NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.5090 8.3193 116.8036 59.0890 64.9124 174.7711 1 T 4.1265 7.7880 108.6096 62.3259 69.7467 171.8882 2 T 5.0264 7.6955 117.0520 60.4359 70.8694 173.6174 3 F 4.9948 8.0813 121.4070 56.0400 42.1949 172.3204 4 N 5.3478 8.6842 116.6340 51.4858 39.9934 175.0962 5 I 4.1749 8.4099 125.9925 61.7180 37.0799 176.2396 6 Q 4.3143 9.0982 126.7221 58.0108 29.6932 175.5373 7 D 4.6757 7.7761 115.6621 51.4116 42.9134 176.1889 8 G 3.8763 8.6038 105.4662 48.1607 0.0000 173.8225 9 P 4.3688 0.0000 0.0000 64.7501 31.2568 178.2733 10 D 4.3149 8.6560 117.0924 57.2524 41.2063 177.8965 11 F 4.0322 8.3157 121.1124 61.5748 39.4404 176.8274 12 Q 4.0218 8.3132 119.0194 59.1143 28.5726 177.8715 13 D 4.1883 8.0146 118.0565 57.2729 41.5651 177.8510 14 R 4.2168 7.9689 115.6694 57.0407 30.9233 177.0193 15 V 3.9721 7.4078 116.5046 63.9868 32.8674 177.3238 16 V 3.5670 7.0360 117.1690 66.0423 31.5309 177.3679 17 N 4.6094 7.7138 113.1325 52.6985 38.6529 175.0811 18 S 4.0309 7.4665 113.6957 58.9165 62.4395 174.3096 19 E 4.1030 8.8160 126.8399 58.1909 29.6579 176.4155 20 T 4.6449 7.1813 113.0723 59.3247 69.8156 172.4382 21 P 4.6322 0.0000 0.0000 62.8645 33.0054 175.4596 22 V 4.8393 8.5363 121.6176 61.2993 35.0567 174.4675 23 V 4.7130 8.5095 121.0572 60.0330 33.7441 174.9668 24 V 4.4270 8.8852 126.2270 61.2751 33.5026 174.0964 25 D 5.0098 8.5670 129.6617 52.8014 42.1480 175.1549 26 F 4.9745 9.1859 127.1044 57.1775 40.2002 174.8891 27 H 5.3067 9.0361 118.6551 53.9957 32.6449 171.8484 28 A 4.4811 7.7042 117.5455 50.5759 21.6691 177.6373 29 Q 3.8663 8.5415 119.7258 58.7062 28.9557 178.0703 30 W 4.2794 7.6717 112.0056 57.5872 28.0384 175.0942 31 C 4.5039 7.4018 121.2889 57.8107 31.6036 174.0042 32 G 3.7260 8.9062 114.7847 47.7572 0.0000 172.7613 33 P 4.3241 0.0000 0.0000 65.2250 31.4026 178.4123 34 C 4.1339 7.7484 114.5631 62.7079 27.7334 176.2044 35 K 4.0085 7.7915 118.9511 58.9060 31.2690 179.0486 36 I 4.0001 7.5449 119.7159 63.7713 37.4600 177.7123 37 L 4.0316 8.0224 121.1557 58.5996 42.0521 178.6048 38 G 3.8162 7.8869 104.3286 48.1949 0.0000 173.4517 39 P 4.2459 0.0000 0.0000 64.8044 31.5426 178.8983 40 R 3.8830 7.6918 116.7257 59.3081 29.9455 178.3817 41 L 4.0243 8.3292 120.5971 57.9169 42.0358 178.7714 42 E 3.9094 8.1273 118.7820 59.0892 29.2641 179.0913 43 K 3.8609 7.8789 119.2505 60.0171 32.1019 178.8234 44 M 4.0852 7.8650 117.3847 58.2938 32.1212 178.6821 45 V 3.7292 8.2684 118.7642 65.8278 31.7433 177.9906 46 A 4.0602 8.0453 120.9419 54.6940 18.0439 178.9073 47 K 4.1343 7.5982 114.4078 57.9798 33.1977 177.4514 48 Q 4.2120 7.8892 119.4571 55.6358 29.1940 175.3292 49 H 3.9961 8.6140 114.0063 57.2566 26.5388 175.2300 50 G 4.0181 8.1292 101.5299 46.3572 0.0000 174.4599 51 K 4.2031 8.0594 120.3301 58.1343 32.3400 177.5071 52 V 4.8271 7.4221 116.3551 60.0590 34.6693 175.0122 53 V 4.7374 8.4381 113.9773 59.8229 36.2861 174.0092 54 M 5.0599 8.7353 121.9123 53.6709 35.0691 174.0502 55 A 3.9979 8.3710 127.9281 49.8426 21.4764 175.5001 56 K 4.5099 8.7336 123.2900 55.7657 34.2411 176.5095 57 V 4.3235 8.4359 124.0801 60.6984 34.4153 174.3208 58 D 4.5069 8.5976 128.7349 53.8150 41.3391 176.5878 59 I 3.9436 8.5459 128.5785 64.1008 38.2609 177.7455 60 D 4.5122 7.9922 119.2188 56.5046 40.7139 176.3951 61 D 4.7128 7.7990 116.0432 54.4610 42.1278 175.6776 62 H 5.0802 7.8583 114.7820 54.4704 30.0050 174.6880 63 T 3.9585 8.2499 119.3214 67.0050 68.6220 175.6063 64 D 4.3326 8.0866 120.1197 56.7688 39.4235 178.6547 65 L 3.9802 7.9602 120.2584 57.0834 41.5759 179.2372 66 A 3.8297 8.0939 120.4666 55.0627 17.8914 179.8309 67 I 3.6291 7.8126 118.4881 64.2036 36.9481 177.9890 68 E 3.8103 8.0178 119.2939 59.3285 29.5105 177.8333 69 Y 4.4707 7.5563 112.4961 56.7529 38.4777 175.2023 70 E 3.6237 7.6294 117.8348 57.2866 27.4075 175.0923 71 V 3.6323 7.7879 119.7219 62.5994 31.2878 175.4683 72 S 4.6358 8.4931 120.8397 58.0585 64.0927 173.6278 73 A 4.7491 7.5221 122.2993 51.1352 21.8663 175.6382 