NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.2866 8.1593 110.9408 61.9338 70.3368 173.0325 3 T 4.3667 7.8448 112.5532 58.8245 72.2684 172.9909 4 P 4.2316 0.0000 0.0000 66.4055 31.7099 179.6196 5 S 4.1962 7.9195 112.7935 62.0861 62.7306 176.8413 6 R 3.9781 8.0512 119.4201 59.7794 30.0109 179.0123 7 R 3.9489 7.9114 117.2274 59.3724 30.0659 179.0956 8 R 3.9472 8.0924 118.2026 59.5925 30.0892 178.5347 9 L 4.1424 8.1824 118.7308 58.1529 41.4880 179.5372 10 M 4.2705 8.6008 121.2765 59.0151 31.9070 179.5993 11 R 4.0355 8.1618 120.7994 61.6896 29.6145 180.4778 12 D 4.7117 8.8878 120.2959 57.2094 40.7877 178.8583 13 F 4.3947 8.8206 121.4931 61.0215 39.3664 176.9809 14 K 3.8086 8.4284 119.5605 59.5205 31.9635 178.7263 15 K 3.9341 8.0536 118.4352 59.4463 31.8255 178.7948 16 L 3.8818 7.5178 118.9979 58.3949 41.9870 178.3864 17 Q 3.8007 7.9319 118.1153 59.8264 29.0243 177.4388 18 E 3.6201 8.6081 116.3233 58.5569 30.3528 176.4901 19 D 4.7633 7.6826 126.1539 51.2429 41.9521 173.6045 20 P 4.4705 0.0000 0.0000 61.2153 32.3727 175.0197 21 P 4.4620 0.0000 0.0000 61.6410 32.1538 175.8474 22 A 4.0171 8.6047 123.8989 53.8936 18.7707 177.7000 23 G 4.4699 9.1781 109.9752 46.4070 0.0000 172.6154 24 V 4.8214 7.6523 118.1361 60.8778 34.3683 174.5169 25 S 4.7423 9.2264 121.5386 56.6235 66.4719 172.7144 26 G 4.7569 8.4739 109.4114 46.3050 0.0000 172.2979 27 A 4.7437 8.3679 123.8773 49.5807 23.0819 174.2769 28 P 4.0628 0.0000 0.0000 62.0934 32.4892 175.8539 29 T 4.2392 8.2803 111.1207 60.4878 70.0403 174.6593 30 E 3.9516 8.8863 124.1786 59.7117 29.5847 177.5819 31 D 4.3628 7.9600 117.1408 54.4440 41.9313 174.5661 32 N 3.8906 8.9415 120.6403 53.0974 36.1937 174.5729 33 I 3.8182 8.2290 122.0757 62.5208 38.3176 176.1856 34 L 4.4925 7.8581 118.7193 56.4499 42.1144 175.7955 35 T 5.3053 8.2086 116.2142 61.6679 72.2948 173.2136 36 W 5.3839 9.3892 125.0356 54.8983 33.9276 174.1171 37 E 5.3017 9.3060 119.1910 54.9030 32.8905 175.2055 38 A 5.2505 9.5206 125.1097 50.2249 23.6778 174.4946 39 I 5.1210 8.7919 119.1145 59.6860 41.2507 174.9180 40 I 4.8982 8.8803 127.5359 59.5086 40.0593 174.7018 41 F 5.1735 9.3245 126.8962 56.3500 40.2507 175.9960 42 G 4.5927 9.5843 111.3169 45.3038 0.0000 171.1678 43 P 4.4641 0.0000 0.0000 62.9923 31.5235 176.0164 44 Q 4.1550 8.7930 124.2361 57.9035 29.5849 175.6528 45 E 3.9800 10.2153 116.9385 56.5312 27.7778 175.5492 46 T 4.9339 7.6324 107.7132 59.9312 71.8266 172.7228 47 P 3.7068 0.0000 0.0000 65.6039 31.3130 176.8612 48 F 4.4787 8.1318 116.2285 57.1028 39.3340 175.1801 49 E 4.4097 8.6259 122.7405 57.2281 30.0218 175.8899 50 D 5.1278 9.1717 128.6032 54.7935 39.6088 175.2557 51 G 3.6264 7.8969 105.2295 46.8426 0.0000 172.4050 52 T 4.9739 7.6263 113.7382 59.6968 69.7855 172.9973 53 F 4.8618 8.6642 127.4502 56.9757 40.7601 174.6011 54 K 5.0004 9.3255 125.6181 55.1849 33.8845 175.2160 55 L 5.4852 9.3217 126.6830 53.0015 46.7767 175.3418 56 S 5.2172 8.8177 114.3433 56.6126 66.6083 172.8210 57 L 4.8653 8.6057 121.5999 52.8795 44.7468 174.8737 58 E 4.7188 8.6268 125.5584 54.7021 31.0353 174.7610 59 F 4.8697 8.8814 126.0404 56.2940 41.4483 175.5957 60 T 4.5572 8.2716 116.9446 61.8513 70.8826 174.7326 61 E 4.4128 8.6377 120.8398 57.1903 29.6444 176.5240 62 E 4.4347 7.9815 116.4683 57.0861 30.3987 175.4898 63 Y 4.7051 7.7862 121.9200 57.4139 38.9926 174.3531 64 P 3.8477 0.0000 0.0000 62.5485 31.9362 177.4035 65 N 4.4431 8.4228 118.3195 55.6529 38.6230 175.2566 66 K 4.5529 7.8599 117.7057 53.5268 34.3326 173.7677 67 P 3.5590 0.0000 0.0000 61.1670 31.9632 173.7948 68 P 4.3475 0.0000 0.0000 62.2690 33.1991 174.7914 69 T 4.4439 8.0143 109.1095 59.8402 71.3879 173.4036 70 V 4.7085 8.0737 