NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4173 8.3344 115.4115 58.0609 64.3755 174.7020 2 M 4.2011 8.2083 120.3474 55.6758 29.1716 173.7495 3 Q 4.1360 8.1990 121.0522 56.5960 30.5742 175.2015 4 D 4.5716 7.6583 116.5385 50.7446 42.7984 173.5784 5 P 4.0928 0.0000 0.0000 65.6954 31.4162 178.1111 6 I 3.5829 7.8544 118.9969 64.1901 37.0117 177.6183 7 A 3.9176 8.1680 121.2281 55.4488 18.1151 179.0478 8 D 4.4844 7.5151 117.0895 57.1120 41.2657 178.0615 9 M 3.9450 7.7778 118.0043 58.6727 32.0663 178.1066 10 L 3.8965 7.9905 119.1292 58.0017 41.7979 179.5066 11 T 3.8266 8.4963 110.0407 65.1211 68.4417 176.3533 12 R 3.9351 8.5365 121.3503 58.8496 30.0101 179.1203 13 I 3.6783 7.5801 119.3061 64.3902 37.2116 178.6804 14 R 3.9062 7.7183 116.8244 59.4895 29.0427 178.4885 15 N 4.4674 8.3797 116.6910 55.7090 38.7306 177.4085 16 G 3.7535 7.8422 107.0590 47.9513 0.0000 175.7036 17 Q 4.1211 8.0151 119.4920 58.8841 28.7491 179.1490 18 A 4.2683 7.8179 120.0347 54.4331 19.0238 178.5220 19 A 4.3308 8.1250 117.1839 51.4691 18.5063 177.4857 20 N 4.2588 8.2129 113.0814 54.0112 36.4391 174.5199 21 K 4.0117 7.5622 116.3481 56.4728 32.7049 176.7959 22 A 4.2276 8.9165 126.7666 55.0195 19.0421 175.7858 23 A 5.0063 7.2800 118.5728 51.9179 22.3513 174.8017 24 V 4.3622 8.1791 110.0885 61.9023 35.0810 172.6847 25 T 5.7406 9.4398 112.9791 58.6512 71.8953 172.5852 26 M 4.4445 8.0533 121.5532 54.2158 33.1298 172.8534 27 P 5.0779 0.0000 0.0000 62.6009 31.8715 176.5033 28 S 4.6537 8.7027 120.1480 57.7657 64.7587 173.0430 29 S 4.5133 8.5287 111.4502 56.4492 64.3865 176.6261 30 K 3.8456 7.9875 120.8931 60.1869 31.8047 178.1075 31 L 3.8734 7.7999 119.3072 58.2376 42.3144 178.9538 32 K 3.7569 7.5504 116.9960 59.7228 31.9431 179.2569 33 V 3.3580 8.0037 117.8329 65.8454 31.6390 177.5115 34 A 3.9643 7.8437 120.5163 55.4766 18.1559 179.5813 35 I 3.5319 7.9230 117.7945 64.6484 37.2535 178.4761 36 A 3.8054 7.7731 121.3525 55.0806 17.9551 179.0480 37 N 4.1029 8.0243 115.8957 56.9725 39.1239 177.0973 38 V 3.7559 7.7196 119.2793 66.2682 31.4798 178.0886 39 L 4.2347 7.8710 118.6641 57.2423 41.3933 179.3485 40 K 4.2357 7.7610 120.5155 58.9182 32.2103 178.7704 41 E 4.0438 8.5366 117.5793 59.0166 29.4167 178.4141 42 E 4.3154 8.1826 116.6432 55.7876 31.3779 175.9017 43 G 3.5951 8.5566 106.6011 45.8391 0.0000 173.3068 44 F 4.9462 8.3046 113.4210 56.8074 42.6422 175.9209 45 I 4.6055 7.6107 113.8865 59.0113 39.8185 174.6410 46 E 3.8917 7.6750 125.0517 59.2349 30.1065 177.5206 47 D 4.8606 8.5641 115.5621 54.3883 45.3536 172.9912 48 F 5.8611 7.9248 111.5932 56.8163 40.5729 173.7451 49 K 4.5364 8.4200 121.8696 55.0152 35.6269 175.0490 50 V 4.3392 8.5201 127.7663 60.7850 32.0911 175.4957 51 E 4.3658 8.6296 127.6914 55.9534 32.7532 171.6828 52 G 4.6474 8.5958 115.6335 45.7351 0.0000 172.8301 53 D 4.5302 8.0230 124.2406 56.5493 41.8704 177.7676 54 T 3.9385 7.7639 116.1214 64.0515 68.1913 174.7191 55 K 4.4384 7.7045 121.8164 53.4305 32.6641 173.0790 56 P 4.9138 0.0000 0.0000 63.0042 32.3247 175.3739 57 E 5.2527 8.4350 123.5014 55.2730 33.6539 174.2394 58 L 4.5571 8.1020 113.9900 54.8388 44.1796 174.2621 59 E 4.4247 9.7131 126.7809 55.9107 27.8269 173.4424 60 L 4.6820 9.0793 124.5652 53.9689 43.5826 175.0448 61 T 4.8010 8.4922 117.7630 60.7255 70.4401 174.2252 62 L 4.4040 8.3168 126.9224 54.3082 42.7242 176.3542 63 K 4.6970 8.3818 123.6643 55.2738 34.8147 174.7704 64 Y 5.0909 8.3525 121.8206 56.1805 41.9838 173.4853 65 F 4.6213 8.6330 128.6246 59.1584 39.9308 177.8479 66 Q 4.3184 7.8485 118.1946 55.9196 28.8932 178.3738 67 G 3.8332 8.4718 112.2696 45.2411 0.0000 171.4955 68 K 4.1914 7.2523 118.0347 55.8640 35.2379 173.0196 69 A 4.7862 8.5498 124.5881 51.0383 19.7742 177.9883 70 V 3.7014 7.9501 120.3400 65.6335 31.6814 176.9254 71 V 4.0095 8.0907 120.9967 61.6265 