NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 M 4.0321 8.1585 120.3181 55.5485 34.3035 177.1747 12 A 4.0574 7.9011 121.5476 54.0665 18.0251 175.9474 13 E 3.8907 8.3788 116.9208 59.9145 30.0533 178.1882 14 V 3.6351 7.6707 117.3513 65.9982 31.2710 177.7321 15 E 3.9634 8.1050 118.5531 59.2675 28.8379 178.8965 16 E 3.9503 8.6168 119.8810 59.4477 29.7406 178.8440 17 T 3.7987 7.8081 115.4844 65.8023 68.5799 177.1325 18 L 3.9853 7.7555 121.4064 57.5398 41.7724 179.2567 19 K 3.8529 7.8398 118.0326 59.6384 31.8382 179.2590 20 R 3.8950 7.2616 116.8526 59.3436 30.2303 178.2023 21 L 4.1281 7.8352 118.5280 58.1479 41.5384 179.6618 22 Q 4.0270 8.4182 116.5260 58.7289 28.6488 178.7003 23 S 4.3568 7.8053 115.3845 59.1589 63.2273 174.1652 24 Q 4.5646 7.2211 118.8117 53.9494 30.4680 175.2099 25 K 4.1733 8.1982 120.1028 56.5771 33.4492 175.3000 26 G 4.2782 9.0030 112.2753 45.7818 0.0000 174.4059 27 V 3.9262 7.4931 118.6081 63.2840 31.7352 175.4167 28 Q 4.3081 9.5161 126.4963 55.2227 29.2590 176.3221 29 G 4.5273 7.0729 114.5162 45.2586 0.0000 170.7670 30 I 4.7923 7.6738 124.5564 59.5037 40.0347 174.8164 31 I 4.8685 8.4309 124.9103 59.5259 41.7783 174.7724 32 V 4.5372 9.1122 125.3230 61.4136 33.9965 174.3723 33 V 4.8489 8.3376 126.6285 61.5310 33.5409 175.2026 34 N 5.0305 8.0821 121.8163 51.9852 40.8689 175.7117 35 T 4.1928 8.2901 107.7235 64.7062 69.3717 175.7088 36 E 4.0395 8.0834 121.2978 59.1521 29.7985 176.9123 37 G 3.9911 7.0427 106.2943 45.4105 0.0000 173.2670 38 I 4.2992 7.8350 122.0122 58.6106 37.8077 173.9899 39 P 5.4385 0.0000 0.0000 61.3999 28.9418 175.3949 40 I 3.8807 8.0628 120.4627 64.4375 38.1432 176.7895 41 K 4.7331 7.6330 119.6282 54.6662 36.5213 175.4854 42 S 5.0202 8.2513 114.4018 57.9702 64.5798 174.8765 43 T 4.5139 8.3679 115.1915 62.1431 70.6616 174.5022 44 M 4.1865 7.7219 120.9622 54.7130 33.1944 175.3491 45 D 4.5955 8.1619 118.2851 53.8570 43.6024 176.6778 46 N 4.2576 8.5462 119.6861 56.4287 38.7903 175.0065 47 P 4.3520 0.0000 0.0000 65.9339 31.6790 178.3203 48 T 3.9946 7.7063 115.2318 66.2835 68.4474 176.9840 49 T 3.8456 8.1473 118.1825 66.8920 68.6100 176.8750 50 T 3.8947 7.6818 117.1344 66.7580 68.4860 176.3681 51 Q 3.9665 7.8893 121.1002 59.4146 29.1819 177.7361 52 Y 3.9024 8.1702 117.0857 61.2352 37.8218 178.7476 53 A 4.2119 8.5227 119.8365 54.5618 18.4482 179.7388 54 S 4.2686 7.7673 113.8938 61.6580 63.4613 176.3599 55 L 4.1926 8.0792 121.4845 58.1824 40.3052 177.8599 56 M 3.9985 8.1380 119.9470 59.4071 32.0904 177.2074 57 H 4.0713 8.2321 117.4827 59.5424 30.0234 177.3281 58 S 4.1445 7.7724 113.2633 60.6981 62.1360 175.9493 59 F 4.3894 8.3418 124.1297 61.4761 39.2613 177.1632 60 I 3.2644 7.4154 118.8317 64.2672 37.0462 178.3699 61 L 4.1684 7.7137 119.5097 57.0961 40.9884 179.6199 62 K 3.9498 7.5535 119.8773 59.3370 32.2995 178.8042 63 A 4.0355 7.5535 122.2625 54.7072 17.8467 179.4645 64 R 3.9674 8.2446 117.5761 59.6793 29.7509 178.4864 65 S 3.8904 7.4556 110.7730 60.9282 62.5084 175.8805 66 T 4.0959 7.4137 118.3867 66.3199 68.4665 176.9522 67 V 3.5685 8.2357 120.4319 66.2740 29.7922 178.1178 68 R 3.9638 7.5618 117.2724 59.1424 29.5717 178.3064 69 D 4.6383 8.2875 117.6026 56.9643 41.2995 177.8349 70 I 3.8325 7.5608 119.8269 63.2059 37.3324 175.7354 71 D 4.4599 6.3966 115.4948 53.2233 45.3585 174.8951 72 P 4.2504 0.0000 0.0000 65.7289 31.5301 176.8146 73 Q 4.2881 7.6516 119.7408 54.5991 28.8152 174.2873 74 N 4.1213 8.0018 120.1441 53.6424 41.4706 173.0665 75 D 4.2747 8.2120 115.0502 53.2420 43.5970 175.4357 76 L 4.2057 8.6033 127.3842 55.6049 42.1919 177.1183 77 T 4.6124 8.0681 113.8853 