123.6448 61.0330 34.8422 174.1706 71 K 5.1016 8.4243 124.9916 54.6073 36.6463 175.0734 72 F 4.7963 8.8288 122.3134 57.1104 39.3669 176.1368 73 I 4.0208 9.3879 126.3110 64.5956 37.2282 177.2958 74 S 4.3614 8.3299 115.7269 58.1551 63.3415 173.9958 75 K 4.1858 8.4035 123.1525 56.6271 32.5501 175.8200 76 M 4.5921 8.3077 124.0059 53.6310 35.3314 174.6248 77 F 4.6631 8.2697 124.5451 57.3061 41.2983 173.2932 78 H 4.5540 8.2342 125.4266 54.3768 32.6721 172.6622 79 P 4.4947 0.0000 0.0000 65.1570 31.4290 177.0022 80 N 4.9673 8.2662 114.5556 52.4935 39.3261 173.4858 81 V 4.6672 7.9809 117.8073 61.1581 34.2044 175.1600 82 Y 4.4989 9.0339 124.8297 56.8878 38.8476 176.2818 83 A 4.0229 8.8977 123.9966 55.4972 18.3185 178.2066 84 D 4.6752 8.2178 112.4668 53.2942 39.7580 177.3907 85 G 4.0959 8.6084 108.7349 45.5456 0.0000 173.7920 86 S 4.6792 8.2023 116.8256 58.7935 63.8705 173.3056 87 I 4.5732 8.2246 125.9636 60.3222 38.3229 175.1859 88 C 4.6272 8.8114 128.6078 57.8843 31.8002 172.4134 89 L 4.6803 7.9552 127.5993 52.8456 44.4910 175.8994 90 D 4.2109 8.2296 123.1816 58.4552 41.9097 178.4157 91 I 4.7008 7.6272 111.9278 62.4533 38.1501 177.3779 92 L 4.3329 7.8911 122.3220 56.3815 43.3998 176.4258 93 Q 4.6481 7.0710 116.2844 56.0525 29.0623 177.5574 94 N 4.0866 8.6544 124.3381 57.2130 39.7137 175.0553 95 R 4.6977 7.9782 117.4977 55.1495 30.4243 175.6371 96 W 5.3995 7.7977 126.3953 55.9266 32.3698 175.0103 97 S 3.8996 6.4311 116.5291 55.2327 64.3922 173.2025 98 P 4.2567 0.0000 0.0000 64.5196 31.3592 177.7992 99 T 3.8753 6.8447 114.6630 66.1714 68.5548 175.2165 100 Y 4.5028 6.6697 118.1241 58.0641 38.4486 175.3065 101 D 5.3933 8.2943 122.5700 49.5673 44.1754 176.6582 102 V 3.5470 8.2283 118.4687 66.4142 31.2109 177.8332 103 A 3.9787 8.1105 119.3174 55.1519 18.2331 179.1138 104 A 3.8418 8.5218 119.3494 55.4099 18.6277 179.5527 105 I 3.6469 8.0922 118.3790 64.8022 37.1546 178.4993 106 L 3.9730 8.4772 119.6306 58.1889 41.5798 179.8555 107 T 3.8676 8.3087 115.8979 66.6794 68.3100 176.8186 108 S 4.0765 8.0995 117.0228 61.8235 62.9716 176.8690 109 I 3.5928 7.5637 121.9612 64.2894 36.4985 178.1556 110 Q 3.9799 7.8444 120.3006 59.4704 28.8065 178.8144 111 S 4.1610 7.8756 115.7101 61.3904 62.6594 176.1301 112 L 3.8552 7.8887 122.3753 58.1438 41.7104 178.5278 113 L 3.5061 7.4472 120.2204 58.7763 41.6325 179.7816 114 D 4.7865 7.4910 121.7652 57.6329 41.1126 179.1146 115 E 4.8796 8.0339 115.4704 52.5133 30.2183 175.1647 116 P 4.3999 0.0000 0.0000 62.3131 32.2282 176.7661 117 N 4.6291 8.4171 119.9251 51.3558 38.1747 173.8275 118 P 4.1644 0.0000 0.0000 65.0613 31.7757 174.8488 119 N 4.0381 8.3221 117.0983 54.1437 38.3072 173.7229 120 S 3.5907 8.5951 115.5517 58.3954 61.1903 169.6101 121 P 4.3383 0.0000 0.0000 63.1659 32.0260 177.5368 122 A 3.7770 8.3579 123.9975 53.7986 18.6431 177.3434 123 N 4.8063 7.4577 114.1967 50.4269 39.4965 174.1902 124 S 4.1254 8.4465 120.1005 61.0296 63.1211 176.2009 125 L 3.9777 7.9473 123.0615 57.9470 41.9147 178.6314 126 A 3.8660 8.9344 120.9270 54.9005 18.1888 179.5275 127 A 3.8715 7.8909 119.2635 55.2968 18.5210 179.2619 128 Q 3.9313 8.5632 118.5259 59.6896 29.1474 179.2479 129 L 4.0846 7.9751 119.0953 57.9702 41.6621 178.4731 130 Y 3.6962 8.1104 118.6256 60.8356 38.5228 176.9242 131 Q 3.9349 8.2311 117.8896 56.4855 28.8152 176.7336 132 E 3.7247 7.5171 123.5885 59.6203 31.0087 177.8824 133 N 4.7707 8.2117 125.7118 52.0596 39.4738 175.8677 134 R 4.4714 8.2016 125.6543 59.3587 29.8768 176.6767 135 R 4.1064 7.8759 117.2857 60.3227 30.3345 178.0636 136 E 4.1881 10.5702 117.8805 58.1009 29.7108 177.4762 137 Y 4.2103 7.6181 118.7300 61.2862 38.9243 177.7304 138 E 3.9566 8.5818 121.6340 59.8329 