NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.4448 8.2549 117.2743 56.4760 32.3576 174.4053 3 H 4.3511 8.0038 114.2745 55.0493 28.7669 176.1575 4 L 4.1151 8.7669 128.4310 58.1722 40.3597 174.4557 5 K 4.3803 7.7742 118.6546 56.8278 33.0532 177.2363 6 S 4.6421 7.4238 112.8807 56.5330 65.6467 175.2219 7 G 3.9748 8.1830 114.1756 46.2625 0.0000 170.7365 8 R 4.1562 8.9245 122.3794 56.6292 26.2741 175.8887 9 K 4.2862 8.1539 120.9125 56.4877 33.8706 177.3289 10 L 4.7441 8.4678 119.6970 53.5547 44.7371 174.2346 11 N 4.8115 10.0942 113.6887 53.0236 40.2818 176.9837 12 R 3.8500 8.2750 119.9393 56.8528 27.7606 173.4584 13 H 5.1090 8.2875 117.2859 54.2614 31.1344 173.0340 14 S 4.1065 8.2993 114.1409 60.0051 61.7139 175.6739 15 S 3.9569 8.5953 117.1846 62.2856 62.8502 176.1264 16 H 4.3000 7.9532 119.4207 57.8832 29.9523 176.7538 17 R 3.9583 8.8112 121.8572 59.1394 30.1408 177.4898 18 L 3.4758 7.8629 119.4435 58.4145 41.9307 178.8627 19 A 4.1613 8.1997 119.6963 54.3332 18.0287 178.6452 20 L 4.0993 8.0519 118.3906 56.9114 42.0195 177.7399 21 Y 3.9005 7.9112 115.8813 60.7260 38.5393 178.0234 22 R 4.4598 7.8873 117.8694 58.8219 30.1155 178.4756 23 N 4.3661 8.6909 117.1381 55.6277 38.4020 177.2585 24 Q 3.9882 7.6372 119.4442 58.6506 29.1955 177.9459 25 A 3.8276 8.5027 122.1334 55.8868 18.0339 179.1676 26 K 4.0486 7.6179 116.2705 58.8191 32.3234 178.9064 27 S 4.1897 8.4550 117.0919 62.5958 63.1867 176.2448 28 L 4.3331 9.1933 124.1347 56.2456 42.4980 175.7331 29 L 4.3536 7.9871 128.2542 54.8176 40.7150 176.8575 30 T 5.0410 7.1734 129.9775 62.8213 67.0584 172.3891 31 H 4.7319 9.0334 117.6636 56.8367 30.9625 174.5522 32 G 4.3003 8.3465 111.3445 45.6197 0.0000 173.5149 33 R 4.6581 7.5491 123.1861 55.3580 29.5517 175.6137 34 I 4.7058 8.6087 124.2536 59.6677 41.6510 175.3707 35 T 5.0352 8.7244 120.7987 61.6333 71.4687 172.8401 36 T 4.8125 8.2148 116.1998 59.0523 72.9513 173.4841 37 T 4.1617 8.3487 111.4870 61.5256 68.8163 174.0292 38 V 3.5056 7.9324 119.6778 66.2823 31.2392 175.9297 39 P 4.1450 0.0000 0.0000 65.6544 31.2714 178.3352 40 K 3.7234 7.5401 116.9112 60.5425 32.2723 177.7027 41 A 4.0230 8.5181 121.4844 54.2979 17.9727 179.6691 42 K 3.6491 9.1252 111.3231 59.3797 32.4063 177.8725 43 E 3.9538 8.3814 122.9057 59.1225 29.9155 178.5661 44 L 4.0918 8.2963 119.1214 54.4625 42.7514 178.4825 45 R 4.3554 10.6400 114.6010 58.4224 29.0576 180.3008 46 G 3.7439 8.6151 104.4986 46.2690 0.0000 174.8151 47 F 4.1986 8.3857 123.1379 61.0309 39.5988 177.5502 48 V 3.7516 8.6049 118.6523 64.6189 31.2036 178.0910 49 D 4.4104 8.0389 119.3257 57.2773 40.5740 177.0244 50 H 4.7395 8.3289 115.8821 56.7492 29.8994 175.8885 51 L 4.0358 7.4031 121.3729 57.4356 42.3923 177.7113 52 I 4.1519 7.4860 119.1457 62.7512 37.2245 177.3053 53 H 4.4657 8.4375 119.1947 58.6522 29.8888 176.3245 54 L 4.1122 7.8623 116.7931 55.7607 42.2527 178.1128 55 A 4.6815 8.3457 121.0708 55.1504 18.4609 178.9043 56 K 3.7656 8.0065 115.4917 59.1801 31.8315 178.2601 57 R 4.0858 9.0199 117.0541 58.8358 30.8874 178.8570 58 G 3.1130 7.9905 108.4769 45.3523 0.0000 174.5113 59 D 4.7198 8.3792 119.3778 52.0355 41.9299 179.4008 60 L 3.4847 7.6086 124.5374 57.6290 44.2346 177.9943 61 H 4.1175 8.4014 116.9184 59.3136 29.5993 176.8630 62 A 4.0981 8.5627 121.6727 55.7941 18.3912 178.5840 63 R 4.0648 8.0183 115.4233 60.1675 29.8538 178.7700 64 R 3.8976 8.0418 117.3361 59.7452 30.4529 178.6022 65 L 3.9857 7.8241 118.4847 57.1275 42.1767 178.1475 66 V 4.0582 8.1725 117.4162 