NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.3112 8.3027 118.9442 56.3115 31.8566 174.4830 2 Q 4.4254 8.6006 123.1772 54.6176 28.9700 173.7005 3 L 4.7408 8.5781 127.4204 54.6372 43.4390 176.4559 4 T 4.2703 8.8762 112.0959 60.1822 71.4330 175.2122 5 K 3.5195 8.8480 121.2055 60.7265 31.8741 178.9744 6 C 4.3623 7.9956 115.6378 59.7043 41.4893 175.5345 7 E 3.9014 7.7340 119.4884 59.8183 29.0451 179.8341 8 V 3.4959 7.8877 118.0971 65.7289 31.2493 177.7284 9 F 4.0346 7.8456 119.3039 61.3279 39.4665 176.6562 10 R 4.1586 8.5209 118.0655 59.9016 29.8113 178.8365 11 E 4.0832 8.1391 115.9711 58.2984 29.7687 177.8860 12 L 4.4385 7.8540 118.9646 54.4272 42.3336 178.5419 13 K 3.7241 7.5399 123.8126 59.7203 32.1612 178.5562 14 D 4.4301 7.8494 116.1654 56.2375 41.1541 176.7617 15 L 4.1366 7.6520 118.8716 54.5837 42.0279 176.3202 16 K 4.0610 7.9632 119.5440 59.9151 32.0731 177.2660 17 G 3.9471 9.1995 114.4247 45.0105 0.0000 171.4639 18 Y 4.0454 7.9550 121.9780 58.7819 38.7467 176.1838 19 G 3.8563 8.3607 115.6231 44.8186 0.0000 172.8576 20 G 3.8194 7.8181 106.3648 46.3560 0.0000 173.8137 21 V 4.4118 7.5868 118.6409 59.8632 32.7449 175.6065 22 S 4.7306 8.7773 122.6628 57.6163 65.1633 174.9272 23 L 4.0497 8.5331 122.9767 57.9503 41.3627 177.8612 24 P 4.7157 0.0000 0.0000 65.2753 30.7899 178.2430 25 E 3.8506 8.0211 116.8401 59.3552 29.2658 179.5436 26 W 4.2668 7.8380 118.7522 59.1852 29.2675 178.8326 27 V 3.7816 8.1058 119.8656 65.5260 30.9670 177.1497 28 C 2.4500 7.5061 117.8484 59.4129 42.6490 175.6838 29 T 3.7441 7.8432 117.6306 66.6724 67.8982 176.7106 30 T 3.8393 8.5114 112.1011 64.8510 68.7617 175.8796 31 F 3.4742 8.0673 123.6952 60.8903 39.0601 175.9642 32 H 4.4254 7.8310 111.9905 56.1093 28.7158 175.9285 33 T 4.5126 7.1718 116.2573 64.5382 70.2195 175.2502 34 S 4.5193 7.9123 111.8566 56.7227 64.1566 174.5301 35 G 3.3904 8.3430 108.3396 46.9914 0.0000 174.0987 36 Y 3.8094 8.0060 113.7935 58.2306 35.3021 168.3922 37 D 5.1063 7.8941 120.9978 53.0754 41.3328 177.3274 38 T 4.0785 8.7174 118.3620 63.8620 69.0779 175.8174 39 Q 4.6878 8.2705 120.2480 55.5099 29.2887 175.0280 40 A 4.3364 7.7881 121.4171 51.9149 19.6801 177.5289 41 I 4.8811 8.3065 122.2055 59.4066 40.4563 174.9415 42 V 4.5309 8.4743 127.3012 61.0266 33.8421 174.3429 43 Q 5.1092 8.4801 124.3186 55.2012 30.8724 173.8137 44 N 4.9942 8.4264 116.9639 53.7557 40.0501 175.9476 45 N 3.8856 7.4445 113.6427 54.9171 38.8086 175.5970 46 D 5.2304 6.9412 124.3616 54.6706 42.8092 176.1397 47 S 4.8397 7.2541 112.2023 57.4153 66.6472 172.7940 48 T 5.0150 9.1039 115.2340 60.6654 71.0675 172.1767 49 E 5.3545 9.5535 127.5996 54.8296 33.1679 174.5067 50 Y 5.0733 9.0744 120.6766 57.6444 42.0692 176.9569 51 G 4.3080 9.3915 112.1296 45.4613 0.0000 173.0030 52 L 3.9345 8.5879 118.6022 57.1803 41.8626 178.6797 53 F 4.6957 8.2006 113.3692 56.7409 40.0833 175.1412 54 Q 3.7302 7.8361 118.7894 56.9851 26.4882 174.1991 55 I 4.1313 8.1879 119.3441 60.7387 38.0732 176.3339 56 N 5.5308 9.0554 123.0940 52.0326 38.9250 175.0953 57 N 5.7886 8.5079 114.8380 52.2297 37.8837 176.3726 58 K 4.3624 8.5750 120.4475 59.2644 32.3693 177.9953 59 I 4.6190 7.6292 107.1831 58.5687 39.3728 176.4745 60 W 4.5986 7.9785 120.4417 58.3580 30.2462 173.2845 61 C 5.6604 7.9479 110.7392 54.1744 45.6869 172.9495 62 K 5.0568 8.5974 119.1571 55.7284 34.8330 175.2239 63 D 4.7737 8.0448 119.8019 52.8755 42.2133 175.1944 64 D 4.4809 8.8451 117.2778 57.3987 41.1442 177.8998 65 Q 4.1274 8.3353 119.5533 58.2748 29.8966 175.4467 66 N 5.0649 8.5780 115.6752 51.0664 38.5177 172.7358 67 P 4.4995 0.0000 0.0000 