NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.8333 8.2048 120.4305 55.3055 33.4288 174.9563 2 L 4.1379 8.6447 126.0180 53.9837 42.6384 174.3486 3 N 5.1128 8.7329 120.2860 50.9787 43.3574 173.0829 4 V 3.8933 8.3667 120.0557 64.9041 31.6721 175.6291 5 G 4.0258 9.1887 114.9692 45.1458 0.0000 173.6819 6 A 4.4685 7.6523 121.0561 51.2700 20.4881 176.9073 7 T 4.4495 8.2788 116.6839 63.2497 69.3620 174.3887 8 A 3.9473 8.6116 129.1919 50.6383 19.1091 175.7331 9 P 4.0125 0.0000 0.0000 63.0616 31.8419 175.9637 10 D 4.6971 8.5195 122.7494 54.5611 42.3746 174.7063 11 F 4.9680 7.6631 114.7558 56.5389 41.0603 172.9723 12 T 5.2484 8.7911 115.9458 62.2017 71.5084 173.2757 13 L 5.0458 9.3234 126.0790 52.6848 46.6542 176.1687 14 R 4.7600 8.5762 120.2482 56.2339 31.6027 176.7767 15 D 5.8384 9.1686 123.6117 51.1572 41.5549 176.9590 16 Q 4.0963 8.6640 116.1378 58.7966 28.4558 176.7439 17 N 4.7206 8.2754 114.4376 52.7270 38.7846 174.5007 18 Q 3.6518 8.3257 117.5912 57.0099 28.1898 173.2805 19 Q 4.4802 8.8313 115.2106 54.8521 30.5284 174.8894 20 L 4.8274 8.3800 121.6843 54.1343 43.0603 176.3181 21 V 4.5145 9.2612 123.5038 61.3750 34.2663 174.0910 22 T 4.9784 8.3345 123.7197 61.6160 70.9689 175.0681 23 L 3.8453 8.0244 128.3465 58.0696 42.0773 179.4886 24 R 4.0862 7.9801 115.8186 58.8981 29.0184 178.7317 25 G 3.5924 7.5569 104.9782 46.9564 0.0000 174.2883 26 Y 4.2780 8.0808 118.1672 58.1034 38.8219 175.7941 27 R 4.1653 7.3160 119.6145 57.8616 30.6960 177.6082 28 G 3.9773 9.1842 108.5553 46.0916 0.0000 173.6142 29 A 4.5389 7.9326 118.9113 52.9752 21.0877 176.5190 30 K 4.9794 7.9211 111.9670 54.7087 36.4660 175.7820 31 N 4.8723 8.9945 119.8599 52.7579 40.3864 174.3776 32 V 4.4715 8.8629 123.0448 60.9452 34.5338 173.8193 33 L 4.7875 8.9349 130.5386 53.7987 43.7644 174.8110 34 L 4.7427 9.1851 127.6616 53.1582 43.8871 175.7591 35 V 4.2920 8.4710 125.4706 60.9816 32.8578 174.5121 36 F 4.9974 9.1209 127.2679 57.0810 39.8705 175.4288 37 F 4.8568 8.7785 116.1006 55.0664 40.4855 172.1131 38 P 4.4068 0.0000 0.0000 64.4533 31.7533 176.0153 39 L 4.6224 7.4534 118.1993 53.0315 45.9730 176.1003 40 A 2.5800 8.1543 124.4916 52.6933 18.7513 177.3278 41 F 3.8773 5.6962 116.4582 58.6227 36.5203 175.7616 42 T 4.8534 7.2671 110.8759 59.4647 72.4782 174.9269 43 G 3.6951 8.5523 108.6478 48.3703 0.0000 176.0936 44 I 3.8219 7.7624 122.5496 63.9750 37.1828 178.1588 45 C 4.2000 7.6822 114.3539 62.8409 27.9701 175.8750 46 Q 4.4517 8.5153 121.2383 59.4782 28.6986 178.7035 47 G 3.7451 8.2910 106.5826 47.9262 0.0000 175.5247 48 E 3.9783 8.4659 120.9309 59.1800 29.5019 179.3102 49 L 3.8602 8.0882 118.7658 57.1863 41.5865 179.1957 50 D 4.5552 8.5733 119.8826 57.3902 40.5180 178.4468 51 Q 4.0881 7.7279 118.9044 58.8515 29.1766 177.6615 52 L 4.0131 7.6638 121.3260 57.7566 41.9103 178.7896 53 R 4.1354 8.2092 119.0531 59.8259 29.9575 178.3409 54 D 4.5309 8.5600 116.8983 56.4176 40.9030 176.7646 55 H 5.0236 7.7854 116.6577 55.1038 29.9398 175.2757 56 L 4.1150 7.9833 125.0468 58.0682 41.8856 177.6811 57 P 4.3476 0.0000 0.0000 65.1344 31.4327 177.3503 58 E 3.9089 8.0520 117.2318 58.1055 29.4639 177.6105 59 F 4.6652 7.7406 115.5007 57.4882 40.4405 175.0984 60 E 4.8256 8.4714 119.9632 54.8110 29.6583 174.2685 61 N 4.8335 8.7582 123.4363 52.2707 39.5998 174.8435 62 D 4.5549 8.8891 116.3263 57.4005 41.2162 176.8446 63 D 4.8243 7.8969 114.5516 54.3990 42.5353 175.9634 64 S 5.3988 8.8615 114.4327 56.6498 67.4594 173.0298 65 A 5.0831 8.7537 122.1815 50.3016 22.7260 174.9673 66 A 5.0306 8.5347 121.0243 50.0458 22.3841 175.6926 67 L 4.7170 8.7711 120.7670 52.9505 45.8792 175.4522 68 A 4.9414 8.8081 126.3571 50.9334 20.8914 175.9318 69 I 4.8170 8.7317 122.5930 59.5488 40.9483 174.6791 70 S 4.5601 8.5079 