29.3178 180.4425 139 K 3.9303 7.4779 123.0400 59.8243 31.8819 183.5075 140 R 3.7971 7.7879 119.6570 58.7287 29.7597 179.2906 141 V 3.2095 7.3558 118.0745 65.7596 31.3683 177.6370 142 Q 3.7551 8.0489 121.7907 60.0493 28.5590 179.2000 143 Q 3.8888 7.2182 120.2826 60.1537 28.3494 180.4301 144 I 4.0775 7.4654 123.4748 64.8717 37.2937 179.3242 145 V 3.4769 8.4029 121.4647 65.9782 30.7170 179.8790 146 E 2.5400 7.5327 118.2798 58.6457 29.1783 178.8107 147 Q 3.7023 7.5876 117.1168 59.5463 28.9690 178.4845 148 S 4.1366 7.3747 115.5946 61.5901 62.9824 178.0442 149 W 4.6701 6.8163 116.5729 56.8877 27.9931 176.0502 150 L 4.3151 8.8275 127.8258 55.2336 41.4553 175.9299 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 T 8.16 4.29 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 1.22 0.00 0.00 3 T 7.84 4.37 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 1.36 0.00 0.00 4 P 0.00 4.23 0.00 2.20 2.18 0.00 3.65 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.22 0.00 5 S 7.92 4.20 0.00 4.01 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 6 R 8.05 3.98 0.00 1.84 2.03 0.00 3.34 0.00 0.00 3.56 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.75 0.00 7 R 7.91 3.95 0.00 2.06 2.03 0.00 3.15 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.86 0.00 8 R 8.09 3.95 0.00 1.98 2.32 0.00 3.27 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.97 0.00 9 L 8.18 4.14 0.00 2.00 1.95 0.61 -0.63 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 10 M 8.60 4.27 0.00 2.13 2.33 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 2.77 2.53 0.00 11 R 8.16 4.04 0.00 1.83 1.94 0.00 3.28 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 12 D 8.89 4.71 0.00 3.06 2.85 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 13 F 8.82 4.39 0.00 3.39 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 14 K 8.43 3.81 0.00 2.10 1.97 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.55 7.81 15 K 8.05 3.93 0.00 2.06 1.86 0.00 1.78 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.62 7.81 16 L 7.52 3.88 0.00 1.83 1.77 0.96 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 17 Q 7.93 3.80 0.00 1.44 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.63 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 18 E 8.61 3.62 0.00 2.20 1.84 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 2.33 2.40 0.00 19 D 7.68 4.76 0.00 2.64 2.53 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 20 P 0.00 4.47 0.00 2.09 1.96 0.00 3.73 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 2.01 2.50 0.00 21 P 0.00 4.46 0.00 2.20 1.98 0.00 3.63 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 2.12 2.09 0.00 22 A 8.60 4.02 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 23 G 9.18 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 V 7.65 4.82 2.25 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 0.80 0.00 0.00 1.05 0.00 0.00 25 S 9.23 4.74 0.00 3.81 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.47 4.76 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 27 A 8.37 4.74 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 28 P 0.00 4.06 0.00 1.46 0.49 0.00 2.49 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.92 0.00 29 T 8.28 4.24 4.20 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 1.21 0.00 0.00 30 E 8.89 3.95 0.00 1.90 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 0.00 2.27 2.34 0.00 31 D 7.96 4.36 0.00 2.65 2.59 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 32 N 8.94 3.89 0.00 3.00 3.03 0.00 0.00 5.90 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 I 8.23 3.82 1.82 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.67 0.94 0.00 