NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -3 P 4.4507 0.0000 0.0000 62.1439 32.5193 175.4172 -2 H 4.3500 7.8740 115.2638 53.7369 30.5206 171.8346 -1 M 4.2594 8.2846 122.6413 55.4538 34.3079 176.1208 *17 A 4.8159 8.3564 126.0977 52.0755 20.7757 175.0265 18 I 4.7135 8.1549 120.1553 59.8673 39.6298 174.7380 19 H 4.7998 9.1404 125.1172 54.1105 30.8656 173.6825 20 I 4.7038 8.3040 124.5992 60.0159 38.3719 175.0992 21 L 4.7308 8.6739 127.4183 53.1483 44.8222 175.8834 22 T 4.8305 8.7023 112.2097 58.8153 72.1538 174.0837 23 E 3.9326 8.8558 119.1867 59.6429 29.5112 179.3088 24 K 4.0564 7.7945 118.1239 58.4437 32.5369 176.9725 25 E 4.5593 8.1367 117.9497 56.0833 29.5125 174.9933 26 D 4.1692 7.4646 118.7499 56.5060 41.3612 176.6318 27 H 4.1134 8.9867 121.3548 56.1238 27.4005 174.9695 28 A 4.3871 8.1761 122.1779 52.2718 19.7173 176.7944 29 T 5.0441 8.4283 115.8490 61.6853 70.9818 173.6122 30 L 4.6855 9.0907 128.7406 53.5448 44.7144 174.4688 31 H 5.3793 8.8941 123.6135 54.2832 30.1404 174.1212 32 I 4.7182 8.7488 116.6172 59.1598 41.6104 174.9685 33 S 5.0903 9.1012 119.3391 57.2214 64.3475 175.4804 34 F 4.5464 9.0240 123.0861 61.0140 39.1965 175.1604 35 N 4.7204 8.0811 116.8456 53.3125 38.7796 173.8416 36 D 4.9692 7.8219 116.9739 53.1297 42.6288 175.5102 37 L 5.0230 8.8296 118.8287 53.1868 45.7360 175.9297 38 I 4.6631 8.6735 123.4219 59.4407 39.6607 174.5156 39 K 4.8104 9.0515 128.9932 54.7565 34.3431 174.5445 40 I 4.4978 8.6565 130.0597 60.1414 38.7097 175.1039 41 Q 4.8966 9.0607 126.2461 54.0950 31.8706 174.5795 42 L 4.8506 8.7584 123.7153 52.7739 45.9831 176.4762 43 R 4.8278 9.0947 121.5782 56.6167 31.2815 175.7563 44 T 4.7868 8.7456 115.1234 61.3240 71.8089 171.9532 45 N 5.3702 9.2972 124.2589 50.7493 39.2826 172.7449 46 P 4.3577 0.0000 0.0000 64.9282 31.9275 178.6184 47 S 4.3201 8.2751 111.1701 60.1407 63.1148 174.6598 48 T 4.2199 8.1289 110.6119 61.6128 68.8125 175.8498 49 G 3.8382 8.2895 111.8986 45.4279 0.0000 173.1522 50 Y 4.0210 7.2467 116.6914 57.9710 38.6827 174.9450 51 A 4.7578 8.2080 122.3114 50.5397 23.2955 175.4899 52 W 5.1619 8.9934 119.7290 56.4692 30.5463 175.6978 53 N 5.2093 9.8768 121.2287 51.4836 41.3238 173.1943 54 I 5.1132 8.7117 125.4801 59.9512 40.6794 174.9652 55 E 4.8217 9.2872 126.1784 55.0253 33.6634 173.0973 56 Y 5.2351 7.7199 120.4242 54.5722 41.5013 172.5345 57 P 4.4368 0.0000 0.0000 63.2900 31.9565 178.8691 58 T 4.0937 8.7300 117.8787 64.4035 68.6276 172.6263 59 D 4.9170 8.1269 116.8022 54.1003 40.0193 180.5235 60 T 4.4295 8.1385 117.3374 65.0996 71.3727 174.3154 61 F 5.5021 8.1786 117.2439 55.5431 42.7973 174.7614 62 S 4.8827 9.2570 116.7168 56.6210 65.6701 173.2721 63 L 4.5399 8.6074 124.9338 55.0190 41.3872 176.2203 64 S 4.5267 8.9441 122.7927 60.2286 64.4154 174.4404 65 Q 4.6132 7.5699 118.9896 55.1009 32.2321 172.1972 66 D 5.3397 8.7059 124.7702 52.9597 44.4044 174.5799 67 T 4.7855 8.9559 121.1082 62.1493 73.5219 172.3786 68 I 5.1763 8.4442 125.4702 59.1290 40.5053 174.5460 69 K 4.8271 9.1384 127.1059 54.9706 36.2932 175.4607 70 A 4.4727 8.7463 126.0887 52.2709 19.2484 178.0838 71 E 3.9791 8.9298 119.3326 56.1656 30.2889 176.6990 72 P 4.5876 0.0000 0.0000 63.8706 31.4119 175.2793 *73 H 4.9713 7.7626 115.8995 53.8640 28.8413 178.0742 *74 P 4.5304 0.0000 0.0000 63.5002 30.4586 178.7023 *75 S 4.3461 8.1166 119.9878 60.5377 63.2751 176.0347 76 G 4.1446 7.5682 108.5189 44.2245 0.0000 173.0009 77 M 4.2485 8.7281 120.4325 55.7054 32.5859 176.9760 *78 V 3.8478 8.1938 118.5473 62.1738 32.1661 178.0821 79 G 4.1216 9.0656 112.0648 45.6773 0.0000 173.2326 80 F 4.7298 8.0551 121.0697 55.6245 40.2704 172.3072 81 P 4.8305 0.0000 0.0000 61.9730 33.4045 174.7593 82 S 4.9128 9.1504 116.2230 57.1303 66.1951 173.2791 83 I 4.7012 8.9783 121.6814 59.6868 39.7569 174.9035 84 R 4.9921 9.3788 127.9216 54.8035 32.1519 174.5768 85 E 5.1535 9.4530 125.8527 54.5944 33.3663 174.7747 86 I 4.9979 8.7598 124.9152 