119.7204 56.8096 66.0536 174.9839 71 V 4.0171 8.4043 114.9949 62.2643 31.3303 177.1735 72 G 3.7672 7.6715 110.1738 44.3886 0.0000 171.6925 73 P 4.1591 0.0000 0.0000 60.9507 33.6569 175.4080 74 P 4.2474 0.0000 0.0000 65.6910 31.3563 177.0534 75 P 4.1804 0.0000 0.0000 65.8598 31.1531 178.8880 76 T 4.0664 7.7214 114.0555 67.1060 68.5220 176.5239 77 H 4.5810 8.0940 117.7145 58.5704 28.6547 177.8897 78 K 3.9768 8.9151 122.0533 59.7266 32.0513 179.0212 79 I 3.8593 7.8141 119.8569 64.1419 37.0167 178.3245 80 W 4.3771 8.5737 129.1428 60.2687 30.4392 177.9378 81 A 3.6857 8.5427 121.1911 55.4734 17.7882 179.7280 82 T 3.7210 8.2597 114.5899 66.8951 68.3579 176.6744 83 Q 4.0290 8.2068 117.9074 57.4419 29.0009 177.4085 84 S 4.2343 7.1619 114.3588 56.8908 63.4519 174.3514 85 G 3.6919 7.0187 109.0728 46.2218 0.0000 173.5920 86 F 4.4884 7.4687 119.1420 56.8672 39.2093 175.9079 87 T 4.3543 8.3761 114.2710 61.0941 69.4556 173.9687 88 F 4.8493 6.8582 117.5205 55.1201 39.9291 173.0365 89 P 4.7237 0.0000 0.0000 62.3716 32.7324 175.5884 90 L 5.1577 9.2647 124.1993 53.0902 44.2835 175.3748 91 L 5.1368 9.1785 124.4827 53.1996 44.4796 175.9481 92 S 5.1153 8.7659 119.4467 56.1202 63.8395 174.7448 93 D 4.7677 8.5840 130.1724 53.7931 39.6725 177.8979 94 F 4.3250 8.2856 123.3140 60.3131 40.3155 174.6120 95 W 5.0782 7.9830 130.7903 55.5902 31.6004 171.8828 96 P 3.3750 0.0000 0.0000 62.7385 31.1743 175.4364 97 H 4.4802 7.9665 121.5682 56.5675 29.4746 174.5222 98 G 3.5008 9.2974 116.6240 46.7477 0.0000 174.7763 99 A 3.7561 7.5309 124.1630 54.7335 18.2388 180.6822 100 V 3.6556 8.3051 116.8546 65.9979 31.3554 178.1131 101 S 3.8127 8.8122 113.4200 61.5564 62.2221 176.2897 102 Q 4.0039 8.0954 120.4605 58.9110 28.2026 178.6083 103 A 4.0175 7.9395 120.7625 54.6957 18.7311 178.2656 104 Y 4.0748 8.0248 113.7002 57.2360 37.6011 176.5775 105 G 3.8095 8.1050 108.5854 46.6464 0.0000 174.8926 106 V 4.3831 7.8834 111.0208 60.6012 33.3470 174.5428 107 F 5.0701 8.2515 123.1373 56.3244 40.6135 174.7082 108 N 4.3318 8.6824 126.2140 52.5641 38.6489 175.1160 109 E 3.7884 8.6471 128.4736 59.2501 30.2429 178.2975 110 Q 4.0162 7.9933 116.4687 58.8522 28.9390 177.2636 111 A 4.0168 7.7504 118.5145 52.8274 18.8528 177.8895 112 G 3.8535 8.0789 103.6337 46.0545 0.0000 173.0515 113 I 4.9533 6.8028 110.8598 58.5523 41.6992 173.7835 114 A 4.8058 8.5361 124.2693 51.8338 20.0406 177.5275 115 N 4.6616 8.8169 119.3860 52.3427 40.4913 176.3017 116 R 4.5919 8.5683 118.6142 55.6849 28.1963 176.4238 117 G 4.1783 7.9404 108.6364 45.6648 0.0000 171.4171 118 T 5.2013 8.3923 118.9484 61.7426 73.0565 173.0891 119 F 6.0630 9.1060 122.5523 55.1629 44.3634 173.5694 120 V 4.8146 8.7771 120.4254 61.2882 34.3530 174.0679 121 V 4.9153 9.0365 128.7421 61.2522 33.8547 175.6762 122 D 5.2492 8.8053 127.4029 51.7119 41.2161 177.1073 123 R 4.0828 8.5395 116.5918 58.8535 30.0527 178.5952 124 S 4.4390 8.5495 113.0583 58.8661 63.4213 175.1862 125 G 3.9505 8.5350 109.4700 45.2759 0.0000 172.8306 126 I 4.6272 7.6124 120.1187 59.5756 38.8064 174.8781 127 I 4.4740 8.8806 126.0609 61.7410 37.4722 176.6426 128 R 4.7093 9.3262 125.5540 56.0711 32.0820 175.9991 129 F 5.0250 8.1396 121.1384 56.6924 43.0876 172.7717 130 A 4.7652 7.4764 126.4643 50.4873 22.0663 174.8969 131 E 4.4479 8.1420 118.6535 55.6062 33.6525 174.4281 132 M 4.9014 8.2850 120.8725 54.9818 34.5696 173.9193 133 K 4.7423 8.9070 126.1520 54.7013 35.6024 176.4262 134 Q 4.6144 9.2192 121.4213 54.4017 29.5773 175.7690 135 P 4.2668 0.0000 0.0000 65.7416 31.1072 177.4818 136 G 3.8377 8.0421 105.1482 45.8130 0.0000 172.8278 137 E 4.6919 7.9427 119.2975 54.6222 31.8769 175.4684 138 V 4.5280 7.9348 112.3759 59.7454 34.7796 176.1243 139 R 4.3215 8.7702 122.4229 55.2833 31.4790 176.2018 