64.9899 32.3661 177.3743 67 L 4.4853 7.8457 117.8093 57.5363 41.4298 178.4397 68 R 3.8010 7.7026 116.6312 59.6403 29.8636 177.5002 69 D 4.4719 7.8927 120.9017 57.6855 41.7539 177.7626 70 L 4.1994 7.6712 124.1147 54.2823 40.6770 177.5038 71 Q 4.2142 8.5667 124.6358 56.8435 29.5086 175.0893 72 D 4.8112 7.7003 117.5246 53.2454 42.4727 176.3995 73 V 3.6408 8.4806 124.4278 65.9531 32.3473 176.5058 74 K 4.6554 7.7020 120.1798 54.2169 30.6984 175.1196 75 L 4.4055 7.1107 119.7435 55.7748 48.3756 175.6939 76 V 3.6114 7.7793 118.8333 64.3205 31.9517 178.0906 77 R 3.9032 7.8244 119.5369 59.1798 30.0972 178.5034 78 K 4.0650 7.9812 113.9743 57.4180 32.4358 176.0457 79 L 4.5047 8.3236 118.1102 56.7346 43.8390 178.6856 80 F 4.5354 8.5713 116.1507 60.5824 38.8527 176.1441 81 D 4.9501 8.0155 117.8882 54.0204 40.5912 176.6279 82 E 4.8159 7.4863 117.8262 57.8726 37.4300 176.6273 83 I 3.8370 7.5440 120.6414 63.2154 37.7553 177.4543 84 A 4.1544 7.7390 124.2180 54.4430 18.7519 177.6169 85 P 4.2515 0.0000 0.0000 66.9266 31.7701 179.6329 86 R 3.6030 6.9168 114.8918 58.8197 31.4849 176.4410 87 Y 3.8401 7.1060 114.3361 57.5418 36.1120 175.6236 88 R 4.0545 8.9952 127.4476 58.4797 30.5727 176.2399 89 D 4.3751 7.8370 116.8916 56.5595 41.2332 176.6745 90 R 4.2385 7.8056 118.7628 55.7244 28.9004 175.5307 91 Q 4.5673 8.3373 125.5424 54.6654 27.8649 175.3265 92 G 3.5313 9.1342 109.8504 46.4263 0.0000 171.5441 93 G 3.5145 7.9573 109.6271 46.2278 0.0000 172.7768 94 Y 4.5582 7.2304 110.4871 57.8622 38.4281 175.8786 95 T 4.6763 7.2184 112.0399 61.3736 70.3466 172.2223 96 R 4.7623 8.4587 125.3055 54.5273 34.0692 174.6394 97 V 5.2976 8.1493 122.0243 60.5026 34.0680 174.3106 98 L 4.9841 8.3195 127.6374 52.6253 45.6028 175.7931 99 K 4.5753 8.6952 122.4750 56.3938 34.0702 176.5459 100 L 4.6893 7.7623 123.5187 53.4761 44.3209 174.8242 101 A 4.6219 8.2360 121.6199 51.5808 21.7302 174.1324 102 E 3.7117 7.7875 121.0869 56.4512 26.9387 176.3342 103 R 2.9867 7.5146 114.4729 56.3381 30.9441 178.2168 104 R 4.1828 8.7960 125.1662 56.1897 32.9619 172.3189 105 R 3.9399 8.8233 125.8121 59.8158 28.9600 174.8771 106 G 3.6113 7.7184 117.7502 45.5581 0.0000 172.3371 107 D 4.5272 7.9621 120.4070 55.5505 39.8612 176.2114 108 G 3.6875 7.6806 105.0686 47.7662 0.0000 175.2584 109 A 4.6121 7.8212 125.2301 49.2939 20.7771 175.8795 110 P 4.5399 0.0000 0.0000 62.8280 32.1253 175.1193 111 L 4.8385 7.9474 117.7030 54.5569 46.6730 173.3497 112 A 4.7277 8.3796 119.0134 51.7526 22.5533 175.1462 113 L 5.0106 9.4001 115.8904 53.4728 45.9392 176.6366 114 V 5.5015 8.4699 112.9144 59.4504 36.3006 173.9916 115 E 5.7770 8.4741 122.9961 54.0499 32.9935 175.6600 116 L 4.1947 9.0124 124.6781 55.6951 42.0198 177.3386 117 V 3.1583 7.4051 120.3158 61.4719 32.5000 172.6146 118 E 4.8358 8.5004 118.5429 57.3312 29.6536 176.0196 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 R 8.25 4.44 0.00 1.91 2.00 0.00 2.99 0.00 0.00 3.21 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.71 0.00 3 H 8.00 4.35 0.00 3.27 2.30 0.00 5.62 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 L 8.77 4.12 0.00 1.67 1.97 0.96 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 5 K 7.77 4.38 0.00 1.81 1.83 0.00 1.66 0.00 0.00 1.80 0.00 0.00 3.07 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.42 1.41 7.81 6 S 7.42 4.64 0.00 3.80 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 7 G 8.18 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 0.00 0.00 0.00 8 R 8.92 4.16 0.00 1.97 2.10 