61.3721 68.7945 172.7832 78 F 4.4191 7.6962 117.0625 57.3212 42.5553 173.2335 79 L 4.8353 9.2071 126.0430 53.2478 44.6386 174.9735 80 R 5.0031 8.7940 123.8220 54.5009 32.3671 175.4941 81 I 4.4911 8.3010 125.8170 59.3559 40.5800 174.2312 82 R 4.2447 8.6552 128.2964 56.5045 30.4676 175.7858 83 S 4.9109 8.0308 123.5388 57.0411 65.5645 173.4926 84 K 4.3033 8.4567 118.3434 58.2653 32.6620 178.1875 85 K 4.1991 7.9105 117.3302 58.0464 32.3427 175.9075 86 N 4.2868 7.3394 113.9695 52.5903 39.9726 172.9462 87 E 4.7955 8.4645 120.9050 54.8370 31.5445 174.4784 88 I 4.8370 8.1957 127.3211 59.9204 39.5888 174.2206 89 M 5.0111 8.5585 125.4908 53.5998 33.6445 175.3531 90 V 5.4823 9.5863 121.4618 60.8392 35.4234 173.4709 91 A 5.1186 8.4090 126.8365 49.5076 23.0741 173.2809 92 P 4.5555 0.0000 0.0000 63.1537 32.0718 175.4710 93 D 4.8008 7.6372 124.3498 51.9615 43.7689 174.8505 94 K 3.8856 7.9740 117.4462 59.5239 31.8562 178.7758 95 D 4.4807 7.0381 112.6694 53.6737 40.4438 173.4322 96 Y 4.7878 6.6962 117.2788 56.2467 42.5189 173.4599 97 F 4.9218 9.4661 118.3013 55.5117 41.4300 174.9179 98 L 4.4287 8.3354 127.1821 54.9394 43.7121 175.8381 99 I 4.8646 8.4983 125.9149 59.7882 40.9545 174.4437 100 V 4.4795 8.6903 128.4462 61.3318 33.4657 174.2601 101 I 4.9823 7.8437 128.9643 59.8777 39.5223 175.1617 102 Q 4.9576 8.4971 123.6450 55.2724 32.2963 172.9261 103 N 4.8352 8.4654 117.3476 52.7293 39.2521 173.8373 104 P 4.4876 0.0000 0.0000 63.1478 32.1962 176.1123 105 T 4.4408 7.8974 109.7507 62.2147 70.5613 174.3284 106 E 4.2521 7.9565 124.8011 56.2681 30.3712 175.2952 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 11 M 8.16 4.03 0.00 1.97 1.96 0.00 0.00 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 12 A 7.90 4.06 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 13 E 8.38 3.89 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 14 V 7.67 3.64 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 1.06 0.00 0.00 0.82 0.00 0.00 15 E 8.10 3.96 0.00 2.22 1.95 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 2.29 2.38 0.00 16 E 8.62 3.95 0.00 2.18 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 2.30 2.34 0.00 17 T 7.81 3.80 4.37 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 1.23 0.00 0.00 18 L 7.76 3.99 0.00 2.01 1.70 0.96 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.84 3.85 0.00 1.87 1.87 0.00 1.55 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.50 7.81 20 R 7.26 3.89 0.00 1.74 1.97 0.00 3.32 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 21 L 7.84 4.13 0.00 2.09 1.71 1.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 22 Q 8.42 4.03 0.00 2.14 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.00 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 23 S 7.81 4.36 0.00 4.17 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 24 Q 7.22 4.56 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.98 0.00 0.00 0.00 0.00 0.00 2.55 2.40 0.00 25 K 8.20 4.17 0.00 1.74 1.75 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.42 1.38 7.81 26 G 9.00 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 0.00 0.00 0.00 0.00 27 V 7.49 3.93 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 1.01 0.00 0.00 0.95 0.00 0.00 28 Q 9.52 4.31 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.87 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 29 G 7.07 4.53 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 0.00 30 I 7.67 4.79 1.87 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 1.24 1.31 1.01 0.00 0.00 31 I 8.43 4.87 1.96 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 