0.00 34 L 7.86 4.49 0.00 1.83 1.94 1.04 0.76 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 35 T 8.21 5.31 4.43 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 1.29 0.00 0.00 36 W 9.39 5.38 0.00 3.27 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 37 E 9.31 5.30 0.00 1.93 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 2.27 2.29 0.00 38 A 9.52 5.25 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 39 I 8.79 5.12 1.64 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.02 0.74 0.00 0.00 40 I 8.88 4.90 2.13 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 1.30 1.06 1.04 0.00 0.00 41 F 9.32 5.17 0.00 3.10 2.93 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 42 G 9.58 4.59 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 43 P 0.00 4.46 0.00 2.27 2.19 0.00 3.95 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.21 0.00 44 Q 8.79 4.15 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.96 0.00 0.00 0.00 0.00 0.00 2.37 2.60 0.00 45 E 10.22 3.98 0.00 2.02 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.10 0.00 46 T 7.63 4.93 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 47 P 0.00 3.71 0.00 2.08 2.34 0.00 4.01 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.36 0.00 48 F 8.13 4.48 0.00 3.43 3.43 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 49 E 8.63 4.41 0.00 2.11 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 0.00 2.40 2.35 0.00 50 D 9.17 5.13 0.00 3.07 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 51 G 7.90 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 52 T 7.63 4.97 4.50 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 1.64 0.00 0.00 53 F 8.66 4.86 0.00 3.38 3.21 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 54 K 9.33 5.00 0.00 1.94 1.79 0.00 1.64 0.00 0.00 1.71 0.00 0.00 3.10 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.47 7.81 55 L 9.32 5.49 0.00 1.53 1.41 1.10 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 56 S 8.82 5.22 0.00 3.87 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 57 L 8.61 4.87 0.00 1.65 1.05 0.93 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.63 4.72 0.00 1.95 1.63 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 2.15 2.23 0.00 59 F 8.88 4.87 0.00 2.95 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 60 T 8.27 4.56 4.28 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 1.39 0.00 0.00 61 E 8.64 4.41 0.00 1.95 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 2.32 2.43 0.00 62 E 7.98 4.43 0.00 2.13 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 2.38 2.32 0.00 63 Y 7.79 4.71 0.00 3.14 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 0.00 64 P 0.00 3.85 0.00 2.07 1.26 0.00 3.66 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.75 0.00 65 N 8.42 4.44 0.00 2.98 2.99 0.00 0.00 6.66 7.16 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 66 K 7.86 4.55 0.00 1.69 1.68 0.00 1.83 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.16 1.30 7.81 67 P 0.00 3.56 0.00 1.29 0.49 0.00 3.48 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.44 0.00 68 P 0.00 4.35 0.00 0.86 0.49 0.00 3.08 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.10 0.00 69 T 8.01 4.44 4.09 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 0.00 0.00 0.00 1.06 0.00 0.00 70 V 8.07 4.71 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 0.78 0.00 0.00 0.67 0.00 0.00 71 K 8.42 5.10 0.00 1.68 1.62 0.00 1.68 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.41 1.33 7.81 72 F 8.83 4.80 0.00 2.94 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 73 I 9.39 4.02 2.08 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 