140 D 4.4757 8.1532 119.6030 52.9464 40.9166 177.0961 141 Q 2.5200 7.7639 126.6028 57.4535 28.6166 178.4770 142 R 3.9885 7.6244 120.5895 58.4522 30.0009 178.8322 143 L 4.0185 7.7684 119.0634 57.2165 41.5031 179.5581 144 W 3.8499 7.7343 118.8684 59.8803 28.8227 178.4301 145 T 3.8403 8.0524 109.7960 64.8951 68.1111 176.0909 146 D 4.3100 8.2243 121.5001 57.0095 40.6636 178.6333 147 A 3.9915 7.6134 119.7241 55.2549 18.6379 179.3875 148 L 4.0752 8.1431 117.3678 57.8615 41.5283 179.6473 149 A 4.0038 8.3963 120.9270 54.8942 18.1188 179.0655 150 A 4.1573 7.8834 117.2488 53.7388 18.6196 178.4916 151 L 4.5245 7.3467 115.4211 55.7761 42.6882 177.3408 152 T 4.0738 7.7908 116.6017 64.5536 69.1713 174.5150 153 A 4.2074 7.4751 130.4967 52.7014 19.2890 175.8762 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 M 8.20 4.83 0.00 2.08 2.07 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.60 0.00 2 L 8.64 4.14 0.00 1.57 1.56 0.46 0.56 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 3 N 8.73 5.11 0.00 2.75 2.67 0.00 0.00 6.75 7.71 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 4 V 8.37 3.89 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 0.92 0.00 0.00 1.00 0.00 0.00 5 G 9.19 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 6 A 7.65 4.47 1.22 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 0.00 0.00 7 T 8.28 4.45 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 1.22 0.00 0.00 8 A 8.61 3.95 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 9 P 0.00 4.01 0.00 1.71 1.88 0.00 2.20 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.74 0.00 10 D 8.52 4.70 0.00 2.65 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 11 F 7.66 4.97 0.00 3.15 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 12 T 8.79 5.25 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 1.27 0.00 0.00 13 L 9.32 5.05 0.00 1.62 1.54 0.49 0.86 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 14 R 8.58 4.76 0.00 1.79 1.89 0.00 3.32 0.00 0.00 3.52 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.64 0.00 15 D 9.17 5.84 0.00 2.94 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 16 Q 8.66 4.10 0.00 2.33 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 7.32 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 17 N 8.28 4.72 0.00 2.74 2.87 0.00 0.00 6.90 7.69 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 18 Q 8.33 3.65 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.35 6.87 0.00 0.00 0.00 0.00 0.00 2.27 2.38 0.00 19 Q 8.83 4.48 0.00 2.10 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.13 6.71 0.00 0.00 0.00 0.00 0.00 2.54 2.51 0.00 20 L 8.38 4.83 0.00 1.54 1.64 0.96 0.85 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 21 V 9.26 4.51 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 1.30 0.00 0.00 1.03 0.00 0.00 22 T 8.33 4.98 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 1.23 0.00 0.00 23 L 8.02 3.85 0.00 0.27 1.20 0.82 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 24 R 7.98 4.09 0.00 2.01 2.27 0.00 2.80 0.00 0.00 3.32 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 25 G 7.56 3.59 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 0.00 0.00 0.00 26 Y 8.08 4.28 0.00 3.19 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 27 R 7.32 4.17 0.00 1.98 1.89 0.00 3.30 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 28 G 9.18 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 29 A 7.93 4.54 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 30 K 7.92 4.98 0.00 1.80 1.84 0.00 1.88 0.00 0.00 1.84 0.00 0.00 2.94 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.56 1.51 7.81 31 N 8.99 4.87 0.00 2.66 2.74 0.00 0.00 6.71 7.72 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 