74 V 4.5845 8.0752 113.2851 58.5100 34.7174 174.1808 75 P 4.7322 0.0000 0.0000 63.2559 32.8706 175.1251 76 T 4.8824 8.5153 118.0541 61.7600 72.4646 172.8236 77 V 4.5792 8.0585 126.1028 60.9189 34.1559 173.9845 78 L 5.1539 8.6151 127.7664 52.8739 44.2016 175.5183 79 A 4.8545 9.1764 127.0171 51.8522 20.1484 176.0574 80 M 5.3523 9.4231 121.4279 53.4586 36.9314 174.5285 81 K 4.7263 8.7650 121.8003 54.8690 35.5098 176.3416 82 N 4.9175 9.2244 122.8902 53.4293 36.0388 175.5734 83 G 4.0647 8.3166 103.6898 45.9305 0.0000 173.6169 84 D 4.8735 7.7846 120.5491 52.6068 42.1504 175.9475 85 V 4.3180 8.5242 124.0623 63.0295 31.9109 175.7234 86 V 4.3718 8.0132 119.8205 61.6438 33.2173 175.1377 87 D 4.7614 7.8941 118.1394 53.7209 44.4246 173.9171 88 K 5.3734 8.7617 121.2322 56.5466 35.7665 174.2128 89 F 5.0148 8.4140 114.0229 55.8666 41.3318 173.1832 90 V 4.5471 8.8297 119.6092 62.6424 34.0577 176.1382 91 G 3.8852 8.6482 113.2804 44.4413 0.0000 172.5356 92 I 4.2033 7.9124 118.7651 60.5175 38.0642 175.6055 93 K 4.5856 8.0394 122.7541 53.9054 35.3601 176.3914 94 D 4.6252 8.4455 122.3526 52.8169 41.5894 177.5037 95 E 3.9500 8.5414 118.8559 59.6079 29.3506 179.4003 96 D 4.3231 8.0492 118.4568 57.5133 41.0715 178.6450 97 Q 3.9886 8.5137 118.6165 58.8776 28.6534 178.8973 98 L 3.9838 7.7921 120.1261 57.3495 41.6835 178.9056 99 E 3.9273 8.4667 119.3905 59.4395 29.6714 178.8831 100 A 4.0226 8.0392 120.7114 54.9580 18.5008 179.4801 101 F 4.1111 8.2457 119.1334 61.5464 39.5879 177.5442 102 L 4.0966 8.2875 118.6890 57.7152 41.2589 179.6935 103 K 4.0294 8.3140 118.6840 59.0962 31.7288 179.3992 104 K 3.9003 7.7424 119.1730 59.2787 32.2107 178.2210 105 L 3.9502 7.2931 119.0409 58.2928 42.0163 178.8246 106 I 3.9863 7.4172 118.1374 64.0508 37.2259 176.8528 107 G 3.8570 7.6348 109.9629 44.9700 0.0000 173.2166 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 0 S 8.32 4.51 0.00 3.91 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 1 T 7.79 4.13 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 1.25 0.00 0.00 2 T 7.70 5.03 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 3 F 8.08 4.99 0.00 3.14 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 4 N 8.68 5.35 0.00 2.67 2.82 0.00 0.00 6.94 7.45 0.00 0.00 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 I 8.41 4.17 1.90 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.84 0.98 0.00 0.00 6 Q 9.10 4.31 0.00 2.10 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.69 0.00 0.00 0.00 0.00 0.00 2.52 2.46 0.00 7 D 7.78 4.68 0.00 2.93 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 8 G 8.60 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 9 P 0.00 4.37 0.00 2.20 2.15 0.00 3.80 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 2.14 2.18 0.00 10 D 8.66 4.31 0.00 3.01 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 11 F 8.32 4.03 0.00 3.23 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 12 Q 8.31 4.02 0.00 2.34 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.61 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 13 D 8.01 4.19 0.00 2.76 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 14 R 7.97 4.22 0.00 1.88 1.81 0.00 3.11 0.00 0.00 2.92 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.37 0.00 15 V 7.41 3.97 0.74 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 0.61 0.00 0.00 0.66 0.00 0.00 16 V 7.04 3.57 2.26 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 0.98 0.00 0.00 1.02 0.00 0.00 17 N 7.71 4.61 0.00 3.02 2.80 0.00 0.00 7.03 7.56 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 18 S 7.47 4.03 0.00 4.04 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 19 E 8.82 4.10 0.00 1.99 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 2.30 2.28 0.00 20 T 7.18 4.64 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 21 P 0.00 4.63 0.00 2.09 1.93 0.00 3.81 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 2.09 2.07 0.00 22 V 8.54 4.84 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 