29.8467 174.9041 72 E 4.1775 8.5306 124.9351 58.4952 30.5556 177.8594 73 S 4.5358 8.6175 114.3867 57.0685 66.3781 173.4380 74 I 4.6810 8.2107 127.3328 59.9418 40.5301 173.6707 75 Q 4.6330 8.4867 126.9927 53.9414 33.4586 174.6333 76 R 4.0855 8.3981 121.1573 56.6607 30.7604 174.2246 77 V 3.9376 7.9871 119.1211 63.3924 32.7401 176.3287 78 S 4.3103 7.3320 118.1024 57.5123 61.7984 174.4017 79 R 4.0239 7.4302 116.7504 55.1682 30.4074 174.4326 80 P 4.3321 0.0000 0.0000 63.0578 31.9067 177.1624 81 G 3.9324 8.6280 104.4016 45.8711 0.0000 173.9314 82 L 4.5042 7.0985 115.1318 54.7467 44.3443 173.5669 83 R 4.1451 7.9768 121.6351 55.6953 31.3250 176.4233 84 I 4.5553 8.1502 119.5411 60.3682 41.2438 174.0594 85 Y 4.8969 8.8801 124.8443 56.2116 39.8895 175.5816 86 K 4.6689 8.7008 123.4177 54.9008 35.5824 176.1344 87 R 4.7943 8.2818 120.7927 54.6974 31.8738 177.9137 88 K 4.1839 8.8671 119.4678 59.0945 32.4326 177.1900 89 D 4.9189 8.0314 116.9201 53.0515 39.8649 175.9649 90 E 4.4765 8.4702 119.1182 56.4662 31.1653 176.2605 91 L 3.8671 8.1027 118.1983 54.5008 41.9033 175.4628 92 P 4.3347 0.0000 0.0000 62.5589 31.9725 176.5801 93 K 4.2466 7.9689 119.8360 54.1423 31.8996 176.0640 94 V 3.2530 7.8636 123.6506 64.4037 32.3920 175.7645 95 M 3.1466 9.4584 124.6908 57.3511 30.5124 176.6743 96 A 3.8577 9.1108 115.3631 52.7976 16.9755 177.4784 97 G 3.9280 8.3479 109.8840 47.2263 0.0000 176.5905 98 L 4.0040 8.2796 118.6927 55.7671 41.7605 176.2394 99 G 4.3565 7.3478 107.1910 43.3153 0.0000 171.9797 100 I 4.8696 8.6568 111.2187 58.9979 41.5441 174.7682 101 A 5.1217 9.0497 125.5349 48.8200 21.2446 175.2915 102 V 3.9186 8.4032 121.7627 64.2158 32.8394 174.8260 103 V 4.7717 8.7774 128.4745 61.0553 34.8695 174.4146 104 S 4.7052 9.3952 123.6495 57.8081 62.9550 173.2498 105 T 4.7533 8.7505 118.6963 59.8041 71.2937 175.6662 106 S 4.4193 8.7571 114.4193 59.6392 62.2204 174.2277 107 K 4.4424 8.1983 116.7857 56.2687 32.9326 174.6446 108 G 3.7939 7.4968 106.0593 43.5943 0.0000 173.6024 109 V 4.4632 8.0496 120.3368 62.0654 31.2274 174.2128 110 M 5.0989 8.3892 127.6430 53.6238 34.7730 174.7236 111 T 4.9508 8.2618 107.6572 60.5986 71.6335 175.1792 112 D 4.3341 8.7531 123.3441 57.0597 39.2319 178.8060 113 R 3.8709 7.6523 119.8308 58.9000 30.0338 177.9293 114 A 3.9408 7.8283 119.4704 55.1603 18.3503 179.0956 115 A 3.9336 8.4611 119.0865 55.4593 18.4752 179.3805 116 R 3.8035 8.6170 117.2875 60.0361 29.8366 178.4486 117 Q 3.9708 7.7577 115.5173 59.1016 28.9236 178.6882 118 A 4.1511 7.8049 120.1727 53.4341 18.2504 178.2665 119 G 3.8739 8.1904 104.8162 45.6183 0.0000 172.9686 120 L 4.8043 7.6909 118.1974 53.5897 43.2289 176.2191 121 G 4.0327 8.3775 108.7307 45.3166 0.0000 171.6011 122 G 4.1764 7.5979 103.2469 46.3289 0.0000 171.2403 123 E 4.8650 8.0264 121.7518 54.0094 30.7991 177.3840 124 I 4.1382 8.2448 127.6892 62.2149 37.8182 175.4093 125 I 4.6059 8.3331 119.3932 62.8925 42.7829 175.1811 126 C 4.6425 7.4580 113.6204 57.8712 32.2407 172.9012 127 Y 5.2929 8.2303 117.4341 56.3711 36.9825 174.6291 128 V 3.7677 8.1731 119.0617 62.0676 32.8143 176.0811 129 A 4.3184 8.1922 130.5067 52.3127 18.8494 176.4948 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 S 8.33 4.42 0.00 3.99 3.97 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 2 M 8.21 4.20 0.00 2.05 2.04 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.67 0.00 3 Q 8.20 4.14 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.74 0.00 0.00 0.00 0.00 0.00 2.33 2.53 0.00 4 D 7.66 4.57 0.00 2.61 2.47 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 5 P 0.00 4.09 0.00 2.28 2.27 0.00 3.74 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 2.04 2.04 0.00 6 I 7.85 3.58 1.96 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 1.53 0.77 0.85 0.00 0.00 7 A 8.17 3.92 1.41 