NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9294 8.3549 109.7375 45.4363 0.0000 173.2672 2 S 4.4041 8.4552 120.0480 56.5225 64.2185 172.5106 3 S 4.3764 8.4016 118.4992 57.0846 65.1710 174.6986 4 G 3.8189 8.6145 119.0820 46.3756 0.0000 172.6502 5 S 3.6832 7.7668 122.7541 60.2609 61.0450 174.3204 6 S 4.4668 7.4003 115.5675 57.6958 61.9160 173.4730 7 G 3.7310 8.0945 113.1592 45.0757 0.0000 167.6425 8 P 4.3349 0.0000 0.0000 62.9179 31.6726 176.6518 9 N 4.7059 8.0109 119.6357 50.9515 40.2049 173.2910 10 A 4.3569 7.4703 119.2466 50.9352 22.9910 177.4984 11 S 4.3855 8.3007 114.5259 61.4766 63.5700 176.3721 12 Q 4.0284 8.0998 123.6638 58.4765 28.7863 177.7443 13 S 4.1870 8.3198 113.7455 62.2395 62.2463 175.4225 14 L 4.1655 8.2704 122.5015 57.3127 41.7522 178.1977 15 L 4.1246 8.6328 120.0576 58.3613 42.2125 179.9220 16 V 3.6616 8.2914 118.2356 65.5548 31.7535 177.4584 17 W 4.3018 8.5028 128.6962 60.8786 30.3241 177.6911 18 C 4.1864 8.6046 114.0930 61.4804 29.1186 176.0787 19 K 3.9997 7.5989 121.1264 57.9367 31.7502 178.6967 20 E 3.9220 8.4184 120.6881 59.1361 29.4843 179.0589 21 V 3.0683 6.9835 111.6240 63.3780 31.5709 177.3214 22 T 3.4644 7.0141 109.3370 60.5630 68.7500 176.4020 23 K 3.9256 8.1501 124.7751 59.8444 32.7694 177.4788 24 N 4.9006 7.9310 116.4715 52.7698 37.6847 173.0847 25 Y 4.5846 7.7377 114.7662 57.1835 41.7636 174.9283 26 R 4.7706 8.4878 119.5199 55.6655 32.1402 176.4474 27 G 3.7742 8.9233 110.9467 46.7465 0.0000 173.9949 28 V 4.0648 7.7623 120.6603 60.2648 31.1499 173.7355 29 K 4.3327 7.7430 125.8823 53.5981 32.3307 176.0020 30 I 4.2216 7.7573 125.9931 60.8683 34.6207 175.9775 31 T 4.0329 7.5914 113.4034 63.4070 69.6867 175.3655 32 N 5.0333 7.5156 116.2636 51.1040 40.4846 173.6772 33 F 5.1607 8.8874 115.5244 57.8194 39.3997 176.3056 34 T 4.5666 7.9353 109.7551 63.6819 70.6174 176.0590 35 T 4.1381 8.0588 112.7416 63.9325 69.8127 176.7339 36 S 4.0064 8.5855 118.3103 59.7695 62.4186 175.7132 37 W 4.5683 8.1445 118.1383 57.0484 30.7504 177.9377 38 R 4.1066 8.6273 119.4861 59.5571 29.8929 177.1892 39 N 4.4958 8.4118 114.7506 57.1710 37.7108 176.9220 40 G 4.3308 7.6988 109.5586 45.8151 0.0000 176.3976 41 L 4.1829 8.4425 120.4026 57.4339 42.0128 178.5886 42 S 3.9600 7.6307 114.3504 61.6809 62.4123 176.9025 43 F 4.8831 8.2415 119.9032 61.1439 38.8090 177.2721 44 C 4.4824 8.1639 115.6567 62.3743 27.8258 175.9719 45 A 3.2038 8.4360 122.2015 54.9828 18.1205 179.3394 46 I 3.5941 7.9030 118.2744 64.6588 37.3452 178.3647 47 L 4.2309 8.1109 119.5584 58.6861 41.5444 178.6156 48 H 4.4265 8.1066 117.5029 58.9174 29.8035 176.4128 49 H 4.8257 8.0157 121.2129 58.7559 29.7227 177.0536 50 F 4.4168 7.7574 117.2444 59.2298 40.1110 176.5061 51 R 4.5424 8.0754 121.6001 53.3511 30.4210 174.2527 52 P 4.1285 0.0000 0.0000 63.9900 31.6735 177.3133 53 D 4.8565 7.8960 118.0298 54.3060 41.0660 176.5997 54 L 4.4398 7.7247 120.9398 55.3483 42.9351 176.1001 55 I 4.6738 7.4992 116.7653 59.8078 40.4955 174.6721 56 D 5.0091 8.3544 118.0385 54.4794 41.1532 177.9686 57 Y 4.2949 8.3653 123.1749 60.4190 38.8277 178.5929 58 K 4.0900 8.3127 118.0587 58.9157 32.2378 176.9711 59 S 4.6149 8.3527 112.9452 57.8310 62.8852 173.6290 60 L 4.4203 6.9794 119.9306 54.0268 43.4909 175.4270 61 N 4.2884 7.6391 113.5960 52.6325 41.7287 173.8114 62 P 4.5665 0.0000 0.0000 63.9687 31.2664 177.0851 63 Q 4.1266 7.8510 116.4676 57.3341 29.1317 175.2055 64 D 4.8730 7.7279 119.2062 52.9193 42.6684 176.0173 65 I 4.8386 8.3056 126.4440 