59.5035 40.7543 174.3759 87 Q 5.0633 9.3306 125.9668 54.0545 31.4938 174.5028 88 L 5.0569 8.9762 124.2416 52.6230 45.0796 175.2855 89 K 4.9238 8.7711 124.0701 53.7234 34.9046 173.5502 90 P 4.6665 0.0000 0.0000 63.3087 31.3697 176.1389 91 L 4.5244 9.1582 124.4701 56.2542 42.7234 177.4168 92 K 4.6255 7.6764 115.0440 54.3600 36.1163 176.4109 93 V 3.4908 7.3111 114.5923 61.1266 32.5355 176.7293 94 G 3.7718 7.1027 107.8633 44.4629 0.0000 171.9824 95 T 5.0652 7.9107 116.3172 62.2226 71.0157 173.7885 96 T 4.7663 8.9587 119.1699 61.4027 71.8501 172.0526 97 T 5.2703 8.5049 119.2695 61.7661 72.3412 173.6446 98 I 4.9093 9.0663 126.1799 59.5201 40.3058 174.6688 99 K 5.0985 9.2187 125.8093 54.5497 35.4364 175.1454 100 L 5.4930 9.2475 124.2422 52.9724 45.5229 175.7402 101 G 4.5374 9.3148 108.8606 44.6644 0.0000 170.8240 102 Y 4.9132 8.7396 125.9750 55.9613 40.2452 174.5389 103 S 4.8711 8.3896 120.4241 57.4914 67.0155 174.1720 104 R 4.4064 8.1136 118.9288 53.7642 30.8657 175.3934 105 P 4.2180 0.0000 0.0000 66.3887 31.8686 178.3074 *106 W 4.2352 7.7391 121.9273 56.1342 27.4268 178.5081 107 E 4.6227 7.7495 118.5216 54.9681 32.1472 179.8783 108 K 4.2790 8.4731 128.5727 53.0970 30.8755 174.9166 109 G 3.9984 8.1443 108.4076 46.6247 0.0000 173.5643 110 K 4.1600 7.4345 122.4659 54.4655 32.2853 181.3031 111 E 4.2753 8.3879 112.6444 56.4485 30.1399 172.2991 112 P 4.6073 0.0000 0.0000 61.5329 32.4837 176.2069 113 L 4.2096 8.4393 121.8316 58.0165 42.1879 177.4126 114 R 4.8735 7.9491 116.0125 54.4420 34.4364 174.3077 115 S 5.4234 8.7811 116.6884 56.8798 66.7331 173.3824 116 L 4.9409 9.1235 121.6592 53.3237 45.9127 175.7588 117 T 4.9348 8.5561 117.7212 62.0034 72.7156 172.5811 118 Y 5.3034 9.0196 123.0361 56.3867 42.1925 174.4885 119 S 5.2364 9.0089 119.3802 57.0240 65.4921 173.3145 120 V 4.8230 8.9770 124.1055 61.0517 34.6594 174.0967 121 V 4.4538 8.8880 128.2115 61.3257 33.7087 174.3595 122 I 4.6854 8.9978 132.9072 60.5795 38.5343 176.8881 123 R 4.2572 8.6552 127.3045 56.7317 29.0860 173.3912 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 -3 P 0.00 4.45 0.00 2.11 1.90 0.00 3.77 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 1.84 1.59 0.00 -2 H 7.87 4.35 0.00 3.29 3.25 0.00 5.49 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 M 8.28 4.26 0.00 2.12 1.95 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.54 0.00 *17 A 8.36 4.82 1.14 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 0.00 0.00 0.00 0.00 0.00 0.00 18 I 8.15 4.71 1.81 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.66 0.86 0.00 0.00 19 H 9.14 4.80 0.00 2.96 3.14 0.00 5.60 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 I 8.30 4.70 1.81 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.46 0.84 0.00 0.00 21 L 8.67 4.73 0.00 1.05 0.78 0.11 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.70 4.83 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 1.15 0.00 0.00 23 E 8.86 3.93 0.00 2.08 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 0.00 2.45 2.25 0.00 24 K 7.79 4.06 0.00 1.72 1.84 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.42 7.81 25 E 8.14 4.56 0.00 2.36 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 2.24 2.29 0.00 26 D 7.46 4.17 0.00 2.67 2.61 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 0.00 0.00 0.00 0.00 27 H 8.99 4.11 0.00 3.34 3.42 0.00 5.71 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 28 A 8.18 4.39 1.43 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 0.00 0.00 29 T 8.43 5.04 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 1.17 0.00 0.00 30 L 9.09 4.69 0.00 1.63 1.44 0.85 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 31 H 8.89 5.38 0.00 3.01 3.23 0.00 5.89 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 I 8.75 4.72 2.00 0.00 0.00 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 1.25 0.90 0.67 0.00 0.00 33 S 9.10 5.09 0.00 4.10 