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 0.00 0.00 8 D 7.52 4.48 0.00 2.66 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 9 M 7.78 3.95 0.00 2.22 2.01 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.54 0.00 10 L 7.99 3.90 0.00 1.81 1.63 0.84 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 11 T 8.50 3.83 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 1.26 0.00 0.00 12 R 8.54 3.94 0.00 2.04 2.02 0.00 3.41 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 13 I 7.58 3.68 2.01 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.76 0.86 0.00 0.00 14 R 7.72 3.91 0.00 1.97 2.15 0.00 2.77 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.66 0.00 15 N 8.38 4.47 0.00 2.91 2.94 0.00 0.00 7.05 8.07 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 16 G 7.84 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 17 Q 8.02 4.12 0.00 2.21 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.94 0.00 0.00 0.00 0.00 0.00 2.52 2.49 0.00 18 A 7.82 4.27 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 19 A 8.13 4.33 1.41 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 0.00 0.00 20 N 8.21 4.26 0.00 2.83 2.74 0.00 0.00 7.04 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 7.56 4.01 0.00 1.96 1.94 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.58 7.81 22 A 8.92 4.23 1.34 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 0.00 0.00 0.00 23 A 7.28 5.01 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 24 V 8.18 4.36 2.11 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 0.77 0.00 0.00 0.94 0.00 0.00 25 T 9.44 5.74 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 1.24 0.00 0.00 26 M 8.05 4.44 0.00 2.19 2.25 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.28 0.00 27 P 0.00 5.08 0.00 2.10 2.12 0.00 3.37 0.00 0.00 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.80 0.00 28 S 8.70 4.65 0.00 3.92 4.15 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 29 S 8.53 4.51 0.00 3.95 3.94 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 30 K 7.99 3.85 0.00 1.84 1.82 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.52 1.56 7.81 31 L 7.80 3.87 0.00 1.78 1.62 0.90 0.79 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 32 K 7.55 3.76 0.00 2.10 1.83 0.00 1.83 0.00 0.00 1.55 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.45 7.81 33 V 8.00 3.36 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 1.17 0.00 0.00 1.01 0.00 0.00 34 A 7.84 3.96 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 35 I 7.92 3.53 1.91 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.79 0.84 0.00 0.00 36 A 7.77 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 N 8.02 4.10 0.00 2.87 2.98 0.00 0.00 6.74 7.25 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 38 V 7.72 3.76 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 1.01 0.00 0.00 39 L 7.87 4.23 0.00 1.97 1.77 0.84 0.47 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 40 K 7.76 4.24 0.00 2.08 2.19 0.00 1.96 0.00 0.00 1.98 0.00 0.00 3.09 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.53 1.78 7.81 41 E 8.54 4.04 0.00 1.97 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 0.00 2.70 2.56 0.00 42 E 8.18 4.32 0.00 2.22 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 2.55 2.57 0.00 43 G 8.56 3.60 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 0.00 0.00 0.00 44 F 8.30 4.95 0.00 3.23 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 45 I 7.61 4.61 2.09 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 1.57 0.94 0.95 0.00 0.00 46 E 7.67 3.89 0.00 2.03 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 0.00 2.42 2.38 0.00 47 D 8.56 4.86 0.00 2.77 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 48 F 7.92 5.86 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 49 