64.4418 32.1430 177.6554 68 H 4.6497 8.0262 115.0348 55.3969 28.8729 174.9458 69 S 4.3318 7.7976 114.8835 58.5494 62.6183 174.9628 70 S 4.0274 8.6254 119.8304 59.4002 63.6733 173.3790 71 N 4.3624 8.4367 119.7530 54.3009 37.3365 174.9507 72 I 3.6552 8.0589 120.5754 64.8652 37.7423 177.5971 73 C 4.4732 8.4769 115.4716 57.2267 40.7385 172.4492 74 N 4.0558 8.7497 117.0127 53.4662 36.9703 173.4331 75 I 4.1833 8.1126 115.7035 59.7589 42.0510 173.2833 76 S 4.4971 8.2586 122.7360 58.6799 63.3810 175.8764 77 C 3.6887 8.6186 123.7482 60.0939 36.8293 176.0252 78 D 4.2169 7.5479 119.0331 55.2950 38.8956 178.0153 79 K 4.0134 7.5229 119.6072 58.3948 31.7513 177.1142 80 F 5.5024 7.8894 117.6024 56.6824 38.8864 176.6712 81 L 5.3489 8.1832 118.7458 53.6049 42.7762 176.3015 82 D 4.8319 7.8336 118.5014 52.4406 41.6821 175.1428 83 D 4.5006 8.4579 116.9361 55.9238 41.5433 176.2823 84 D 4.4798 7.4209 115.9767 54.0040 40.8708 175.9245 85 L 4.7423 8.3902 126.1900 54.9846 41.9886 178.2702 86 T 3.8399 8.2705 118.6139 67.0253 68.5607 176.0805 87 D 4.4235 8.0737 120.2204 56.3426 39.0801 177.8276 88 D 4.1082 8.3018 119.9090 57.4037 40.8001 178.8408 89 I 3.1688 7.6065 119.8997 64.4479 36.9129 178.3611 90 M 3.8603 7.6963 119.0186 58.3551 31.6547 178.1346 91 C 4.2247 7.9512 118.3636 59.5342 41.3557 175.4238 92 V 3.3139 7.2186 119.8824 66.2117 30.8610 178.0699 93 K 3.8322 7.9717 118.0982 59.3238 31.5836 179.3255 94 K 4.4277 7.5400 120.0912 58.4428 31.9768 179.4765 95 I 3.0543 7.5544 120.4294 63.9902 36.7784 178.4221 96 L 4.1877 8.4713 120.3198 58.0632 41.1256 179.3587 97 D 4.5227 8.5398 118.8706 56.1450 40.4654 178.1265 98 K 4.5351 7.9473 117.9698 57.2650 34.3753 177.7248 99 V 4.4617 8.5434 110.1598 60.1455 33.0126 176.1055 100 G 3.9801 7.8782 105.9804 44.3497 0.0000 174.1049 101 I 4.0426 8.1980 117.0230 63.9864 37.9809 177.0197 102 N 4.7710 8.1694 114.7022 54.0848 38.4943 175.0941 103 Y 3.8509 7.7262 120.2327 60.3045 39.0313 176.8115 104 W 4.2509 7.7870 124.1559 56.4043 27.8911 177.0401 105 L 4.0845 8.3727 124.7148 57.0280 41.6314 179.5439 106 A 3.7788 8.0393 121.0416 54.5400 19.0666 179.0432 107 H 4.0174 8.3141 116.0563 59.2104 30.0645 177.5323 108 K 4.3956 8.2877 117.7479 58.4331 32.3886 177.5863 109 A 4.2416 7.5069 120.9370 53.8831 18.6226 177.9147 110 L 4.7744 7.9311 112.4447 54.5676 43.8045 176.5353 111 C 5.0153 8.1555 114.9267 56.8344 36.8272 174.5681 112 S 4.4576 7.8650 114.1944 57.9967 63.1241 173.1874 113 E 4.8722 7.9676 117.3041 56.1908 31.7126 174.7015 114 K 4.1314 8.5598 115.3413 57.4876 29.7428 177.5730 115 L 4.5694 7.4195 116.7332 56.9767 41.8052 179.2753 116 D 4.5171 8.0379 117.7247 55.3138 39.4953 176.9246 117 Q 3.9106 7.7095 116.9180 56.5674 29.1412 175.8858 118 W 5.1083 7.8722 119.4405 56.7412 30.1111 174.7401 119 L 4.7955 7.8620 116.6565 53.0884 43.6338 177.3169 120 C 4.5150 7.8093 120.9139 55.7105 42.2086 173.9366 121 E 4.4010 8.6633 123.6672 55.4500 30.9424 173.3882 122 K 4.2736 8.6447 124.2628 54.2266 31.7253 172.1517 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 1 E 8.30 4.31 0.00 2.09 2.17 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 2.29 2.34 0.00 2 Q 8.60 4.43 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 7.03 0.00 0.00 0.00 0.00 0.00 2.36 2.62 0.00 3 L 8.58 4.74 0.00 1.62 1.45 0.93 0.82 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 4 T 8.88 4.27 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 1.22 0.00 0.00 5 K 8.85 3.52 0.00 1.93 1.85 0.00 1.67 0.00 0.00 1.77 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.65 1.83 7.81 6 C 8.00 4.36 0.00 2.96 