62.6627 38.0678 178.0316 66 K 4.3179 7.7990 121.1330 59.5512 32.2908 177.6293 67 E 3.8858 8.4838 118.9346 59.3272 29.3267 178.4145 68 N 4.1915 7.9619 115.2229 56.5146 39.0133 177.0079 69 N 4.1015 7.8908 116.2827 56.0353 38.7960 177.1705 70 K 3.9432 8.3989 121.3149 59.7221 32.0081 178.4503 71 K 3.8509 8.2819 117.1797 60.1083 32.2615 178.4624 72 A 3.9022 7.5618 119.2944 54.9906 18.3436 178.8778 73 Y 4.6592 7.4556 113.8816 61.6083 37.8994 179.3887 74 D 4.5287 8.2237 119.0600 57.1256 41.1597 178.7659 75 G 3.6304 8.3574 106.5382 47.6724 0.0000 175.5971 76 F 4.3823 7.9582 120.4107 60.3084 38.7124 177.4229 77 A 4.7871 8.2082 119.8728 53.5176 17.8883 179.3051 78 S 4.0141 8.2270 112.5335 60.8848 62.5766 175.0249 79 I 3.9598 7.7711 113.7641 62.1169 37.8957 174.8670 80 G 3.2285 6.5863 110.3687 45.3253 0.0000 174.1914 81 I 4.1788 7.7395 123.8615 58.8161 36.4933 174.9471 82 S 4.2722 8.4953 120.6367 58.8620 63.2768 174.7595 83 R 4.0712 8.3920 120.7255 55.2751 30.4327 175.7250 84 L 4.2606 7.4052 121.2808 55.2568 43.8061 176.5619 85 L 4.3087 6.3864 117.9150 53.3606 43.2910 174.9498 86 E 4.4681 7.9883 122.6351 53.6352 31.9063 175.6077 87 P 4.3344 0.0000 0.0000 66.0220 32.2005 178.8099 88 S 4.1485 8.4050 114.2517 61.4565 62.9234 175.7610 89 D 4.4016 8.1142 122.9385 57.3320 40.3959 178.8951 90 M 4.0113 7.3644 117.1579 58.8728 32.0883 178.8952 91 V 3.8203 8.1884 117.1965 65.8356 31.9058 177.6941 92 L 4.1666 8.0138 117.4373 56.9963 41.6805 176.0913 93 L 4.8324 7.9139 116.6764 53.9565 43.0455 175.0550 94 A 4.3647 8.2475 119.7439 53.1129 19.8461 176.7170 95 I 4.4461 7.3019 114.9767 58.4262 39.1104 174.6532 96 P 4.5013 0.0000 0.0000 62.4043 32.4332 175.6436 97 D 4.6684 8.4104 118.2164 52.9522 41.3004 176.8502 98 K 3.8452 8.7457 126.6792 59.7279 32.2147 178.1981 99 L 3.9508 7.8708 118.2576 58.3668 41.6230 179.2178 100 T 3.8276 7.9003 115.0565 66.5648 68.3797 176.1829 101 V 3.5547 8.2231 119.8503 66.8173 31.4468 177.7827 102 M 3.2780 7.9048 117.6728 58.7393 31.6596 178.8253 103 T 3.9805 7.3672 113.5936 67.0422 68.9309 175.4620 104 Y 4.3655 7.9361 120.9490 60.7359 38.8016 177.8087 105 L 3.5089 7.8991 119.9784 58.1655 41.6174 178.9492 106 Y 4.1318 7.4679 116.3406 61.5626 37.7614 178.8565 107 Q 3.8572 7.7208 118.0707 59.1488 28.7296 178.9167 108 I 3.2895 7.1327 119.6674 64.6731 37.2000 178.1687 109 R 2.5100 7.2680 118.7114 58.8324 29.3070 178.4745 110 A 4.1125 7.5528 121.3547 54.8990 18.4829 178.3926 111 H 3.8693 8.0124 115.6870 59.8918 29.8131 176.8705 112 F 4.6664 7.5389 118.4109 59.1399 39.5125 175.5681 113 S 4.6278 8.1069 116.1645 55.6503 62.1002 172.7060 114 S 4.1717 8.2255 121.2098 58.1445 62.9263 173.0288 115 G 3.8526 7.7432 120.6986 45.9333 0.0000 172.0478 116 P 4.3046 0.0000 0.0000 62.1850 32.7595 177.4149 117 S 4.4952 8.1273 115.8364 56.2784 62.3694 172.3920 118 S 4.2522 8.0969 120.3291 58.5971 63.8438 174.7862 119 G 4.0153 8.6658 111.9785 45.8682 0.0000 173.1725 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 G 8.35 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 0.00 0.00 0.00 2 S 8.46 4.40 0.00 3.95 3.79 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 3 S 8.40 4.38 0.00 3.75 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 4 G 8.61 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 S 7.77 3.68 0.00 3.94 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 S 7.40 4.47 0.00 3.92 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 7 G 8.09 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 