0.00 3.32 0.00 0.00 2.25 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.61 0.00 9 K 8.15 4.29 0.00 1.87 1.82 0.00 1.52 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.49 7.81 10 L 8.47 4.74 0.00 1.58 1.60 0.88 1.00 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 11 N 10.09 4.81 0.00 2.76 2.94 0.00 0.00 6.89 7.65 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 12 R 8.28 3.85 0.00 1.93 1.86 0.00 3.04 0.00 0.00 2.73 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 13 H 8.29 5.11 0.00 3.16 3.34 0.00 5.73 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 14 S 8.30 4.11 0.00 3.92 3.74 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 15 S 8.60 3.96 0.00 4.13 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 0.00 16 H 7.95 4.30 0.00 2.92 2.55 0.00 5.92 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 R 8.81 3.96 0.00 1.97 1.95 0.00 3.03 0.00 0.00 3.07 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 18 L 7.86 3.48 0.00 1.55 1.87 0.95 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 19 A 8.20 4.16 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 20 L 8.05 4.10 0.00 1.75 2.08 0.82 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 21 Y 7.91 3.90 0.00 2.45 1.43 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 22 R 7.89 4.46 0.00 1.94 2.21 0.00 3.19 0.00 0.00 3.58 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.86 0.00 23 N 8.69 4.37 0.00 2.87 2.86 0.00 0.00 6.82 7.48 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 24 Q 7.64 3.99 0.00 2.08 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.66 0.00 0.00 0.00 0.00 0.00 2.30 2.52 0.00 25 A 8.50 3.83 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 26 K 7.62 4.05 0.00 2.04 1.81 0.00 1.88 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.59 7.81 27 S 8.45 4.19 0.00 3.92 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 28 L 9.19 4.33 0.00 1.55 1.65 0.93 0.49 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 29 L 7.99 4.35 0.00 1.90 1.56 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 30 T 7.17 5.04 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 1.10 0.00 0.00 31 H 9.03 4.73 0.00 3.11 3.26 0.00 5.71 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 32 G 8.35 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 0.00 0.00 0.00 0.00 33 R 7.55 4.66 0.00 1.73 1.94 0.00 3.16 0.00 0.00 3.23 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 34 I 8.61 4.71 1.88 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.27 0.91 0.00 0.00 35 T 8.72 5.04 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 1.27 0.00 0.00 36 T 8.21 4.81 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 1.17 0.00 0.00 37 T 8.35 4.16 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 1.19 0.00 0.00 38 V 7.93 3.51 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 0.94 0.00 0.00 0.95 0.00 0.00 39 P 0.00 4.14 0.00 2.17 2.06 0.00 3.67 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 2.10 2.14 0.00 40 K 7.54 3.72 0.00 1.80 1.95 0.00 1.72 0.00 0.00 1.61 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.35 7.81 41 A 8.52 4.02 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 K 9.13 3.65 0.00 1.90 1.72 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.67 7.81 43 E 8.38 3.95 0.00 2.13 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 2.46 2.63 0.00 44 L 8.30 4.09 0.00 1.83 1.73 1.02 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 45 R 10.64 4.36 0.00 2.09 1.66 0.00 2.86 0.00 0.00 3.17 8.