0.85 0.00 0.00 0.97 0.00 0.00 23 V 8.51 4.71 2.14 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 0.88 0.00 0.00 1.00 0.00 0.00 24 V 8.89 4.43 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 0.65 0.00 0.00 0.87 0.00 0.00 25 D 8.57 5.01 0.00 2.73 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 F 9.19 4.97 0.00 3.07 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 27 H 9.04 5.31 0.00 3.11 3.28 0.00 5.47 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 28 A 7.70 4.48 -0.05 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 0.00 0.00 29 Q 8.54 3.87 0.00 2.09 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.99 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 30 W 7.67 4.28 0.00 3.50 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 31 C 7.40 4.50 0.00 2.15 2.60 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 0.00 0.00 0.00 0.00 32 G 8.91 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 33 P 0.00 4.32 0.00 2.17 2.13 0.00 3.62 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 2.20 0.00 34 C 7.75 4.13 0.00 3.08 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 K 7.79 4.01 0.00 1.88 1.86 0.00 1.84 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.45 7.81 36 I 7.54 4.00 1.99 0.00 0.00 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 1.51 1.33 0.90 0.00 0.00 37 L 8.02 4.03 0.00 1.79 1.65 1.01 1.09 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 38 G 7.89 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 39 P 0.00 4.25 0.00 2.14 2.10 0.00 3.69 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 2.24 2.12 0.00 40 R 7.69 3.88 0.00 1.98 2.05 0.00 3.18 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 41 L 8.33 4.02 0.00 1.93 1.74 0.90 0.96 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 42 E 8.13 3.91 0.00 2.22 1.96 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 2.28 2.25 0.00 43 K 7.88 3.86 0.00 1.85 2.01 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.48 7.81 44 M 7.87 4.09 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.88 0.00 45 V 8.27 3.73 2.15 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 1.04 0.00 0.00 0.98 0.00 0.00 46 A 8.05 4.06 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 K 7.60 4.13 0.00 1.78 1.89 0.00 1.58 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.63 1.49 7.81 48 Q 7.89 4.21 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.30 0.00 0.00 0.00 0.00 0.00 2.51 2.48 0.00 49 H 8.61 4.00 0.00 3.28 3.29 0.00 5.80 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 G 8.13 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 51 K 8.06 4.20 0.00 1.86 1.89 0.00 1.67 0.00 0.00 1.82 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.43 7.81 52 V 7.42 4.83 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 0.75 0.00 0.00 0.97 0.00 0.00 53 V 8.44 4.74 2.33 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 0.86 0.00 0.00 1.06 0.00 0.00 54 M 8.74 5.06 0.00 1.88 1.78 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.24 0.00 55 A 8.37 4.00 1.02 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 56 K 8.73 4.51 0.00 1.72 1.58 0.00 1.42 0.00 0.00 1.43 0.00 0.00 2.70 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.24 1.33 7.81 57 V 8.44 4.32 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 0.00 0.00 0.65 0.00 0.00 0.46 0.00 0.00 58 D 8.60 4.51 0.00 2.61 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.55 3.94 2.00 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 1.43 1.45 1.03 0.00 0.00 60 D 7.99 4.51 0.00 2.92 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 61 D 7.80 4.71 0.00 2.59 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 H 7.86 5.08 0.00 3.28 3.19 0.00 5.70 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 63 T 8.25 3.96 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 1.23 0.00 0.00 64 D 8.09 4.33 0.00 2.86 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 65 L 7.96 3.98 