K 8.42 4.54 0.00 1.78 1.64 0.00 1.45 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.48 7.81 50 V 8.52 4.34 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 1.04 0.00 0.00 1.05 0.00 0.00 51 E 8.63 4.37 0.00 1.96 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 2.38 2.33 0.00 52 G 8.60 4.65 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 0.00 0.00 0.00 53 D 8.02 4.53 0.00 2.68 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 54 T 7.76 3.94 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 1.22 0.00 0.00 55 K 7.70 4.44 0.00 1.80 1.73 0.00 1.74 0.00 0.00 1.87 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.33 7.81 56 P 0.00 4.91 0.00 2.13 2.19 0.00 3.64 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 2.08 1.97 0.00 57 E 8.44 5.25 0.00 2.08 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 2.20 2.11 0.00 58 L 8.10 4.56 0.00 1.82 1.50 0.90 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 59 E 9.71 4.42 0.00 2.17 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 2.36 2.39 0.00 60 L 9.08 4.68 0.00 1.76 1.70 0.85 1.05 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 61 T 8.49 4.80 4.32 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 62 L 8.32 4.40 0.00 1.60 1.34 0.95 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 63 K 8.38 4.70 0.00 1.96 1.79 0.00 1.64 0.00 0.00 1.82 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.49 1.51 7.81 64 Y 8.35 5.09 0.00 2.93 3.03 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 0.00 0.00 0.00 65 F 8.63 4.62 0.00 2.79 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 66 Q 7.85 4.32 0.00 1.72 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.52 0.00 0.00 0.00 0.00 0.00 1.34 1.16 0.00 67 G 8.47 3.83 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 0.00 0.00 0.00 68 K 7.25 4.19 0.00 1.84 1.71 0.00 1.67 0.00 0.00 1.88 0.00 0.00 3.01 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.34 1.44 7.81 69 A 8.55 4.79 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 70 V 7.95 3.70 2.17 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 0.90 0.00 0.00 1.01 0.00 0.00 71 V 8.09 4.01 2.10 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 0.73 0.00 0.00 0.93 0.00 0.00 72 E 8.53 4.18 0.00 2.15 2.11 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 2.29 2.27 0.00 73 S 8.62 4.54 0.00 3.83 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 74 I 8.21 4.68 1.72 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 1.25 0.80 0.84 0.00 0.00 75 Q 8.49 4.63 0.00 1.97 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.79 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 76 R 8.40 4.09 0.00 1.71 1.73 0.00 3.14 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 77 V 7.99 3.94 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 0.46 0.00 0.00 -0.25 0.00 0.00 78 S 7.33 4.31 0.00 3.70 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 79 R 7.43 4.02 0.00 1.90 1.86 0.00 3.04 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 1.71 1.56 0.00 80 P 0.00 4.33 0.00 2.22 2.22 0.00 3.83 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 2.04 1.94 0.00 81 G 8.63 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 82 L 7.10 4.50 0.00 1.57 1.50 0.90 0.96 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 83 R 7.98 4.15 0.00 2.05 1.68 0.00 3.28 0.00 0.00 3.35 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 84 I 8.15 4.56 1.73 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.68 0.90 0.00 0.00 85 Y 8.88 4.90 0.00 2.76 2.88 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 86 K 8.70 4.67 0.00 1.74 1.74 0.00 1.81 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.41 1.59 7.81 87 R 8.28 4.79 0.00 1.78 1.86 0.00 3.15 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 1.70 