00 3.21 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.90 0.00 115 F 8.77 4.41 0.00 3.18 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 L 8.09 4.07 0.00 1.93 1.64 0.97 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 117 Q 7.59 4.00 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.97 0.00 0.00 0.00 0.00 0.00 2.19 2.10 0.00 118 E 7.85 4.32 0.00 1.91 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 2.30 2.57 0.00 119 N 8.04 4.59 0.00 2.34 1.73 0.00 0.00 7.21 7.26 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 0.00 120 P 0.00 4.42 0.00 2.01 2.02 0.00 3.62 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.92 0.00 121 N 7.39 5.00 0.00 2.87 2.76 0.00 0.00 7.04 7.63 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 0.00 122 P 0.00 4.72 0.00 2.48 2.12 0.00 3.75 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 123 T 8.71 4.37 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 124 E 8.66 3.89 0.00 2.07 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 2.38 2.40 0.00 125 A 8.03 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 0.00 126 E 8.23 4.03 0.00 2.44 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 127 I 8.02 3.47 2.05 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.96 0.89 0.00 0.00 128 R 7.96 3.79 0.00 1.69 1.88 0.00 3.13 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.81 0.00 129 M 8.15 4.19 0.00 2.14 2.06 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.59 0.00 130 G 8.22 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 0.00 0.00 0.00 131 M 7.33 4.39 0.00 2.01 2.00 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 2.47 2.40 0.00 132 T 7.48 3.76 4.37 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 1.23 0.00 0.00 133 G 7.99 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 0.00 134 N 8.01 5.53 0.00 2.80 2.81 0.00 0.00 6.88 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 0.00 135 L 8.94 4.85 0.00 1.73 1.69 1.02 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 136 C 9.01 4.75 0.00 2.84 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 0.00 0.00 0.00 137 R 8.83 4.25 0.00 1.82 1.93 0.00 3.41 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 138 C 8.00 4.32 0.00 2.91 3.19 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 0.00 139 T 7.65 3.83 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 1.16 0.00 0.00 140 G 7.87 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 0.00 0.00 0.00 141 Y 7.54 3.75 0.00 3.22 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 Q 8.36 4.00 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 143 N 8.05 4.50 0.00 2.75 2.96 0.00 0.00 7.11 7.23 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 0.00 144 I 7.46 3.27 2.10 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.59 1.03 0.00 0.00 145 V 7.92 3.68 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 0.92 0.00 0.00 0.94 0.00 0.00 146 K 7.66 4.00 0.00 1.98 1.84 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.59 7.81 147 A 8.02 3.97 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 V 7.90 3.77 2.30 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 1.37 0.00 0.00 1.15 0.00 0.00 149 Q 8.32 4.06 0.00 2.38 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.59 0.00 0.00 0.00 0.00 0.00 2.43 2.64 0.00 150 Y 8.29 3.89 0.00 3.13 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 0.00 151 A 8.47 4.16 1.65 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 0.00 152 A 8.23 3.96 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 0.00 153 R 7.95 3.96 0.00 2.05 1.80 0.00 3.09 0.00 0.00 3.00 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 154 K 8.02 3.86 0.00 1.73 1.92 0.00 1.92 0.00 0.00 1.75 0.00 0.00 3.24 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.45 7.81 155 L 7.96 4.08 0.00 1.65 1.70 0.95 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 156 Q 7.59 4.26 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.73 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 157 E 7.68 4.21 0.00 1.84 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.18 0.00