NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7450 8.2048 120.4274 55.5957 33.5985 174.2803 2 I 4.2989 8.5038 127.7120 58.8952 40.0397 173.6993 3 A 4.5669 9.3954 130.7764 50.8062 18.0896 176.5919 4 I 3.9745 7.6127 122.0479 61.6600 38.2845 176.4607 5 S 4.3682 8.3480 120.2366 58.6894 64.4309 173.4205 6 R 3.6780 8.8573 121.0730 57.4678 27.1417 175.7353 7 T 3.7226 8.1599 121.2533 63.0767 67.6118 172.8652 8 V 4.5187 7.9534 119.7303 60.1908 33.9985 175.1488 9 S 4.9583 8.2941 116.2075 57.0571 67.7433 172.7187 10 I 4.5402 8.2942 122.3137 59.6753 39.5856 176.5369 11 A 4.6251 8.3948 128.5404 52.3290 19.4548 177.0484 12 D 4.5955 8.5235 116.0216 56.8018 41.4725 177.5843 13 N 4.5080 7.9341 116.0001 55.4162 39.3050 175.5080 14 E 4.4777 8.0153 115.7726 56.7510 29.6318 176.5039 15 L 4.2472 7.2881 118.4352 54.5517 42.6028 176.1104 16 E 4.5599 8.5796 121.0426 55.2926 31.1485 175.1047 17 I 4.9633 8.3859 125.0561 59.8432 40.1975 175.0455 18 T 4.7997 9.7154 124.2610 61.5729 72.3890 172.7969 19 A 4.9120 8.5473 125.7749 50.4248 19.6783 176.0403 20 I 4.1407 8.3393 124.2240 60.1604 38.9823 175.0713 21 R 4.6474 8.6210 128.1253 54.3794 30.6355 173.9591 22 A 4.2530 8.3511 127.1174 51.8633 19.6617 173.5290 23 Q 3.6429 8.9258 129.1806 55.3233 30.1722 173.3247 24 G 3.7286 8.5554 113.3623 44.4606 0.0000 173.2262 25 A 4.0728 8.4908 129.6762 51.9483 19.3395 178.4151 26 G 3.7492 8.4614 113.2129 43.7095 0.0000 172.0543 27 G 3.8844 7.4546 113.5054 45.8359 0.0000 172.1037 28 Q 4.3190 7.4199 119.6058 53.8624 30.4217 175.5697 29 H 4.4052 8.3726 115.8921 55.6557 28.9729 175.6310 30 V 3.9168 8.4263 124.1378 63.4387 31.9862 174.3533 31 N 5.1784 7.8999 115.0706 50.9572 40.2252 173.7093 32 K 4.4969 8.5154 113.9095 56.8416 33.1504 176.3150 33 T 4.4264 7.7910 107.9870 62.2313 68.8750 174.4782 34 S 4.5959 7.7387 116.9047 58.9380 63.0778 174.8520 35 S 4.5035 7.7687 116.4277 57.7955 63.5841 172.4851 36 A 4.8262 8.4457 127.2732 50.5178 22.8071 174.5437 37 I 4.5623 8.3513 121.2244 60.1312 39.2967 174.2346 38 H 5.5281 9.3115 128.0566 54.2540 31.9176 172.8953 39 L 5.8102 8.6862 125.4813 52.7984 44.0265 175.5817 40 R 5.0448 8.4984 116.1926 54.5411 32.7878 174.4192 41 F 4.6278 9.6402 125.1565 56.9149 40.6293 173.2195 42 D 5.0131 7.9936 125.7467 52.4375 42.5970 176.3117 43 I 3.8309 8.4053 126.4552 64.6175 37.4299 178.7144 44 R 3.8760 8.0864 117.1236 58.6508 30.0209 177.5385 45 A 4.2046 7.5766 119.5703 53.4280 19.0146 176.7188 46 S 4.8088 7.7695 111.4843 57.1189 66.2696 173.8051 47 G 4.1557 8.2096 103.6486 44.4837 0.0000 172.2227 48 L 4.1919 7.6982 120.5573 54.2243 43.0962 176.3903 49 P 4.6357 0.0000 0.0000 61.7169 33.5957 177.7258 50 E 4.0148 8.6843 117.3679 60.1281 29.4412 178.6786 51 Y 4.2218 8.7308 121.3271 60.2313 38.9803 177.2947 52 Y 3.9337 8.1144 120.2662 60.5722 38.5843 177.9029 53 K 3.9781 8.2755 119.7993 60.0205 32.4771 179.1348 54 Q 3.9698 7.9530 118.9317 58.7029 28.6082 178.8178 55 R 3.8163 7.4918 120.3347 58.6990 29.8575 179.1722 56 L 3.9749 7.2470 116.8938 57.2246 41.6340 178.8077 57 L 4.3116 7.3482 116.0144 55.7879 42.1093 178.0289 58 T 4.4581 7.3939 109.5215 62.1104 70.0954 173.8701 59 A 4.3456 7.9982 125.3435 50.6276 17.0025 175.7609 60 S 4.2929 8.2087 115.7631 59.3201 62.5506 173.8134 61 H 5.0474 8.2753 121.8066 53.7261 32.4265 174.6766 62 H 4.1670 8.8336 121.5244 59.0505 30.1934 176.7764 63 L 4.1382 7.9920 118.9825 57.1608 41.7302 176.8836 64 I 4.5030 7.5154 120.2289 60.9509 37.6580 176.1066 65 S 4.2130 9.1133 123.1075 60.0172 63.4005 174.0595 66 D 4.5574 7.5787 126.6567 55.5145 43.0522 177.3061 67 D 4.6805 8.2924 115.8895 54.5265 40.4792 177.2844 68 G 