1.91 0.00 88 K 8.87 4.18 0.00 1.87 1.96 0.00 1.52 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.42 1.45 7.81 89 D 8.03 4.92 0.00 2.75 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 90 E 8.47 4.48 0.00 2.20 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 0.00 2.26 2.26 0.00 91 L 8.10 3.87 0.00 1.63 1.67 0.96 1.05 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 92 P 0.00 4.33 0.00 1.89 2.04 0.00 3.76 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 1.89 2.14 0.00 93 K 7.97 4.25 0.00 1.68 1.74 0.00 1.73 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.30 1.35 7.81 94 V 7.86 3.25 1.93 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 0.90 0.00 0.00 0.56 0.00 0.00 95 M 9.46 3.15 0.00 2.17 1.98 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.51 0.00 96 A 9.11 3.86 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 97 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 98 L 8.28 4.00 0.00 1.71 1.74 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 99 G 7.35 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 0.00 0.00 0.00 0.00 100 I 8.66 4.87 1.95 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 1.44 0.93 1.11 0.00 0.00 101 A 9.05 5.12 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 0.00 102 V 8.40 3.92 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 0.91 0.00 0.00 0.91 0.00 0.00 103 V 8.78 4.77 2.10 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 0.94 0.00 0.00 1.05 0.00 0.00 104 S 9.40 4.71 0.00 3.87 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 0.00 105 T 8.75 4.75 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 0.00 106 S 8.76 4.42 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 0.00 107 K 8.20 4.44 0.00 1.78 1.76 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.49 7.81 108 G 7.50 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 0.00 0.00 0.00 109 V 8.05 4.46 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 0.83 0.00 0.00 0.92 0.00 0.00 110 M 8.39 5.10 0.00 2.10 2.19 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.45 0.00 111 T 8.26 4.95 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 1.28 0.00 0.00 112 D 8.75 4.33 0.00 2.89 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 0.00 113 R 7.65 3.87 0.00 1.88 1.99 0.00 3.26 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.81 0.00 114 A 7.83 3.94 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 0.00 115 A 8.46 3.93 1.46 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 0.00 0.00 116 R 8.62 3.80 0.00 1.99 2.13 0.00 3.10 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.85 0.00 117 Q 7.76 3.97 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.71 0.00 0.00 0.00 0.00 0.00 2.40 2.61 0.00 118 A 7.80 4.15 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 0.00 119 G 8.19 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 0.00 0.00 0.00 120 L 7.69 4.80 0.00 1.59 1.61 0.93 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 121 G 8.38 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 122 G 7.60 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 0.00 0.00 0.00 0.00 123 E 8.03 4.87 0.00 1.64 1.71 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 2.01 1.74 0.00 124 I 8.24 4.14 1.80 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 1.41 0.65 1.01 0.00 0.00 125 I 8.33 4.61 2.01 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 1.21 1.55 0.84 0.00 0.00 126 C 7.46 4.64 0.00 2.92 2.88 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 0.00 127 Y 8.23 5.29 0.00 2.77 2.75 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 0.00 128 V 8.17 3.77 1.59 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 -0.12 0.00 0.00 0.71 0.00 0.00 129 A 8.19 4.32 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