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.69 0.00 46 G 8.62 3.74 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 0.00 0.00 0.00 47 F 8.39 4.20 0.00 3.18 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 V 8.60 3.75 2.35 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 0.91 0.00 0.00 0.97 0.00 0.00 49 D 8.04 4.41 0.00 2.90 2.57 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 0.00 0.00 0.00 0.00 50 H 8.33 4.74 0.00 3.07 3.32 0.00 5.94 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 51 L 7.40 4.04 0.00 1.61 1.59 0.40 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 52 I 7.49 4.15 2.11 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 1.41 0.66 0.80 0.00 0.00 53 H 8.44 4.47 0.00 3.38 3.44 0.00 5.66 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 54 L 7.86 4.11 0.00 1.70 1.80 0.84 0.78 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 55 A 8.35 4.68 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 56 K 8.01 3.77 0.00 1.95 1.68 0.00 1.48 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.38 7.81 57 R 9.02 4.09 0.00 2.04 2.22 0.00 3.04 0.00 0.00 3.42 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.95 0.00 58 G 7.99 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 0.00 0.00 0.00 59 D 8.38 4.72 0.00 2.77 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 7.61 3.48 0.00 1.75 1.69 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 61 H 8.40 4.12 0.00 3.23 3.28 0.00 5.73 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 62 A 8.56 4.10 1.46 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 0.00 0.00 0.00 63 R 8.02 4.06 0.00 2.20 1.97 0.00 3.16 0.00 0.00 3.25 8.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 1.65 0.00 64 R 8.04 3.90 0.00 1.81 1.99 0.00 3.14 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.72 0.00 65 L 7.82 3.99 0.00 1.61 1.83 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 66 V 8.17 4.06 2.36 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 0.89 0.00 0.00 0.97 0.00 0.00 67 L 7.85 4.49 0.00 1.66 1.76 1.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 68 R 7.70 3.80 0.00 1.75 1.90 0.00 3.18 0.00 0.00 3.24 8.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.83 0.00 69 D 7.89 4.47 0.00 2.65 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 70 L 7.67 4.20 0.00 1.66 1.60 0.81 1.02 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 71 Q 8.57 4.21 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 72 D 7.70 4.81 0.00 2.69 2.57 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 0.00 0.00 0.00 0.00 73 V 8.48 3.64 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 0.97 0.00 0.00 0.94 0.00 0.00 74 K 7.70 4.66 0.00 1.74 1.73 0.00 1.76 0.00 0.00 1.64 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.48 7.81 75 L 7.11 4.41 0.00 1.55 1.66 0.95 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 76 V 7.78 3.61 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 0.81 0.00 0.00 0.70 0.00 0.00 77 R 7.82 3.90 0.00 1.87 2.02 0.00 3.33 0.00 0.00 3.31 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.60 0.00 78 K 7.98 4.06 0.00 1.70 1.78 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.43 7.81 79 L 8.32 4.50 0.00 1.62 1.42 0.19 0.92 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 80 F 8.57 4.54 0.00 3.06 2.96 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 81 D 8.02 4.95 0.00 2.70 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 