3.9144 7.9662 106.3694 45.4658 0.0000 174.3486 69 V 4.3172 7.3699 119.4658 60.8167 33.8124 174.9285 70 I 4.8158 8.7641 124.4473 60.0746 38.9366 174.5035 71 I 4.8028 8.4346 128.4848 59.5639 39.1518 175.1385 72 I 4.4129 8.6933 128.5786 59.5130 39.2786 174.8253 73 K 4.7896 8.8425 126.4874 54.6089 34.4696 175.3788 74 A 4.8512 8.3894 126.5973 49.9483 22.1289 175.0962 75 Q 4.1891 8.6063 120.7987 56.2050 29.5782 172.5028 76 E 4.4679 9.1006 122.2034 56.8830 31.7444 175.2968 77 F 4.9444 7.6944 116.9451 56.0649 43.2165 174.3253 78 R 3.9295 6.3601 120.5441 56.6239 31.1207 174.1073 79 S 3.7897 8.5999 116.6641 59.3675 59.1782 170.8570 80 Q 4.4408 8.2769 125.7765 57.9481 28.5554 177.7590 81 E 3.9091 8.2857 120.0159 59.5381 29.4893 178.7143 82 L 4.0352 7.9820 119.9803 58.0085 42.0342 178.4685 83 N 4.3421 8.1559 116.0490 56.3914 38.5600 177.3529 84 R 3.8920 8.4114 119.6420 59.3509 30.2676 178.7253 85 E 3.9427 8.2729 117.9896 59.6075 29.5254 179.5627 86 A 3.9861 8.3010 120.4347 55.0109 18.4418 179.5316 87 A 3.9427 7.9201 119.0750 55.3220 18.4608 179.9068 88 I 3.6080 8.3210 118.3301 64.5678 37.3013 178.3678 89 A 4.0195 8.4189 121.8885 55.3925 18.0569 179.9898 90 R 3.8696 8.1671 116.6018 59.2795 30.2201 179.2937 91 L 3.9492 8.0716 119.7797 58.7294 40.4116 179.4378 92 V 3.4917 8.2517 119.3499 65.5694 31.4463 177.8193 93 A 3.9554 7.8822 120.3321 55.1775 18.2110 179.6547 94 V 3.5171 7.9695 116.8989 66.2185 31.4994 177.9916 95 I 3.6505 8.1765 119.7403 64.6764 36.8831 178.5684 96 K 3.9987 8.1937 118.9566 59.4758 31.5825 179.3743 97 E 3.9973 8.0759 118.2871 59.1358 29.5023 178.7517 98 L 4.2229 7.9181 117.6294 56.9468 42.0549 178.7903 99 T 4.0844 8.0567 114.3953 64.3692 68.6807 174.6440 100 A 4.3626 7.0235 123.8878 51.2326 19.3459 177.3757 101 E 4.2997 8.3039 118.5469 56.0483 30.6859 176.6579 102 Q 4.1335 8.3376 117.6669 57.5547 29.2497 176.9828 103 K 3.9780 8.6057 117.3045 56.7634 31.7286 175.9798 104 S 4.4079 7.5546 112.1958 57.6497 60.7986 172.5075 105 R 4.5970 7.4676 125.0450 55.0437 34.1929 175.0315 106 R 3.5980 9.0562 117.7179 56.9486 29.4936 176.7433 107 A 3.8217 8.8578 120.8227 52.7610 15.8812 178.6758 108 T 4.5047 7.1628 107.5400 60.1880 68.6690 173.1074 109 R 4.3486 7.8815 126.6180 54.2281 31.1854 171.7914 110 P 4.5821 0.0000 0.0000 61.2810 30.8204 176.2753 111 T 4.1764 7.9289 116.1765 60.4672 67.4206 173.5214 112 R 4.3333 7.7762 125.7287 54.7838 31.1766 174.4636 113 A 4.2552 7.7406 124.2793 51.8854 20.5532 176.0474 114 S 4.2710 8.1092 112.1657 58.7039 64.8558 175.5705 115 K 4.1700 8.6111 124.7559 55.9757 34.0631 173.5835 116 E 4.7170 8.5656 123.4323 55.4376 32.3200 174.1366 117 R 4.5068 7.9101 119.1493 55.9011 32.8181 173.4751 118 R 4.6337 7.9427 113.4623 54.6665 32.3597 175.0410 119 L 4.1300 8.0152 118.0653 54.7787 42.7796 174.1391 120 S 4.5007 8.4176 120.6343 56.7375 65.2468 174.2316 121 S 4.4308 8.5324 121.8697 56.8849 65.7644 173.9030 122 K 4.3282 8.5707 124.5332 55.1407 34.4439 175.7225 123 A 4.4942 8.5447 126.5435 50.1822 20.4306 174.7487 124 Q 4.3885 8.4680 122.4977 55.1915 31.8583 173.8364 125 K 4.4535 8.6754 125.9930 54.5623 34.4509 175.2482 126 S 4.3186 8.5223 120.1532 56.5515 63.2387 172.9249 127 S 4.5976 8.4133 122.5735 56.8747 62.2236 174.2722 128 V 4.2717 8.0181 116.4799 60.5673 33.3733 175.7811 129 K 4.2725 8.0329 121.7666 54.9025 31.8022 175.3024 130 A 4.8221 8.2392 128.6409 50.2982 22.0590 174.4385 131 L 4.7106 8.0534 119.1905 54.7519 43.5359 174.7327 132 R 4.5289 8.5961 116.8276 55.2009 33.9474 173.5198 133 G 3.1475 7.5795 108.0897 45.0952 0.0000 171.4553 134 K 4.4147 7.7753 125.8235 54.2470 33.5039 175.4402 135 V 4.3847 