0.00 2.02 1.94 0.58 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.09 3.83 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 67 I 7.81 3.63 1.96 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.99 0.88 0.00 0.00 68 E 8.02 3.81 0.00 1.91 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 0.00 1.47 2.05 0.00 69 Y 7.56 4.47 0.00 3.11 2.92 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 70 E 7.63 3.62 0.00 2.12 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 2.20 2.20 0.00 71 V 7.79 3.63 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 -0.05 0.00 0.00 72 S 8.49 4.64 0.00 3.98 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 73 A 7.52 4.75 1.24 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 0.00 0.00 74 V 8.08 4.58 1.96 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 0.80 0.00 0.00 0.61 0.00 0.00 75 P 0.00 4.73 0.00 2.19 2.15 0.00 3.39 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.10 0.00 76 T 8.52 4.88 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 1.07 0.00 0.00 77 V 8.06 4.58 0.67 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 0.76 0.00 0.00 0.51 0.00 0.00 78 L 8.62 5.15 0.00 1.64 1.55 0.94 0.32 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 79 A 9.18 4.85 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 80 M 9.42 5.35 0.00 1.88 1.87 0.00 0.00 0.00 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.48 0.00 81 K 8.76 4.73 0.00 1.67 1.67 0.00 1.80 0.00 0.00 1.64 0.00 0.00 2.82 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.36 7.81 82 N 9.22 4.92 0.00 2.85 2.89 0.00 0.00 7.29 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 83 G 8.32 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 D 7.78 4.87 0.00 2.93 2.65 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 0.00 0.00 0.00 0.00 85 V 8.52 4.32 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 0.87 0.00 0.00 1.17 0.00 0.00 86 V 8.01 4.37 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 0.70 0.00 0.00 0.88 0.00 0.00 87 D 7.89 4.76 0.00 2.56 2.29 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 88 K 8.76 5.37 0.00 1.83 1.79 0.00 1.68 0.00 0.00 1.79 0.00 0.00 2.81 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.51 7.81 89 F 8.41 5.01 0.00 3.03 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 90 V 8.83 4.55 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.92 0.00 0.00 91 G 8.65 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 0.00 0.00 0.00 92 I 7.91 4.20 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.61 0.88 0.00 0.00 93 K 8.04 4.59 0.00 1.19 1.39 0.00 1.54 0.00 0.00 1.52 0.00 0.00 2.88 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.47 0.21 7.81 94 D 8.45 4.63 0.00 2.93 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 95 E 8.54 3.95 0.00 2.01 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 2.38 2.38 0.00 96 D 8.05 4.32 0.00 2.79 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 97 Q 8.51 3.99 0.00 2.13 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.83 0.00 0.00 0.00 0.00 0.00 2.31 2.44 0.00 98 L 7.79 3.98 0.00 1.82 1.71 0.89 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 99 E 8.47 3.93 0.00 2.14 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 2.31 2.39 0.00 100 A 8.04 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 0.00 101 F 8.25 4.11 0.00 3.22 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 0.00 102 L 8.29 4.10 0.00 1.96 1.75 0.98 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 103 K 8.31 4.03 0.00 1.98 1.85 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.44 7.81 104 K 7.74 3.90 0.00 1.88 1.82 0.00 1.79 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.40 7.81 105 L 7.29 3.95 0.00 1.47 1.77 0.83 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 106 I 7.42 3.99 1.85 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.71 0.90 0.00 0.00 107 G 7.63 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 0.00 0.00 0.00