NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 M 4.5330 8.3044 120.2870 55.3034 33.8544 173.9230 3 V 4.2116 8.0745 121.6617 59.9352 33.7048 172.9058 4 W 4.6185 9.1443 135.0000 57.4815 31.6335 174.8409 5 T 4.1782 8.2292 124.0683 61.4179 67.0414 172.5997 6 P 4.5211 0.0000 0.0000 63.1867 32.2353 175.6050 7 V 4.0826 7.4166 119.6164 62.5029 33.0253 175.2667 8 N 4.2086 8.6777 125.0840 54.9600 35.9465 173.7222 9 N 4.8684 7.6049 108.4928 52.9965 40.1953 174.1437 10 K 4.0701 8.3812 116.1075 56.4118 32.6915 176.5711 11 M 4.9382 8.2501 120.9982 53.9528 35.0975 175.3942 12 F 4.6993 8.0273 116.2875 57.2060 41.1811 176.6436 13 E 3.5099 8.3964 122.0801 57.2465 27.7025 175.7288 14 T 3.8766 8.3277 123.0738 66.3244 68.8858 174.2990 15 F 4.5413 9.0264 124.1689 57.5268 36.6785 176.6318 16 S 4.3913 8.2145 115.2372 60.8512 62.8746 174.6433 17 Y 4.3964 8.3309 116.8262 58.0989 38.0853 174.9168 18 L 4.7262 7.5789 120.1358 51.9949 43.8545 174.4604 19 P 4.4170 0.0000 0.0000 61.9450 31.7642 174.9759 20 P 4.2735 0.0000 0.0000 62.8814 31.7364 176.4004 21 L 3.9890 8.3382 122.9607 54.6046 42.1128 177.9259 22 T 4.1907 8.2144 114.2667 61.2125 70.9969 175.0715 23 D 4.3458 8.5825 120.9306 57.6293 40.7676 178.8345 24 E 3.9185 8.0760 119.2101 59.3469 29.7184 178.7771 25 Q 3.9239 7.8888 117.8555 58.8571 28.7398 178.6832 26 I 3.7215 8.0655 120.9381 64.3856 37.1590 178.1618 27 A 4.0388 8.2629 121.4677 55.3461 18.2223 179.5921 28 A 3.9858 8.1589 119.0989 55.3680 18.4142 179.9253 29 Q 4.1613 8.2124 116.7532 59.1148 28.8109 179.0974 30 V 3.7495 8.2184 119.4228 66.1445 31.5118 177.7231 31 D 4.4386 8.4357 118.7803 57.5825 40.5067 178.2721 32 Y 4.1683 8.0988 119.8440 60.6366 38.8216 177.8288 33 I 3.8458 7.9642 120.8263 64.6840 37.3371 178.5870 34 V 3.5237 7.8755 118.5016 65.9460 31.1649 177.8426 35 A 3.9428 8.0939 119.8081 54.5601 18.2508 178.3255 36 N 4.1564 7.0943 112.2787 51.9567 38.7684 175.5837 37 G 3.7631 7.2507 108.2126 46.1616 0.0000 174.1390 38 W 4.9569 7.4873 119.0003 56.0356 30.7319 176.2760 39 I 4.5021 8.7387 122.9069 59.1826 37.9600 174.0042 40 P 4.8754 0.0000 0.0000 63.1770 32.9247 174.8423 41 C 5.0216 8.9542 120.3893 58.4373 35.5946 172.3754 42 L 5.3431 8.7381 123.4085 53.2395 44.4718 175.2289 43 E 5.6000 9.2194 120.8826 54.9987 34.2495 174.4759 44 F 5.6060 9.0922 116.0625 56.0507 42.1668 172.9085 45 A 4.4576 8.3070 119.6663 50.2641 22.5713 176.3164 46 E 4.2804 8.5931 118.8186 55.7330 30.7034 177.7046 47 A 4.2787 8.8330 122.8811 55.8516 18.4184 179.7217 48 D 4.5721 8.1415 113.1637 56.2960 41.0315 177.1261 49 K 4.6175 7.9696 117.2825 56.0090 32.7639 176.7519 50 A 3.8949 7.6614 124.4044 53.7202 18.9397 178.2178 51 Y 4.7956 7.4092 111.2072 55.6618 40.4634 176.0239 52 V 3.9711 8.3403 115.9937 62.3297 32.1999 175.6085 53 S 4.7716 8.9472 116.6664 56.6611 66.3721 173.8640 54 N 5.1482 8.5527 114.4274 52.6567 39.1677 176.1474 55 E 3.9501 8.2531 121.0218 59.8646 29.4439 179.1851 56 S 4.0694 8.8602 115.4270 60.4834 62.8693 175.9990 57 A 2.5800 7.6752 123.3793 53.5025 17.7270 179.0448 58 I 3.5687 7.0088 116.5681 63.7055 38.0446 177.1274 59 R 4.2650 7.5757 116.3743 55.7361 30.4986 176.2242 60 F 5.0772 7.1682 118.0657 55.8322 41.2717 177.5209 61 G 3.9627 8.2291 114.7306 46.1133 0.0000 174.8088 62 S 4.5977 8.4243 113.4106 58.5534 61.9804 174.4405 63 V 4.4442 7.2079 107.2103 61.1149 33.1745 177.8606 64 S 4.4710 8.2320 115.9722 60.0604 63.5201 173.6216 65 C 3.9961 8.1728 118.6895 61.7263 27.9887 173.1844 66 L 3.6236 8.4128 123.2514 55.5996 39.1104 173.2043 67 Y 4.3891 7.7741 119.1451 55.9980 39.9608 174.4702 68 Y 4.8267 7.1889 123.2103 56.2922 42.3725 174.6699 69 D 4.5189 8.8938 123.0251 55.2687 41.8056 177.0494 70 N 4.6035 8.9006 116.6688 54.1731 35.9612 176.0630 71 R 3.9553 7.9799 118.6300 59.3475 30.3561 177.1646 72 Y 4.3778 7.6755 114.7181 58.0421 38.3187 175.4590 73 W 5.0589 8.6973 124.8066 55.6131 32.4826 174.5605 74 T 4.4124 8.0974 116.9969 62.3493 69.8162 174.4957 75 M 4.6222 8.5576 126.5137 55.3768 33.1658 175.1760 76 W 4.7764 9.4289 135.0000 56.2292 31.3679 176.7967 77 K 3.4182 8.5402 128.5725 57.5769 