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 34 F 9.02 4.55 0.00 2.85 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 35 N 8.08 4.72 0.00 2.61 2.73 0.00 0.00 6.98 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 36 D 7.82 4.97 0.00 2.84 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 37 L 8.83 5.02 0.00 1.51 1.47 0.94 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.67 4.66 1.59 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.60 0.64 0.00 0.00 39 K 9.05 4.81 0.00 1.68 1.58 0.00 1.59 0.00 0.00 1.69 0.00 0.00 2.79 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.23 1.31 7.81 40 I 8.66 4.50 1.74 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 0.91 0.32 0.79 0.00 0.00 41 Q 9.06 4.90 0.00 1.84 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.75 0.00 0.00 0.00 0.00 0.00 2.30 2.22 0.00 42 L 8.76 4.85 0.00 1.00 0.84 -0.43 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 43 R 9.09 4.83 0.00 1.67 1.86 0.00 3.19 0.00 0.00 3.12 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 44 T 8.75 4.79 4.73 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 1.46 0.00 0.00 45 N 9.30 5.37 0.00 3.11 2.88 0.00 0.00 7.50 7.78 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 46 P 0.00 4.36 0.00 2.28 2.16 0.00 3.92 0.00 0.00 4.03 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 47 S 8.28 4.32 0.00 3.98 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 48 T 8.13 4.22 4.44 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 49 G 8.29 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 0.00 0.00 0.00 50 Y 7.25 4.02 0.00 2.40 1.43 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 51 A 8.21 4.76 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 52 W 8.99 5.16 0.00 3.32 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 53 N 9.88 5.21 0.00 2.64 2.74 0.00 0.00 6.32 7.30 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 54 I 8.71 5.11 2.01 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.19 1.08 0.00 0.00 55 E 9.29 4.82 0.00 1.62 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 2.13 2.09 0.00 56 Y 7.72 5.24 0.00 3.16 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 57 P 0.00 4.44 0.00 2.28 2.07 0.00 3.87 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.16 0.00 58 T 8.73 4.09 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 1.21 0.00 0.00 59 D 8.13 4.92 0.00 2.69 2.57 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 0.00 0.00 0.00 0.00 60 T 8.14 4.43 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 0.35 0.00 0.00 61 F 8.18 5.50 0.00 2.41 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 62 S 9.26 4.88 0.00 3.89 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 63 L 8.61 4.54 0.00 1.80 1.73 1.03 1.00 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 64 S 8.94 4.53 0.00 3.90 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 65 Q 7.57 4.61 0.00 2.10 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.90 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 66 D 8.71 5.34 0.00 2.70 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 67 T 8.96 4.79 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 1.22 0.00 0.00 68 I 8.44 5.18 1.94 0.00 0.00 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 1.46 1.09 0.96 0.00 0.00 69 K 9.14 4.83 0.00 1.81 1.84 0.00 1.37 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.32 1.40 7.81 70 A 8.75 4.47 1.27 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 0.00 0.00 0.00 71 E 8.93 3.98 0.00 1.91 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 2.32 1.88 0.00 72 P 0.00 4.59 0.00 2.08 1.98 0.00 3.66 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 1.94 1.58 0.00 *73 H 7.76 4.97 0.00 2.83 2.84 0.00 7.20 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *74 P 0.00 4.53 0.00 2.08 1.94 0.00 3.71 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 1.95 1.62 0.00 *75 S 8.12 4.35 