1.09 0.78 1.01 0.00 0.00 32 V 9.11 4.54 2.12 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 0.80 0.00 0.00 0.91 0.00 0.00 33 V 8.34 4.85 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 1.01 0.00 0.00 1.04 0.00 0.00 34 N 8.08 5.03 0.00 2.85 2.78 0.00 0.00 6.99 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 35 T 8.29 4.19 4.23 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 1.12 0.00 0.00 36 E 8.08 4.04 0.00 1.99 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 0.00 2.32 2.31 0.00 37 G 7.04 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 38 I 7.84 4.30 1.88 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 1.48 1.21 0.92 0.00 0.00 39 P 0.00 5.44 0.00 2.19 2.13 0.00 3.41 0.00 0.00 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.93 0.00 40 I 8.06 3.88 1.81 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 1.53 0.57 0.94 0.00 0.00 41 K 7.63 4.73 0.00 1.58 1.64 0.00 1.69 0.00 0.00 1.72 0.00 0.00 2.78 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.30 7.81 42 S 8.25 5.02 0.00 3.81 3.65 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 43 T 8.37 4.51 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 1.19 0.00 0.00 44 M 7.72 4.19 0.00 1.77 1.89 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 45 D 8.16 4.60 0.00 2.65 2.50 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 0.00 46 N 8.55 4.26 0.00 2.81 2.79 0.00 0.00 6.62 7.70 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 47 P 0.00 4.35 0.00 2.31 2.30 0.00 3.63 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 2.06 2.05 0.00 48 T 7.71 3.99 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 0.78 0.00 0.00 49 T 8.15 3.85 4.36 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 1.22 0.00 0.00 50 T 7.68 3.89 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 1.23 0.00 0.00 51 Q 7.89 3.97 0.00 2.13 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.17 0.00 0.00 0.00 0.00 0.00 2.38 2.59 0.00 52 Y 8.17 3.90 0.00 3.31 3.04 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 0.00 0.00 0.00 0.00 53 A 8.52 4.21 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 54 S 7.77 4.27 0.00 4.10 3.95 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 55 L 8.08 4.19 0.00 1.87 1.87 0.72 0.43 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 56 M 8.14 4.00 0.00 2.15 2.27 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.75 0.00 57 H 8.23 4.07 0.00 3.29 3.34 0.00 5.74 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 58 S 7.77 4.14 0.00 4.00 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 59 F 8.34 4.39 0.00 3.10 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 60 I 7.42 3.26 1.44 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 -0.36 0.81 0.00 0.00 61 L 7.71 4.17 0.00 1.83 1.64 0.80 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.55 3.95 0.00 2.04 1.86 0.00 1.52 0.00 0.00 1.64 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.48 7.81 63 A 7.55 4.04 1.01 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 64 R 8.24 3.97 0.00 1.90 1.90 0.00 3.07 0.00 0.00 3.09 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 65 S 7.46 3.89 0.00 4.15 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 66 T 7.41 4.10 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 1.19 0.00 0.00 67 V 8.24 3.57 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 1.10 0.00 0.00 0.91 0.00 0.00 68 R 7.56 3.96 0.00 1.85 1.97 0.00 3.32 0.00 0.00 3.08 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.82 0.00 69 D 8.29 4.64 0.00 2.70 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 