30.6624 178.0032 78 L 4.9261 8.2614 125.0562 52.6671 45.1397 174.0096 79 P 4.3637 0.0000 0.0000 63.4747 32.2656 177.4349 80 M 4.2967 8.5279 122.9574 53.7238 30.4793 176.0093 81 F 4.4905 7.2876 118.1406 58.9454 40.0099 176.6372 82 G 3.9934 9.1370 113.0113 45.4669 0.0000 172.9613 83 C 4.2866 7.9602 120.9761 59.6150 31.7158 173.1528 84 R 4.5302 8.6536 124.4066 55.5802 31.2439 174.6581 85 D 4.8170 7.8101 118.8115 51.3724 42.2607 174.4964 86 P 4.3456 0.0000 0.0000 66.3157 31.1167 178.1862 87 M 4.1259 8.1757 118.0373 58.0703 31.7684 178.4342 88 Q 3.9866 8.0569 119.6957 58.9989 29.2304 178.3832 89 V 3.5956 7.7669 118.7740 66.1390 31.6694 177.8458 90 L 4.0307 7.9120 118.6335 57.9078 41.3958 179.7420 91 R 3.9714 8.2060 118.0338 59.3478 29.9549 179.0096 92 E 4.1135 8.3378 118.4515 59.1651 29.4394 179.2947 93 I 3.5181 7.8502 120.0748 64.3781 37.2218 178.4936 94 V 3.4870 7.7181 118.6549 65.9499 31.3302 177.9326 95 A 3.9465 8.0860 120.5358 55.1098 18.2617 179.1478 96 C 2.0000 7.6912 117.7262 62.1219 31.0144 176.0493 97 T 3.7667 7.5000 111.1850 64.3111 68.0560 176.4940 98 K 3.8228 7.7115 121.8146 59.3224 32.3069 178.4267 99 A 3.9639 7.5539 119.9915 53.5167 19.8257 177.6576 100 F 4.6955 7.7285 115.3832 55.2641 39.0677 173.9837 101 P 4.5018 0.0000 0.0000 63.8605 31.9947 177.7049 102 D 4.6603 8.0373 116.9921 53.9872 41.4640 175.5320 103 A 4.7603 7.3676 121.0149 50.5048 21.1452 176.9836 104 Y 4.2047 8.5789 117.7831 57.9041 39.4797 175.3054 105 V 5.2483 8.8957 122.7191 61.2198 35.3818 174.2257 106 R 4.9980 9.5509 123.8691 54.2648 33.0243 173.8096 107 L 4.8102 8.1318 123.6421 54.0131 43.7247 175.7157 108 V 4.8114 8.7531 118.3849 59.5419 36.4452 174.1381 109 A 4.8416 8.0490 121.4310 50.4928 22.8830 175.1722 110 F 5.2126 8.9796 119.0204 55.7113 42.6527 174.1843 111 D 5.3294 8.8756 122.7834 52.7004 42.3640 176.6233 112 N 4.7248 9.1661 123.2031 54.4033 38.3757 176.4353 113 Q 4.1906 8.7251 118.8452 58.9663 29.0117 177.7268 114 K 4.0050 8.3558 115.0656 57.2559 32.9037 176.6487 115 Q 3.4532 8.0440 118.4092 55.9234 26.9582 172.4976 116 V 4.5081 7.7463 117.2993 60.0921 35.0239 174.0830 117 Q 4.3064 8.7455 123.2852 56.3907 29.2713 175.7457 118 I 4.3074 8.0982 117.9628 60.8575 39.1589 174.7634 119 M 4.6186 6.7115 119.2503 54.2797 34.4710 173.7177 120 G 4.3046 8.2709 106.1454 46.1660 0.0000 172.3311 121 F 5.0431 7.5886 117.0341 55.3043 41.7330 172.9747 122 L 4.6198 8.7902 122.5353 55.4584 42.0706 176.7395 123 V 4.5524 9.0070 117.9754 61.4292 34.2057 175.6453 124 Q 4.6323 7.8563 121.0913 54.3630 32.4625 173.3675 125 R 4.3278 8.1037 120.9417 53.1136 32.9128 173.5139 126 P 4.2142 0.0000 0.0000 62.3609 31.9190 178.0777 127 K 4.0445 8.4587 121.1186 59.4944 32.1418 178.1689 128 T 4.0620 7.8050 111.2137 63.1094 67.6957 174.3843 129 A 4.3177 7.6852 124.7747 53.1764 18.7357 177.3011 130 R 4.6066 8.7699 119.9511 55.8772 31.7560 175.3970 131 D 4.9560 8.5073 116.4016 52.7610 39.6849 175.3347 132 F 5.4189 7.5408 112.3298 54.5656 41.1479 173.4652 133 Q 4.4716 8.3633 119.6496 52.9701 31.3475 174.2424 134 P 4.5013 0.0000 0.0000 62.3204 32.3482 176.9446 135 A 3.9637 8.9060 122.8762 55.6576 18.1039 179.3740 136 N 4.6325 8.0890 109.2561 54.0778 37.7132 175.4796 137 K 4.4557 7.8644 117.7653 56.3314 33.0160 177.3502 138 R 3.5722 7.7037 121.3986 57.8116 30.1025 176.6704 139 S 5.0883 7.4693 110.0584 56.3523 66.0879 174.2398 140 V 3.9937 8.5679 114.3152 61.7744 32.3079 175.6029 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 M 8.30 4.53 0.00 1.99 2.17 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.59 0.00 3 V 8.07 4.21 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 1.08 0.00 0.00 0.97 0.00 0.00 4 W 9.14 4.62 0.00 3.49 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 5 T 8.23 4.18 4.08 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 1.06 0.00 0.00 6 P 0.00 4.52 0.00 2.23 2.19 0.00 3.77 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 1.95 1.96 0.00 7 V 7.42 4.08 2.03 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 0.77 0.00 0.00 0.91 0.00 0.00 8 N 8.68 4.21 0.00 2.96 2.86 0.00 0.00 6.52 6.92 