1.29 0.80 0.98 0.00 0.00 74 S 8.33 4.36 0.00 4.13 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.40 4.19 0.00 1.71 1.71 0.00 1.64 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.49 7.81 76 M 8.31 4.59 0.00 1.79 1.25 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.67 0.00 77 F 8.27 4.66 0.00 2.78 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 78 H 8.23 4.55 0.00 3.14 2.95 0.00 5.76 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 P 0.00 4.49 0.00 1.88 1.92 0.00 2.84 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 1.62 1.99 0.00 80 N 8.27 4.97 0.00 2.70 2.83 0.00 0.00 6.55 7.68 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 81 V 7.98 4.67 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 1.07 0.00 0.00 0.98 0.00 0.00 82 Y 9.03 4.50 0.00 3.10 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 83 A 8.90 4.02 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 84 D 8.22 4.68 0.00 2.81 2.78 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 85 G 8.61 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 86 S 8.20 4.68 0.00 4.06 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 87 I 8.22 4.57 1.72 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.46 0.81 0.00 0.00 88 C 8.81 4.63 0.00 2.81 2.82 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 89 L 7.96 4.68 0.00 1.64 1.39 0.89 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 90 D 8.23 4.21 0.00 2.80 2.59 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 91 I 7.63 4.70 2.17 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.47 0.97 0.00 0.00 92 L 7.89 4.33 0.00 1.71 1.67 0.82 0.43 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 93 Q 7.07 4.65 0.00 2.13 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.41 0.00 0.00 0.00 0.00 0.00 2.31 2.46 0.00 94 N 8.65 4.09 0.00 2.70 2.88 0.00 0.00 6.71 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 95 R 7.98 4.70 0.00 2.16 1.97 0.00 3.20 0.00 0.00 3.55 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 96 W 7.80 5.40 0.00 3.44 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 97 S 6.43 3.90 0.00 2.81 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 98 P 0.00 4.26 0.00 1.85 1.96 0.00 3.36 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.93 0.00 99 T 6.84 3.88 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 1.13 0.00 0.00 100 Y 6.67 4.50 0.00 2.42 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 0.00 101 D 8.29 5.39 0.00 3.17 2.83 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 0.00 0.00 0.00 0.00 102 V 8.23 3.55 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 0.82 0.00 0.00 0.35 0.00 0.00 103 A 8.11 3.98 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 0.00 104 A 8.52 3.84 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 0.00 0.00 0.00 0.00 0.00 105 I 8.09 3.65 2.05 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.53 0.85 0.00 0.00 106 L 8.48 3.97 0.00 2.01 1.73 0.90 0.88 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 0.00 107 T 8.31 3.87 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 0.00 108 S 8.10 4.08 0.00 3.96 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 0.00 109 I 7.56 3.59 1.79 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.12 0.80 0.00 0.00 110 Q 7.84 3.98 0.00 2.20 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.82 0.00 0.00 0.00 0.00 0.00 2.40 2.49 0.00 111 S 7.88 4.16 0.00 4.03 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 0.00 112 L 7.89 3.86 0.00 1.63 1.77 0.91 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 113 L 7.45 3.51 0.00 1.60 1.26 0.26 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 