82 E 7.49 4.82 0.00 2.02 1.82 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 2.21 2.33 0.00 83 I 7.54 3.84 1.91 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 1.34 0.76 1.18 0.00 0.00 84 A 7.74 4.15 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.25 0.00 1.97 2.10 0.00 3.85 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 2.01 2.12 0.00 86 R 6.92 3.60 0.00 1.08 0.96 0.00 3.09 0.00 0.00 3.04 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.64 0.00 87 Y 7.11 3.84 0.00 2.69 2.45 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 0.00 88 R 9.00 4.05 0.00 1.96 2.03 0.00 3.40 0.00 0.00 3.22 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 89 D 7.84 4.38 0.00 2.73 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 90 R 7.81 4.24 0.00 1.92 2.05 0.00 3.39 0.00 0.00 3.54 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.80 0.00 91 Q 8.34 4.57 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.42 0.00 0.00 0.00 0.00 0.00 2.38 2.60 0.00 92 G 9.13 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.96 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 94 Y 7.23 4.56 0.00 2.75 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 0.00 0.00 0.00 0.00 95 T 7.22 4.68 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 1.32 0.00 0.00 96 R 8.46 4.76 0.00 1.90 1.72 0.00 3.19 0.00 0.00 3.27 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 97 V 8.15 5.30 2.08 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 1.06 0.00 0.00 0.92 0.00 0.00 98 L 8.32 4.98 0.00 1.59 1.49 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 99 K 8.70 4.58 0.00 1.75 1.80 0.00 1.57 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.40 7.81 100 L 7.76 4.69 0.00 1.43 1.67 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 101 A 8.24 4.62 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 0.00 102 E 7.79 3.71 0.00 2.15 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 2.19 2.31 0.00 103 R 7.51 2.99 0.00 1.81 1.65 0.00 3.42 0.00 0.00 3.15 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 104 R 8.80 4.18 0.00 1.97 1.92 0.00 3.18 0.00 0.00 3.71 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.47 0.00 105 R 8.82 3.94 0.00 1.84 1.91 0.00 3.25 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 106 G 7.72 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 0.00 0.00 0.00 107 D 7.96 4.53 0.00 2.76 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 G 7.68 3.69 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 0.00 0.00 0.00 109 A 7.82 4.61 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 0.00 110 P 0.00 4.54 0.00 2.18 2.05 0.00 3.74 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 1.97 1.97 0.00 111 L 7.95 4.84 0.00 1.60 1.56 0.97 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 112 A 8.38 4.73 1.23 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 0.00 113 L 9.40 5.01 0.00 1.80 1.53 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.47 5.50 2.08 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 0.61 0.00 0.00 0.97 0.00 0.00 115 E 8.47 5.78 0.00 2.00 1.74 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 2.30 2.20 0.00 116 L 9.01 4.19 0.00 1.64 1.85 0.96 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 117 V 7.41 3.16 2.10 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 0.64 0.00 0.00 0.98 0.00 0.00 118 E 8.50 4.84 0.00 1.99 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 2.04 2.19 0.00