7.9881 124.0199 59.6301 34.2189 175.4557 136 R 4.3516 8.5583 122.6865 54.9382 30.2435 176.5347 137 R 4.4136 8.1371 123.6523 53.8878 30.6931 170.7509 138 P 4.5533 0.0000 0.0000 61.1049 32.4991 176.3771 139 L 4.4972 8.4016 123.9810 52.9149 41.5189 174.8188 140 D 4.8693 8.2665 122.8838 51.4024 41.1927 177.2899 141 L 4.4119 8.1505 122.1126 54.4524 40.9687 174.7142 142 E 4.6147 8.3937 123.3992 54.6872 32.3023 174.9971 143 H 4.9738 8.0634 113.0150 53.9874 31.2432 172.4311 144 H 4.7527 8.4832 121.3819 55.0944 32.3479 171.9401 145 H 4.4104 7.8756 119.2402 55.2212 30.2394 173.0158 146 H 4.4443 8.7406 121.3817 55.7167 30.5393 174.1639 147 H 4.4497 8.3673 126.4522 55.9640 30.3711 174.6205 148 H 4.5641 8.3781 122.8583 56.0664 29.4354 173.2308 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 4.74 0.00 2.03 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 2.49 2.49 0.00 2 I 8.50 4.30 1.92 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 1.18 0.44 0.87 0.00 0.00 3 A 9.40 4.57 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 4 I 7.61 3.97 1.97 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.92 0.33 0.00 0.00 5 S 8.35 4.37 0.00 3.96 3.87 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 6 R 8.86 3.68 0.00 2.18 2.01 0.00 3.50 0.00 0.00 3.40 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.91 0.00 7 T 8.16 3.72 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 1.21 0.00 0.00 8 V 7.95 4.52 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 0.72 0.00 0.00 0.91 0.00 0.00 9 S 8.29 4.96 0.00 3.73 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 10 I 8.29 4.54 2.09 0.00 0.00 1.00 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 0.53 1.01 0.00 0.00 11 A 8.39 4.63 1.31 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 12 D 8.52 4.60 0.00 2.63 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 13 N 7.93 4.51 0.00 2.77 2.79 0.00 0.00 7.09 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 14 E 8.02 4.48 0.00 1.98 1.94 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 2.29 2.37 0.00 15 L 7.29 4.25 0.00 1.70 1.62 0.97 0.90 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 16 E 8.58 4.56 0.00 2.06 1.88 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 2.32 2.26 0.00 17 I 8.39 4.96 1.88 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 1.36 0.89 0.93 0.00 0.00 18 T 9.72 4.80 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 1.22 0.00 0.00 19 A 8.55 4.91 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 20 I 8.34 4.14 1.87 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 1.06 0.90 0.92 0.00 0.00 21 R 8.62 4.65 0.00 1.78 1.82 0.00 3.22 0.00 0.00 3.22 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.59 0.00 22 A 8.35 4.25 1.28 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 0.00 0.00 23 Q 8.93 3.64 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.20 0.00 0.00 0.00 0.00 0.00 2.22 2.40 0.00 24 G 8.56 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 A 8.49 4.07 1.31 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 26 G 8.46 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 27 G 7.45 3.88 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 0.00 0.00 0.00 28 Q 7.42 4.32 0.00 2.