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 7 E 7.73 3.90 0.00 2.20 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 2.32 2.32 0.00 8 V 7.89 3.50 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 1.03 0.00 0.00 0.39 0.00 0.00 9 F 7.85 4.03 0.00 3.10 3.24 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 10 R 8.52 4.16 0.00 2.27 2.02 0.00 3.29 0.00 0.00 3.43 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.82 0.00 11 E 8.14 4.08 0.00 1.98 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 2.33 2.47 0.00 12 L 7.85 4.44 0.00 1.57 1.44 0.75 0.91 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 13 K 7.54 3.72 0.00 1.90 1.74 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.34 7.81 14 D 7.85 4.43 0.00 2.59 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.65 4.14 0.00 1.60 1.33 0.15 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.96 4.06 0.00 1.79 1.80 0.00 1.51 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.57 1.38 7.81 17 G 9.20 3.95 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 0.00 0.00 0.00 18 Y 7.95 4.05 0.00 3.11 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 19 G 8.36 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 0.00 0.00 0.00 20 G 7.82 3.82 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 0.00 21 V 7.59 4.41 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 0.31 0.00 0.00 0.90 0.00 0.00 22 S 8.78 4.73 0.00 4.18 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 23 L 8.53 4.05 0.00 1.62 1.56 0.83 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 24 P 0.00 4.72 0.00 2.30 2.45 0.00 4.01 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 25 E 8.02 3.85 0.00 1.94 1.77 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 2.27 2.35 0.00 26 W 7.84 4.27 0.00 3.45 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 27 V 8.11 3.78 2.46 0.00 0.00 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 0.00 0.00 1.23 0.00 0.00 28 C 7.51 2.45 0.00 1.23 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 29 T 7.84 3.74 4.06 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 1.17 0.00 0.00 30 T 8.51 3.84 4.28 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 0.83 0.00 0.00 31 F 8.07 3.47 0.00 2.65 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 H 7.83 4.43 0.00 3.17 3.21 0.00 5.68 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 T 7.17 4.51 4.43 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 34 S 7.91 4.52 0.00 3.94 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.34 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 Y 8.01 3.81 0.00 3.32 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 37 D 7.89 5.11 0.00 2.87 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 T 8.72 4.08 4.46 0.00 0.00 0.00 0.00 0.00 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 39 Q 8.27 4.69 0.00 2.22 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.87 0.00 0.00 0.00 0.00 0.00 2.56 2.32 0.00 40 A 7.79 4.34 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 41 I 8.31 4.88 1.82 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.92 0.65 0.00 0.00 42 V 8.47 4.53 2.12 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 0.97 0.00 0.00 0.99 0.00 0.00 43 Q 8.48 5.11 0.00 2.08 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.48 0.00 0.00 0.00 0.00 0.00 2.15 2.31 0.00 44 N 8.43 4.99 0.00 2.85 2.94 0.00 0.00 7.35 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 N 7.44 3.89 0.00 2.75 2.96 0.00 0.00 6.59 8.06 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 46 D 6.94 5.23 0.00 2.73 