8 P 0.00 4.33 0.00 2.15 2.08 0.00 3.65 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.91 0.00 9 N 8.01 4.71 0.00 2.32 2.49 0.00 0.00 5.96 7.17 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 10 A 7.47 4.36 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 11 S 8.30 4.39 0.00 4.15 4.17 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 12 Q 8.10 4.03 0.00 2.17 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.87 0.00 0.00 0.00 0.00 0.00 2.50 2.42 0.00 13 S 8.32 4.19 0.00 4.00 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 14 L 8.27 4.17 0.00 1.75 1.75 0.70 -0.57 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 15 L 8.63 4.12 0.00 2.15 1.96 0.50 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 16 V 8.29 3.66 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 0.82 0.00 0.00 1.07 0.00 0.00 17 W 8.50 4.30 0.00 3.65 3.46 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 18 C 8.60 4.19 0.00 3.37 3.72 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 19 K 7.60 4.00 0.00 1.85 1.85 0.00 1.59 0.00 0.00 1.55 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.27 7.81 20 E 8.42 3.92 0.00 2.06 1.75 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 2.15 2.25 0.00 21 V 6.98 3.07 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 -0.34 0.00 0.00 0.41 0.00 0.00 22 T 7.01 3.46 3.68 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 0.46 0.00 0.00 23 K 8.15 3.93 0.00 1.79 2.08 0.00 1.53 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.34 7.81 24 N 7.93 4.90 0.00 2.79 2.91 0.00 0.00 5.80 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 7.74 4.58 0.00 3.08 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 26 R 8.49 4.77 0.00 1.78 1.83 0.00 3.29 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.63 0.00 27 G 8.92 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 28 V 7.76 4.06 2.04 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 0.57 0.00 0.00 1.10 0.00 0.00 29 K 7.74 4.33 0.00 1.63 1.58 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.22 1.35 7.81 30 I 7.76 4.22 1.69 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.88 0.63 0.00 0.00 31 T 7.59 4.03 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 1.20 0.00 0.00 32 N 7.52 5.03 0.00 2.84 2.81 0.00 0.00 5.95 7.43 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 33 F 8.89 5.16 0.00 3.12 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 34 T 7.94 4.57 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 1.31 0.00 0.00 35 T 8.06 4.14 4.27 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 1.26 0.00 0.00 36 S 8.59 4.01 0.00 4.00 3.52 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 37 W 8.14 4.57 0.00 3.52 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 R 8.63 4.11 0.00 2.00 2.23 0.00 3.37 0.00 0.00 3.43 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.72 0.00 39 N 8.41 4.50 0.00 3.03 3.09 0.00 0.00 6.27 6.91 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 40 G 7.70 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 0.00 0.00 0.00 0.00 41 L 8.44 4.18 0.00 1.62 1.72 0.87 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 42 S 7.63 3.96 0.00 2.72 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 43 F 8.24 4.88 0.00 3.38 3.37 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 44 C 8.16 4.48 0.00 3.64 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 8.44 3.20 0.85 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 