32 V 8.86 4.47 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 0.63 0.00 0.00 0.62 0.00 0.00 33 L 8.93 4.79 0.00 1.70 1.37 0.50 0.06 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 34 L 9.19 4.74 0.00 1.75 1.37 0.92 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 35 V 8.47 4.29 1.81 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 0.92 0.00 0.00 0.06 0.00 0.00 36 F 9.12 5.00 0.00 3.14 2.99 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 37 F 8.78 4.86 0.00 3.05 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 38 P 0.00 4.41 0.00 2.17 2.13 0.00 3.97 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.35 0.00 39 L 7.45 4.62 0.00 1.58 1.50 0.95 0.80 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 40 A 8.15 2.58 0.20 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 41 F 5.70 3.88 0.00 3.08 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 42 T 7.27 4.85 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 1.24 0.00 0.00 43 G 8.55 3.70 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 0.00 0.00 0.00 44 I 7.76 3.82 1.94 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 1.68 0.60 1.01 0.00 0.00 45 C 7.68 4.20 0.00 3.16 3.16 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 46 Q 8.52 4.45 0.00 2.68 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.53 2.73 0.00 47 G 8.29 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 48 E 8.47 3.98 0.00 2.05 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 2.34 2.66 0.00 49 L 8.09 3.86 0.00 1.14 0.56 0.08 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 50 D 8.57 4.56 0.00 2.96 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 51 Q 7.73 4.09 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.97 0.00 0.00 0.00 0.00 0.00 2.44 2.39 0.00 52 L 7.66 4.01 0.00 1.73 1.40 -0.09 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 53 R 8.21 4.14 0.00 2.36 2.25 0.00 3.26 0.00 0.00 3.45 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.01 0.00 54 D 8.56 4.53 0.00 2.39 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 55 H 7.79 5.02 0.00 3.34 3.52 0.00 5.65 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 7.98 4.11 0.00 1.95 1.80 0.99 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 57 P 0.00 4.35 0.00 2.06 2.10 0.00 3.77 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 2.04 2.13 0.00 58 E 8.05 3.91 0.00 1.16 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 0.00 2.12 2.15 0.00 59 F 7.74 4.67 0.00 2.99 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 60 E 8.47 4.83 0.00 1.97 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 0.00 2.29 2.27 0.00 61 N 8.76 4.83 0.00 2.89 3.03 0.00 0.00 6.74 8.00 0.00 0.00 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 D 8.89 4.55 0.00 2.70 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 63 D 7.90 4.82 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 64 S 8.86 5.40 0.00 3.79 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 65 A 8.75 5.08 1.03 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 66 A 8.53 5.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 L 8.77 4.72 0.00 1.44 1.51 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 68 A 8.81 4.94 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 69 I 8.73 4.82 0.72 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.18 0.54 0.00 0.00 70 S 8.51 4.56 0.00 2.72 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 71 V 8.40 4.02 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 0.85 0.00 0.00 1.03 0.00 0.00 72 G 7.67 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 73 P 0.00 4.16 0.00 1.67 0.49 0.00 3.61 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 1.82 1.70 0.00 74 