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.88 0.00 0.00 0.00 0.00 0.00 2.31 2.25 0.00 29 H 8.37 4.41 0.00 3.40 3.32 0.00 5.52 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 30 V 8.43 3.92 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 0.81 0.00 0.00 0.97 0.00 0.00 31 N 7.90 5.18 0.00 2.82 2.77 0.00 0.00 5.82 7.40 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 32 K 8.52 4.50 0.00 1.81 1.87 0.00 1.57 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.29 1.38 7.81 33 T 7.79 4.43 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 1.21 0.00 0.00 34 S 7.74 4.60 0.00 3.86 3.90 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 35 S 7.77 4.50 0.00 3.78 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 36 A 8.45 4.83 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 37 I 8.35 4.56 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.42 0.93 0.00 0.00 38 H 9.31 5.53 0.00 3.15 3.21 0.00 5.52 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.69 5.81 0.00 1.75 1.70 0.95 0.84 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 40 R 8.50 5.04 0.00 1.79 1.85 0.00 3.02 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.59 0.00 41 F 9.64 4.63 0.00 3.13 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 42 D 7.99 5.01 0.00 2.64 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 I 8.41 3.83 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.44 0.94 0.00 0.00 44 R 8.09 3.88 0.00 2.09 1.97 0.00 3.19 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 45 A 7.58 4.20 1.20 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 46 S 7.77 4.81 0.00 3.67 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 47 G 8.21 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 0.00 0.00 0.00 48 L 7.70 4.19 0.00 1.81 1.93 1.31 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 4.64 0.00 2.28 2.05 0.00 3.71 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.16 0.00 50 E 8.68 4.01 0.00 2.22 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 0.00 2.48 2.38 0.00 51 Y 8.73 4.22 0.00 3.03 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 52 Y 8.11 3.93 0.00 3.13 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 K 8.28 3.98 0.00 2.05 2.12 0.00 1.39 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.73 1.50 7.81 54 Q 7.95 3.97 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.83 0.00 0.00 0.00 0.00 0.00 2.52 2.59 0.00 55 R 7.49 3.82 0.00 1.56 1.65 0.00 2.68 0.00 0.00 3.25 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.98 0.00 56 L 7.25 3.97 0.00 1.64 1.62 0.96 0.42 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 57 L 7.35 4.31 0.00 1.60 1.67 0.90 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 58 T 7.39 4.46 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 1.21 0.00 0.00 59 A 8.00 4.35 1.11 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 60 S 8.21 4.29 0.00 3.89 3.88 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 61 H 8.28 5.05 0.00 3.15 3.12 0.00 5.82 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 H 8.83 4.17 0.00 3.07 3.32 0.00 5.93 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 7.99 4.14 0.00 1.82 1.73 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 64 I 7.52 4.50 1.96 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 1.37 0.83 0.92 0.00 0.00 65 S 9.11 4.21 0.00 3.85 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 66 D 7.58 4.56 0.00 2.71 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 D 8.29 4.68 0.00 2.71 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 68 G 7.97 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 7.37 4.32 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 0.86 0.00 0.00 1.01 0.00 0.00 70 I 8.76 4.82 2.03 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.59 0.93 0.00 0.00 71 I 8.43 4.80 1.91 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 1.31 0.49 0.98 0.00 0.00 72 I 8.69 4.41 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.50 