70 I 7.56 3.83 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 0.64 0.90 0.00 0.00 71 D 6.40 4.46 0.00 2.66 2.51 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 72 P 0.00 4.25 0.00 2.17 2.17 0.00 3.75 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 1.98 1.98 0.00 73 Q 7.65 4.29 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.00 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 74 N 8.00 4.12 0.00 2.62 2.65 0.00 0.00 7.02 8.47 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 75 D 8.21 4.27 0.00 2.59 2.49 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 76 L 8.60 4.21 0.00 1.66 1.59 1.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 77 T 8.07 4.61 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 1.30 0.00 0.00 78 F 7.70 4.42 0.00 3.09 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 79 L 9.21 4.84 0.00 1.91 1.81 0.89 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 80 R 8.79 5.00 0.00 1.88 1.81 0.00 3.41 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 1.78 1.78 0.00 81 I 8.30 4.49 1.79 0.00 0.00 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 1.13 1.09 0.87 0.00 0.00 82 R 8.66 4.24 0.00 1.87 1.85 0.00 3.20 0.00 0.00 3.22 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 2.00 0.00 83 S 8.03 4.91 0.00 3.93 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 84 K 8.46 4.30 0.00 1.73 1.85 0.00 1.73 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 1.38 1.44 7.81 85 K 7.91 4.20 0.00 1.75 1.88 0.00 1.83 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.37 7.81 86 N 7.34 4.29 0.00 2.99 2.90 0.00 0.00 5.85 7.72 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 87 E 8.46 4.80 0.00 2.09 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 2.28 2.31 0.00 88 I 8.20 4.84 1.80 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.74 0.92 0.00 0.00 89 M 8.56 5.01 0.00 2.24 2.42 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.61 0.00 90 V 9.59 5.48 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 1.29 0.00 0.00 1.00 0.00 0.00 91 A 8.41 5.12 0.97 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 0.00 0.00 92 P 0.00 4.56 0.00 2.07 2.25 0.00 3.64 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 1.98 2.21 0.00 93 D 7.64 4.80 0.00 2.21 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 0.00 0.00 0.00 0.00 94 K 7.97 3.89 0.00 1.58 1.80 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.40 7.81 95 D 7.04 4.48 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 96 Y 6.70 4.79 0.00 3.12 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 97 F 9.47 4.92 0.00 3.02 2.99 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 98 L 8.34 4.43 0.00 1.73 1.60 1.03 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 99 I 8.50 4.86 1.98 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 1.21 0.95 1.01 0.00 0.00 100 V 8.69 4.48 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 0.96 0.00 0.00 0.97 0.00 0.00 101 I 7.84 4.98 2.10 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 1.47 0.59 1.01 0.00 0.00 102 Q 8.50 4.96 0.00 2.07 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.86 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 103 N 8.47 4.84 0.00 2.62 2.83 0.00 0.00 7.23 9.24 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 0.00 104 P 0.00 4.49 0.00 2.18 2.06 0.00 3.73 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 105 T 7.90 4.44 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 0.00 106 E 7.96 4.25 0.00 1.92 1.82 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 2.19 2.25 0.00