114 D 7.49 4.79 0.00 2.72 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 0.00 115 E 8.03 4.88 0.00 1.90 1.73 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 2.14 2.07 0.00 116 P 0.00 4.40 0.00 1.67 1.52 0.00 3.39 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 0.76 0.71 0.00 117 N 8.42 4.63 0.00 2.87 2.82 0.00 0.00 7.01 7.03 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 0.00 118 P 0.00 4.16 0.00 2.21 2.27 0.00 3.78 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 119 N 8.32 4.04 0.00 2.67 2.83 0.00 0.00 7.21 7.63 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 0.00 120 S 8.60 3.59 0.00 4.10 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 0.00 121 P 0.00 4.34 0.00 2.11 2.00 0.00 3.73 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.92 0.00 122 A 8.36 3.78 0.01 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 0.00 0.00 123 N 7.46 4.81 0.00 2.73 2.55 0.00 0.00 6.97 7.53 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 0.00 124 S 8.45 4.13 0.00 4.09 4.12 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 0.00 125 L 7.95 3.98 0.00 1.85 1.96 1.03 1.48 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 0.00 126 A 8.93 3.87 0.76 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 0.00 127 A 7.89 3.87 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 0.00 128 Q 8.56 3.93 0.00 2.24 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.78 0.00 0.00 0.00 0.00 0.00 2.41 2.52 0.00 129 L 7.98 4.08 0.00 2.15 2.12 1.16 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 130 Y 8.11 3.70 0.00 2.40 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 0.00 131 Q 8.23 3.93 0.00 2.24 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.61 0.00 0.00 0.00 0.00 0.00 2.31 2.54 0.00 132 E 7.52 3.72 0.00 2.26 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 2.37 2.33 0.00 133 N 8.21 4.77 0.00 2.76 2.70 0.00 0.00 7.50 7.53 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 0.00 134 R 8.20 4.47 0.00 1.86 1.91 0.00 3.30 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.28 0.00 135 R 7.88 4.11 0.00 2.03 2.02 0.00 3.26 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.64 0.00 136 E 10.57 4.19 0.00 2.11 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 2.25 2.28 0.00 137 Y 7.62 4.21 0.00 3.30 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 0.00 138 E 8.58 3.96 0.00 2.06 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 2.53 2.75 0.00 139 K 7.48 3.93 0.00 1.88 1.82 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.35 7.81 140 R 7.79 3.80 0.00 1.19 0.87 0.00 2.21 0.00 0.00 2.52 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.39 0.00 141 V 7.36 3.21 1.57 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 -0.36 0.00 0.00 0.21 0.00 0.00 142 Q 8.05 3.76 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 6.57 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 143 Q 7.22 3.89 0.00 2.18 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 144 I 7.47 4.08 1.87 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.53 1.14 0.00 0.00 145 V 8.40 3.48 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 0.78 0.00 0.00 0.93 0.00 0.00 146 E 7.53 2.54 0.00 2.00 1.67 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 2.23 2.06 0.00 147 Q 7.59 3.70 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.46 0.00 0.00 0.00 0.00 0.00 2.49 2.47 0.00 148 S 7.37 4.14 0.00 3.44 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 0.00 149 W 6.82 4.67 0.00 3.28 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 0.00 150 L 8.83 4.32 0.00 1.74 1.61 0.94 0.85 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