0.92 0.00 0.00 73 K 8.84 4.79 0.00 1.64 1.76 0.00 1.72 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.53 7.81 74 A 8.39 4.85 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 75 Q 8.61 4.19 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.96 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 76 E 9.10 4.47 0.00 1.94 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 2.28 2.30 0.00 77 F 7.69 4.94 0.00 2.90 2.89 0.00 0.00 0.00 0.00 0.00 0.00 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 R 6.36 3.93 0.00 1.19 1.69 0.00 3.17 0.00 0.00 2.91 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.24 0.00 79 S 8.60 3.79 0.00 4.19 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 Q 8.28 4.44 0.00 2.14 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.83 0.00 0.00 0.00 0.00 0.00 2.45 2.34 0.00 81 E 8.29 3.91 0.00 2.09 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 82 L 7.98 4.04 0.00 1.86 1.86 0.95 0.67 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 83 N 8.16 4.34 0.00 2.95 2.87 0.00 0.00 7.20 8.10 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 84 R 8.41 3.89 0.00 2.03 1.98 0.00 3.16 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 85 E 8.27 3.94 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.50 0.00 86 A 8.30 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 87 A 7.92 3.94 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 I 8.32 3.61 2.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.81 0.91 0.00 0.00 89 A 8.42 4.02 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 90 R 8.17 3.87 0.00 2.05 1.99 0.00 3.30 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.78 0.00 91 L 8.07 3.95 0.00 1.87 1.91 0.85 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 92 V 8.25 3.49 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 0.93 0.00 0.00 0.99 0.00 0.00 93 A 7.88 3.96 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 94 V 7.97 3.52 2.20 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 1.09 0.00 0.00 1.02 0.00 0.00 95 I 8.18 3.65 2.00 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.60 0.99 0.00 0.00 96 K 8.19 4.00 0.00 1.98 1.87 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.63 7.81 97 E 8.08 4.00 0.00 2.09 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 2.57 2.50 0.00 98 L 7.92 4.22 0.00 1.50 1.58 0.75 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 99 T 8.06 4.08 4.35 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 1.44 0.00 0.00 100 A 7.02 4.36 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 0.00 101 E 8.30 4.30 0.00 2.00 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 2.36 2.34 0.00 102 Q 8.34 4.13 0.00 2.24 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.62 5.73 0.00 0.00 0.00 0.00 0.00 2.43 2.36 0.00 103 K 8.61 3.98 0.00 1.93 2.03 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.30 1.41 7.81 104 S 7.55 4.41 0.00 3.92 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 0.00 105 R 7.47 4.60 0.00 1.79 1.84 0.00 3.40 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 106 R 9.06 3.60 0.00 2.00 1.92 0.00 3.24 0.00 0.00 3.33 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 107 A 8.86 3.82 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 0.00 108 T 7.16 4.50 4.21 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 1.23 0.00 0.00 109 R 7.88 4.35 0.00 1.72 1.80 0.00 3.31 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.50 0.00 110 P 0.00 4.58 0.00 2.17 2.09 0.00 3.57 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 1.96 1.94 0.00 111 T 7.93 4.18 