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 9 N 7.60 4.87 0.00 2.64 2.67 0.00 0.00 7.30 6.68 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 10 K 8.38 4.07 0.00 1.95 1.54 0.00 1.25 0.00 0.00 0.61 0.00 0.00 2.50 0.00 0.00 2.46 0.00 0.00 0.00 0.00 1.08 1.20 7.81 11 M 8.25 4.94 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.64 0.00 12 F 8.03 4.70 0.00 3.12 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.40 3.51 0.00 2.14 1.70 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 2.23 2.15 0.00 14 T 8.33 3.88 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.00 0.00 15 F 9.03 4.54 0.00 3.28 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 16 S 8.21 4.39 0.00 4.10 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 0.00 17 Y 8.33 4.40 0.00 3.02 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 18 L 7.58 4.73 0.00 1.84 1.59 0.84 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.42 0.00 2.02 2.00 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.13 0.00 20 P 0.00 4.27 0.00 2.04 2.02 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.17 0.00 21 L 8.34 3.99 0.00 1.57 1.46 0.53 0.38 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 22 T 8.21 4.19 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 1.18 0.00 0.00 23 D 8.58 4.35 0.00 2.70 2.77 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 24 E 8.08 3.92 0.00 2.02 1.92 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 2.35 2.39 0.00 25 Q 7.89 3.92 0.00 2.30 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 26 I 8.07 3.72 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 1.64 0.83 1.10 0.00 0.00 27 A 8.26 4.04 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 28 A 8.16 3.99 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 29 Q 8.21 4.16 0.00 2.56 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.75 0.00 0.00 0.00 0.00 0.00 2.45 2.07 0.00 30 V 8.22 3.75 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 1.09 0.00 0.00 1.12 0.00 0.00 31 D 8.44 4.44 0.00 3.00 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 32 Y 8.10 4.17 0.00 3.10 3.32 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 0.00 33 I 7.96 3.85 2.14 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 1.64 0.91 1.06 0.00 0.00 34 V 7.88 3.52 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 1.01 0.00 0.00 0.99 0.00 0.00 35 A 8.09 3.94 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 N 7.09 4.16 0.00 1.44 1.42 0.00 0.00 7.02 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 37 G 7.25 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 W 7.49 4.96 0.00 3.33 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 I 8.74 4.50 2.10 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.96 0.70 0.00 0.00 40 P 0.00 4.88 0.00 2.13 2.19 0.00 3.89 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.00 0.00 41 C 8.95 5.02 0.00 3.13 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 42 L 8.74 5.34 0.00 1.85 1.62 0.83 0.83 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 43 E 9.22 5.60 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 44 F 9.09 5.61 0.00 3.10 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 8.31 4.46 -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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.59 4.28 0.00 2.18 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 0.00 2.29 2.27 0.00 47 A 8.83 4.28 1.52 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 0.00 0.00 48 D 8.14 4.57 0.00 2.70 2.77 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 49 K 7.97 4.62 0.00 1.60 1.66 0.00 1.70 0.00 0.00 1.81 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.32 1.42 7.81 50 A 7.66 3.89 0.51 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 51 Y 7.41 4.80 0.00 2.91 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 52 V 8.34 3.97 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 0.54 0.00 0.00 0.77 0.00 0.00 53 S 8.95 4.77 0.00 4.06 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 54 N 8.55 5.15 0.00 2.75 2.85 0.00 