46 I 7.90 3.59 2.42 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.81 1.53 0.00 0.00 47 L 8.11 4.23 0.00 1.33 1.62 0.82 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 48 H 8.11 4.43 0.00 3.39 3.52 0.00 5.82 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 49 H 8.02 4.83 0.00 2.94 2.65 0.00 5.85 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 F 7.76 4.42 0.00 3.03 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 51 R 8.08 4.54 0.00 1.98 1.86 0.00 3.30 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 1.60 1.63 0.00 52 P 0.00 4.13 0.00 1.95 1.79 0.00 3.70 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.88 0.00 53 D 7.90 4.86 0.00 2.66 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 54 L 7.72 4.44 0.00 1.84 1.69 0.96 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 55 I 7.50 4.67 2.01 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 1.42 0.48 0.98 0.00 0.00 56 D 8.35 5.01 0.00 2.78 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 57 Y 8.37 4.29 0.00 3.08 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 58 K 8.31 4.09 0.00 1.82 1.90 0.00 1.78 0.00 0.00 1.68 0.00 0.00 3.23 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.62 1.53 7.81 59 S 8.35 4.61 0.00 3.70 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 60 L 6.98 4.42 0.00 1.34 1.40 1.02 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 61 N 7.64 4.29 0.00 2.66 2.58 0.00 0.00 6.52 7.96 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 62 P 0.00 4.57 0.00 2.15 2.12 0.00 3.70 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.91 0.00 63 Q 7.85 4.13 0.00 2.16 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.79 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 64 D 7.73 4.87 0.00 2.70 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 65 I 8.31 4.84 1.92 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 1.55 0.92 1.03 0.00 0.00 66 K 7.80 4.32 0.00 1.86 1.83 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.52 7.81 67 E 8.48 3.89 0.00 2.13 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 2.39 2.49 0.00 68 N 7.96 4.19 0.00 3.12 3.09 0.00 0.00 6.94 7.08 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 69 N 7.89 4.10 0.00 3.13 2.87 0.00 0.00 7.07 7.31 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 70 K 8.40 3.94 0.00 1.94 1.98 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 3.44 0.00 0.00 0.00 0.00 1.49 1.78 7.81 71 K 8.28 3.85 0.00 1.85 1.90 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.08 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.63 7.81 72 A 7.56 3.90 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 73 Y 7.46 4.66 0.00 3.07 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 74 D 8.22 4.53 0.00 2.89 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 75 G 8.36 3.63 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 0.00 0.00 0.00 76 F 7.96 4.38 0.00 3.31 3.13 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 0.00 0.00 0.00 0.00 77 A 8.21 4.79 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.23 4.01 0.00 4.11 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 79 I 7.77 3.96 1.83 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.66 0.93 0.00 0.00 80 G 6.59 3.23 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 0.00 81 I 7.74 4.18 2.01 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.87 0.89 0.00 0.00 82 S 8.50 4.27 0.00 3.87 