P 0.00 4.25 0.00 2.23 2.33 0.00 3.41 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 2.19 2.20 0.00 75 P 0.00 4.18 0.00 2.10 2.09 0.00 3.36 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.14 0.00 76 T 7.72 4.07 4.33 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 1.37 0.00 0.00 77 H 8.09 4.58 0.00 3.42 3.47 0.00 5.64 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 78 K 8.92 3.98 0.00 2.14 2.00 0.00 1.55 0.00 0.00 1.81 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.56 7.81 79 I 7.81 3.86 2.16 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 1.74 0.86 1.08 0.00 0.00 80 W 8.57 4.38 0.00 2.83 3.15 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 0.00 81 A 8.54 3.69 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 82 T 8.26 3.72 4.41 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 1.19 0.00 0.00 83 Q 8.21 4.03 0.00 2.10 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.72 0.00 0.00 0.00 0.00 0.00 2.43 2.76 0.00 84 S 7.16 4.23 0.00 2.72 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 85 G 7.02 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 86 F 7.47 4.49 0.00 2.53 1.62 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 87 T 8.38 4.35 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 1.26 0.00 0.00 88 F 6.86 4.85 0.00 3.13 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 89 P 0.00 4.72 0.00 2.20 2.09 0.00 3.91 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.21 0.00 90 L 9.26 5.16 0.00 1.76 1.49 0.62 0.96 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 91 L 9.18 5.14 0.00 1.41 1.53 1.06 0.78 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 92 S 8.77 5.12 0.00 3.80 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 93 D 8.58 4.77 0.00 2.73 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 94 F 8.29 4.32 0.00 3.28 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 95 W 7.98 5.08 0.00 2.91 3.02 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 96 P 0.00 3.38 0.00 1.99 1.62 0.00 3.54 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.69 0.00 97 H 7.97 4.48 0.00 3.26 3.23 0.00 5.66 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 9.30 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 99 A 7.53 3.76 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 0.00 100 V 8.31 3.66 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 0.93 0.00 0.00 0.89 0.00 0.00 101 S 8.81 3.81 0.00 4.02 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 0.00 102 Q 8.10 4.00 0.00 2.14 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.39 1.80 0.00 103 A 7.94 4.02 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 0.00 104 Y 8.02 4.07 0.00 2.60 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 0.00 105 G 8.10 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 0.00 106 V 7.88 4.38 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 0.78 0.00 0.00 0.39 0.00 0.00 107 F 8.25 5.07 0.00 2.85 2.98 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 0.00 108 N 8.68 4.33 0.00 2.85 2.58 0.00 0.00 6.43 7.51 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 0.00 109 E 8.65 3.79 0.00 1.98 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 2.29 2.39 0.00 110 Q 7.99 4.02 0.00 1.99 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.89 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 111 A 7.75 4.02 1.19 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 0.00 0.00 112 G 8.08 3.85 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 0.00 0.00 0.00 113 I 6.80 4.95 1.89 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 1.19 1.10 0.94 0.00 0.00 114 A 8.54 4.81 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.82 4.66 0.00 2.60 3.07 