0.00 6.55 7.66 0.00 0.00 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 E 8.25 3.95 0.00 2.15 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 0.00 2.48 2.38 0.00 56 S 8.86 4.07 0.00 4.08 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 57 A 7.68 2.58 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 I 7.01 3.57 1.79 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.81 0.88 0.00 0.00 59 R 7.58 4.26 0.00 1.88 2.00 0.00 3.19 0.00 0.00 3.21 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 60 F 7.17 5.08 0.00 3.00 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 61 G 8.23 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 S 8.42 4.60 0.00 3.86 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 63 V 7.21 4.44 1.83 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 0.65 0.00 0.00 0.46 0.00 0.00 64 S 8.23 4.47 0.00 4.10 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 0.00 65 C 8.17 4.00 0.00 2.96 2.95 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 66 L 8.41 3.62 0.00 1.76 1.75 0.95 1.03 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 67 Y 7.77 4.39 0.00 2.92 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 Y 7.19 4.83 0.00 2.81 2.72 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 0.00 0.00 0.00 69 D 8.89 4.52 0.00 2.78 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.90 4.60 0.00 3.06 3.22 0.00 0.00 6.99 7.66 0.00 0.00 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 R 7.98 3.96 0.00 1.50 1.71 0.00 3.08 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.58 0.00 72 Y 7.68 4.38 0.00 3.05 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 W 8.70 5.06 0.00 3.08 3.18 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 74 T 8.10 4.41 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 0.95 0.00 0.00 75 M 8.56 4.62 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.80 0.00 76 W 9.43 4.78 0.00 3.67 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 77 K 8.54 3.42 0.00 1.70 0.77 0.00 1.74 0.00 0.00 1.54 0.00 0.00 2.71 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.74 0.21 7.81 78 L 8.26 4.93 0.00 1.60 1.58 1.00 1.03 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 79 P 0.00 4.36 0.00 0.69 1.80 0.00 3.65 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 1.92 2.13 0.00 80 M 8.53 4.30 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.53 0.00 81 F 7.29 4.49 0.00 3.11 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 82 G 9.14 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 83 C 7.96 4.29 0.00 3.03 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 84 R 8.65 4.53 0.00 1.80 1.86 0.00 3.22 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.79 0.00 85 D 7.81 4.82 0.00 2.72 2.54 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 0.00 0.00 0.00 86 P 0.00 4.35 0.00 2.33 2.34 0.00 3.77 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.08 0.00 87 M 8.18 4.13 0.00 2.06 2.31 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.71 0.00 88 Q 8.06 3.99 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 89 V 7.77 3.60 2.27 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 1.05 0.00 0.00 0.97 0.00 0.00 90 L 7.91 4.03 0.00 1.91 1.72 0.95 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.21 3.97 0.00 2.03 2.01 0.00 3.15 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.85 0.00 92 E 8.34 4.11 0.00 2.24 2.18 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 2.62 2.64 0.00 93 I 7.85 3.52 2.00 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 1.35 0.99 0.86 0.00 0.00 94 V 7.72 3.49 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 0.97 0.00 0.00 0.91 0.00 0.00 95 A 8.09 3.95 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 96 C 7.69 2.00 0.00 1.27 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 0.00 0.00 0.00 0.00 97 T 7.50 3.77 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 1.12 0.00 0.00 98 K 7.71 3.82 0.00 1.79 1.96 0.00 1.76 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.38 1.39 7.81 99 A 7.55 3.96 1.16 