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 47 S 7.25 4.84 0.00 4.34 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 48 T 9.10 5.02 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 1.29 0.00 0.00 49 E 9.55 5.35 0.00 2.13 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 2.26 2.24 0.00 50 Y 9.07 5.07 0.00 3.23 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 51 G 9.39 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 52 L 8.59 3.93 0.00 1.51 1.46 0.90 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 53 F 8.20 4.70 0.00 3.06 3.43 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.84 3.73 0.00 2.44 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.81 0.00 0.00 0.00 0.00 0.00 2.51 2.64 0.00 55 I 8.19 4.13 1.79 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.48 0.95 0.00 0.00 56 N 9.06 5.53 0.00 3.17 3.20 0.00 0.00 6.27 6.98 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 57 N 8.51 5.79 0.00 3.14 3.30 0.00 0.00 6.97 6.88 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 58 K 8.58 4.36 0.00 1.95 1.92 0.00 1.72 0.00 0.00 1.81 0.00 0.00 3.10 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.52 1.46 7.81 59 I 7.63 4.62 1.35 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.65 0.75 0.00 0.00 60 W 7.98 4.60 0.00 3.80 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 61 C 7.95 5.66 0.00 3.11 3.38 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 62 K 8.60 5.06 0.00 1.82 1.92 0.00 1.26 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.28 7.81 63 D 8.04 4.77 0.00 2.76 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 64 D 8.85 4.48 0.00 2.73 2.80 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 65 Q 8.34 4.13 0.00 2.07 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.33 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 66 N 8.58 5.06 0.00 2.79 2.81 0.00 0.00 6.95 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 67 P 0.00 4.50 0.00 2.09 2.13 0.00 3.46 0.00 0.00 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 68 H 8.03 4.65 0.00 3.13 3.36 0.00 5.93 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 69 S 7.80 4.33 0.00 4.19 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 70 S 8.63 4.03 0.00 3.93 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 71 N 8.44 4.36 0.00 3.02 2.79 0.00 0.00 7.03 8.35 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 72 I 8.06 3.66 1.75 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.50 1.03 0.00 0.00 73 C 8.48 4.47 0.00 3.43 3.35 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 74 N 8.75 4.06 0.00 2.86 2.90 0.00 0.00 6.89 7.50 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 75 I 8.11 4.18 1.93 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.78 0.66 0.00 0.00 76 S 8.26 4.50 0.00 3.73 3.61 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 77 C 8.62 3.69 0.00 2.19 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 78 D 7.55 4.22 0.00 2.89 2.85 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 0.00 0.00 0.00 79 K 7.52 4.01 0.00 1.44 1.95 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.31 1.47 7.81 80 F 7.89 5.50 0.00 3.23 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 81 L 8.18 5.35 0.00 1.80 1.76 1.14 1.35 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 82 D 7.83 4.83 0.00 2.78 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 83 D 8.46 4.50 0.00 2.70 2.85 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 0.00 0.00 0.00 84 D 7.42 4.48 0.00 2.63 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.39 4.74 0.00 1.73 1.71 1.