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 112 R 7.78 4.33 0.00 1.76 1.90 0.00 3.28 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 113 A 7.74 4.26 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 0.00 114 S 8.11 4.27 0.00 3.78 3.71 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 0.00 115 K 8.61 4.17 0.00 1.69 1.64 0.00 1.83 0.00 0.00 1.75 0.00 0.00 2.86 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.23 1.54 7.81 116 E 8.57 4.72 0.00 2.06 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.29 0.00 117 R 7.91 4.51 0.00 1.75 1.83 0.00 3.18 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 118 R 7.94 4.63 0.00 1.89 1.83 0.00 3.12 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.58 0.00 119 L 8.02 4.13 0.00 1.55 1.58 0.92 0.84 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 0.00 120 S 8.42 4.50 0.00 3.95 3.78 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.53 4.43 0.00 3.82 3.78 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.57 4.33 0.00 1.79 1.74 0.00 1.51 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.29 1.42 7.81 123 A 8.54 4.49 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 0.00 124 Q 8.47 4.39 0.00 1.96 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.63 0.00 0.00 0.00 0.00 0.00 2.23 2.33 0.00 125 K 8.68 4.45 0.00 1.70 1.63 0.00 1.85 0.00 0.00 1.63 0.00 0.00 2.74 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.30 1.32 7.81 126 S 8.52 4.32 0.00 3.80 3.71 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 0.00 127 S 8.41 4.60 0.00 4.01 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 V 8.02 4.27 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 0.73 0.00 0.00 0.93 0.00 0.00 129 K 8.03 4.27 0.00 1.70 1.74 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.36 7.81 130 A 8.24 4.82 1.20 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 0.00 131 L 8.05 4.71 0.00 1.68 1.60 0.92 0.54 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 0.00 132 R 8.60 4.53 0.00 1.75 1.85 0.00 3.23 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 133 G 7.58 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 0.00 0.00 0.00 134 K 7.78 4.41 0.00 1.66 1.69 0.00 1.72 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.30 1.39 7.81 135 V 7.99 4.38 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 0.91 0.00 0.00 0.93 0.00 0.00 136 R 8.56 4.35 0.00 1.81 1.92 0.00 3.16 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 137 R 8.14 4.41 0.00 1.68 1.78 0.00 3.27 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.66 0.00 138 P 0.00 4.55 0.00 2.21 2.04 0.00 3.78 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.97 0.00 139 L 8.40 4.50 0.00 1.61 1.66 0.96 1.08 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 0.00 140 D 8.27 4.87 0.00 2.76 2.64 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 0.00 141 L 8.15 4.41 0.00 1.72 1.68 0.93 0.58 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 0.00 142 E 8.39 4.61 0.00 1.99 1.94 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 2.16 2.25 0.00 143 H 8.06 4.97 0.00 3.22 3.29 0.00 5.48 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 H 8.48 4.75 0.00 3.04 3.20 0.00 5.97 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 H 7.88 4.41 0.00 3.20 3.19 0.00 5.57 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 H 8.74 4.44 0.00 3.07 3.18 0.00 5.72 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 H 8.37 4.45 0.00 3.10 3.10 0.00 5.72 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 0.00 148 H 8.38 4.56 0.00 3.07 3.05 0.00 5.80 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00