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 83 R 8.39 4.07 0.00 1.48 1.76 0.00 3.15 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.46 0.00 84 L 7.41 4.26 0.00 1.38 1.59 1.04 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 85 L 6.39 4.31 0.00 1.33 1.17 0.91 1.08 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 86 E 7.99 4.47 0.00 2.11 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 2.13 2.10 0.00 87 P 0.00 4.33 0.00 2.40 2.63 0.00 3.72 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.14 0.00 88 S 8.40 4.15 0.00 4.09 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 89 D 8.11 4.40 0.00 2.89 2.81 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 90 M 7.36 4.01 0.00 2.19 2.43 0.00 0.00 0.00 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.01 3.04 0.00 91 V 8.19 3.82 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 0.81 0.00 0.00 1.06 0.00 0.00 92 L 8.01 4.17 0.00 1.79 1.75 0.99 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 93 L 7.91 4.83 0.00 1.72 1.66 1.02 0.54 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 94 A 8.25 4.36 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 95 I 7.30 4.45 1.91 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 1.50 0.98 0.97 0.00 0.00 96 P 0.00 4.50 0.00 2.28 2.21 0.00 3.85 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 2.07 2.24 0.00 97 D 8.41 4.67 0.00 2.72 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 8.75 3.85 0.00 1.88 1.86 0.00 1.80 0.00 0.00 1.85 0.00 0.00 2.91 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.66 7.81 99 L 7.87 3.95 0.00 1.72 1.70 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 100 T 7.90 3.83 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 1.18 0.00 0.00 101 V 8.22 3.55 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 0.98 0.00 0.00 1.07 0.00 0.00 102 M 7.90 3.28 0.00 1.68 2.02 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 1.51 0.00 103 T 7.37 3.98 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 1.24 0.00 0.00 104 Y 7.94 4.37 0.00 2.96 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.90 3.51 0.00 1.32 1.17 -0.38 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 106 Y 7.47 4.13 0.00 3.05 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 0.00 107 Q 7.72 3.86 0.00 1.91 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.69 0.00 0.00 0.00 0.00 0.00 2.56 2.60 0.00 108 I 7.13 3.29 1.59 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.50 1.04 0.00 0.00 109 R 7.27 2.51 0.00 0.67 1.45 0.00 2.79 0.00 0.00 3.01 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.50 0.00 110 A 7.55 4.11 1.26 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 0.00 0.00 0.00 111 H 8.01 3.87 0.00 2.84 3.04 0.00 5.96 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 F 7.54 4.67 0.00 3.34 3.17 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 0.00 113 S 8.11 4.63 0.00 4.12 4.05 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 0.00 114 S 8.23 4.17 0.00 3.85 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 0.00 115 G 7.74 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 0.00 116 P 0.00 4.30 0.00 2.09 1.93 0.00 3.63 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.82 0.00 117 S 8.13 4.50 0.00 3.76 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 0.00 118 S 8.10 4.25 0.00 3.86 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 0.00 119 G 8.67 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 0.00 0.00 0.00