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 86 T 8.27 3.84 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 1.17 0.00 0.00 87 D 8.07 4.42 0.00 3.03 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 88 D 8.30 4.11 0.00 2.97 2.71 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 89 I 7.61 3.17 1.79 0.00 0.00 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 1.15 0.72 0.59 0.00 0.00 90 M 7.70 3.86 0.00 1.99 2.20 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.59 0.00 91 C 7.95 4.22 0.00 3.18 2.92 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 92 V 7.22 3.31 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 0.29 0.00 0.00 -0.23 0.00 0.00 93 K 7.97 3.83 0.00 1.76 1.43 0.00 1.29 0.00 0.00 1.03 0.00 0.00 2.40 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.30 0.77 7.81 94 K 7.54 4.43 0.00 2.00 2.03 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.51 7.81 95 I 7.55 3.05 1.52 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 -0.35 0.00 0.00 96 L 8.47 4.19 0.00 2.12 1.97 1.31 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 97 D 8.54 4.52 0.00 2.83 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 98 K 7.95 4.54 0.00 1.97 1.99 0.00 1.64 0.00 0.00 1.76 0.00 0.00 3.10 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.56 1.91 7.81 99 V 8.54 4.46 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 1.11 0.00 0.00 100 G 7.88 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 0.00 101 I 8.20 4.04 1.78 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.78 0.79 0.00 0.00 102 N 8.17 4.77 0.00 2.80 2.87 0.00 0.00 6.85 7.46 0.00 0.00 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 Y 7.73 3.85 0.00 2.53 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 0.00 0.00 0.00 104 W 7.79 4.25 0.00 3.84 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 0.00 105 L 8.37 4.08 0.00 1.70 1.70 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 106 A 8.04 3.78 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 0.00 107 H 8.31 4.02 0.00 3.12 3.42 0.00 5.59 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 K 8.29 4.40 0.00 1.80 1.83 0.00 1.66 0.00 0.00 2.39 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.39 7.81 109 A 7.51 4.24 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 0.00 110 L 7.93 4.77 0.00 1.73 1.58 0.87 0.70 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 0.00 111 C 8.16 5.02 0.00 2.88 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 S 7.86 4.46 0.00 3.93 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 E 7.97 4.87 0.00 2.11 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 2.23 2.31 0.00 114 K 8.56 4.13 0.00 2.23 1.93 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.99 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.46 1.48 7.81 115 L 7.42 4.57 0.00 1.92 1.84 1.06 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 116 D 8.04 4.52 0.00 2.75 2.80 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 0.00 117 Q 7.71 3.91 0.00 1.54 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.45 0.00 0.00 0.00 0.00 0.00 1.54 1.16 0.00 118 W 7.87 5.11 0.00 3.55 3.28 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 0.00 119 L 7.86 4.80 0.00 1.54 1.49 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 120 C 7.81 4.52 0.00 1.33 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 0.00 121 E 8.66 4.40 0.00 1.98 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 2.15 1.85 0.00 122 K 8.64 4.27 0.00 1.92 1.66 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.26 0.98 7.81