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 0.00 0.00 100 F 7.73 4.70 0.00 2.91 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 0.00 101 P 0.00 4.50 0.00 2.12 2.10 0.00 3.25 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.87 0.00 102 D 8.04 4.66 0.00 2.68 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 0.00 103 A 7.37 4.76 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 8.58 4.20 0.00 2.50 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 0.00 105 V 8.90 5.25 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 0.94 0.00 0.00 0.89 0.00 0.00 106 R 9.55 5.00 0.00 1.78 1.87 0.00 2.29 0.00 0.00 2.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.34 0.00 107 L 8.13 4.81 0.00 1.53 0.78 0.84 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 108 V 8.75 4.81 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 0.42 0.00 0.00 0.52 0.00 0.00 109 A 8.05 4.84 1.16 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 0.00 0.00 110 F 8.98 5.21 0.00 3.02 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 0.00 111 D 8.88 5.33 0.00 2.33 2.43 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 0.00 112 N 9.17 4.72 0.00 2.94 3.05 0.00 0.00 6.33 7.39 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 0.00 113 Q 8.73 4.19 0.00 2.26 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 7.06 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 114 K 8.36 4.00 0.00 1.75 1.87 0.00 1.88 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.46 7.81 115 Q 8.04 3.45 0.00 2.13 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.72 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 116 V 7.75 4.51 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 0.54 0.00 0.00 0.91 0.00 0.00 117 Q 8.75 4.31 0.00 2.10 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.84 0.00 0.00 0.00 0.00 0.00 2.14 1.92 0.00 118 I 8.10 4.31 0.89 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.06 0.54 0.00 0.00 119 M 6.71 4.62 0.00 2.19 2.34 0.00 0.00 0.00 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.74 0.00 120 G 8.27 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 0.00 121 F 7.59 5.04 0.00 3.21 3.27 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 0.00 122 L 8.79 4.62 0.00 1.63 1.63 0.76 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 123 V 9.01 4.55 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 0.77 0.00 0.00 0.93 0.00 0.00 124 Q 7.86 4.63 0.00 2.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.80 0.00 0.00 0.00 0.00 0.00 2.26 2.23 0.00 125 R 8.10 4.33 0.00 1.26 1.51 0.00 2.21 0.00 0.00 2.43 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.33 0.00 126 P 0.00 4.21 0.00 2.06 1.99 0.00 2.52 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.82 0.00 127 K 8.46 4.04 0.00 1.72 1.88 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.39 7.81 128 T 7.80 4.06 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 0.00 129 A 7.69 4.32 1.56 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 0.00 130 R 8.77 4.61 0.00 1.78 1.86 0.00 3.31 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.53 0.00 131 D 8.51 4.96 0.00 2.91 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 0.00 132 F 7.54 5.42 0.00 3.23 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 0.00 133 Q 8.36 4.47 0.00 1.89 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 7.07 0.00 0.00 0.00 0.00 0.00 2.28 2.04 0.00 134 P 0.00 4.50 0.00 2.35 2.20 0.00 3.57 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.90 0.00 135 A 8.91 3.96 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 0.00 136 N 8.09 4.63 0.00 2.83 2.95 0.00 0.00 5.84 7.13 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 0.00 137 K 7.86 4.46 0.00 1.72 1.71 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.30 1.30 7.81 138 R 7.70 3.57 0.00 1.42 0.66 0.00 3.04 0.00 0.00 3.19 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.52 0.00 139 S 7.47 5.09 0.00 4.07 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 V 8.57 3.99 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.96 0.00 0.00