0.00 0.00 7.01 7.20 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 0.00 116 R 8.57 4.59 0.00 1.90 2.01 0.00 3.41 0.00 0.00 3.52 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.70 0.00 117 G 7.94 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 0.00 0.00 0.00 0.00 118 T 8.39 5.20 4.33 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 0.25 0.00 0.00 119 F 9.11 6.06 0.00 3.03 3.04 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 0.00 120 V 8.78 4.81 2.28 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 1.11 0.00 0.00 0.92 0.00 0.00 121 V 9.04 4.92 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 0.96 0.00 0.00 1.08 0.00 0.00 122 D 8.81 5.25 0.00 2.97 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 0.00 123 R 8.54 4.08 0.00 1.92 2.05 0.00 3.14 0.00 0.00 3.36 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.86 0.00 124 S 8.55 4.44 0.00 4.03 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 0.00 125 G 8.53 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 0.00 126 I 7.61 4.63 2.09 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 1.43 0.99 0.94 0.00 0.00 127 I 8.88 4.47 2.02 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.80 1.23 0.00 0.00 128 R 9.33 4.71 0.00 1.74 2.03 0.00 3.37 0.00 0.00 3.20 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.74 0.00 129 F 8.14 5.03 0.00 3.16 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 0.00 130 A 7.48 4.77 1.18 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 0.00 0.00 131 E 8.14 4.45 0.00 1.89 1.54 0.00 0.00 0.00 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 2.26 0.00 132 M 8.28 4.90 0.00 1.95 1.86 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.56 0.00 133 K 8.91 4.74 0.00 1.79 1.81 0.00 1.84 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.45 7.81 134 Q 9.22 4.61 0.00 2.33 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.76 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 135 P 0.00 4.27 0.00 2.20 2.23 0.00 3.76 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 136 G 8.04 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 0.00 0.00 0.00 137 E 7.94 4.69 0.00 2.10 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 2.27 2.27 0.00 138 V 7.93 4.53 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 0.77 0.00 0.00 0.92 0.00 0.00 139 R 8.77 4.32 0.00 2.01 2.01 0.00 3.83 0.00 0.00 3.55 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.70 0.00 140 D 8.15 4.48 0.00 2.61 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 0.00 141 Q 7.76 2.52 0.00 1.67 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.67 0.00 0.00 0.00 0.00 0.00 1.16 1.34 0.00 142 R 7.62 3.99 0.00 1.91 1.91 0.00 3.08 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.41 0.00 143 L 7.77 4.02 0.00 1.93 1.83 1.10 1.01 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 0.00 144 W 7.73 3.85 0.00 3.63 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 0.00 145 T 8.05 3.84 4.11 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 1.01 0.00 0.00 146 D 8.22 4.31 0.00 2.94 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 0.00 147 A 7.61 3.99 1.17 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 0.00 0.00 148 L 8.14 4.08 0.00 1.84 1.72 1.10 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 149 A 8.40 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 0.00 150 A 7.88 4.16 1.39 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 0.00 151 L 7.35 4.52 0.00 1.74 1.73 0.97 1.28 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 0.00 152 T 7.79 4.07 4.34 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 1.25 0.00 0.00 153 A 7.48 4.21 1.18 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 0.00 0.00