0.00 3.62 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 76 G 7.57 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 M 8.73 4.25 0.00 2.17 2.17 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 2.79 2.60 0.00 *78 V 8.19 3.85 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 0.73 0.00 0.00 0.93 0.00 0.00 79 G 9.07 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 0.00 0.00 0.00 80 F 8.06 4.73 0.00 2.96 3.02 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 81 P 0.00 4.83 0.00 2.04 1.80 0.00 3.57 0.00 0.00 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.76 0.00 82 S 9.15 4.91 0.00 3.83 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 83 I 8.98 4.70 1.88 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 1.10 0.84 0.89 0.00 0.00 84 R 9.38 4.99 0.00 2.07 1.98 0.00 3.37 0.00 0.00 3.32 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 85 E 9.45 5.15 0.00 1.85 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 2.16 2.23 0.00 86 I 8.76 5.00 1.82 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 1.42 0.69 0.90 0.00 0.00 87 Q 9.33 5.06 0.00 1.88 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.76 0.00 0.00 0.00 0.00 0.00 2.21 2.26 0.00 88 L 8.98 5.06 0.00 0.96 0.95 0.03 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 89 K 8.77 4.92 0.00 1.80 1.65 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.78 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.32 1.37 7.81 90 P 0.00 4.67 0.00 2.27 2.06 0.00 3.81 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 2.30 2.33 0.00 91 L 9.16 4.52 0.00 1.52 1.75 0.97 0.46 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 92 K 7.68 4.63 0.00 1.56 1.53 0.00 1.87 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.50 7.81 93 V 7.31 3.49 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 -0.18 0.00 0.00 0.66 0.00 0.00 94 G 7.10 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 95 T 7.91 5.07 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 1.25 0.00 0.00 96 T 8.96 4.77 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 1.34 0.00 0.00 97 T 8.50 5.27 4.31 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 1.33 0.00 0.00 98 I 9.07 4.91 2.08 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.95 1.04 0.00 0.00 99 K 9.22 5.10 0.00 1.71 1.70 0.00 1.63 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.42 7.81 100 L 9.25 5.49 0.00 1.61 1.90 1.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 101 G 9.31 4.54 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 0.00 0.00 0.00 102 Y 8.74 4.91 0.00 1.43 2.30 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 0.00 103 S 8.39 4.87 0.00 3.82 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 0.00 104 R 8.11 4.41 0.00 1.42 1.55 0.00 2.79 0.00 0.00 2.74 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.50 0.00 105 P 0.00 4.22 0.00 2.10 2.10 0.00 3.54 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 1.88 1.86 0.00 *106 W 7.74 4.24 0.00 2.54 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 0.00 0.00 0.00 0.00 107 E 7.75 4.62 0.00 1.95 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 1.83 0.00 108 K 8.47 4.28 0.00 1.68 1.76 0.00 1.88 0.00 0.00 1.82 0.00 0.00 2.85 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.43 1.00 7.81 109 G 8.14 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 0.00 0.00 0.00 110 K 7.43 4.16 0.00 1.83 1.66 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.39 1.26 7.81 111 E 8.39 4.28 0.00 1.98 1.76 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 2.23 1.86 0.00 112 P 0.00 4.61 0.00 2.40 2.11 0.00 3.77 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.99 0.00 113 L 8.44 4.21 0.00 1.75 1.93 0.89 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 114 R 7.95 4.87 0.00 1.66 1.82 0.00 3.29 0.00 0.00 3.33 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.52 0.00 115 S 8.78 5.42 0.00 3.74 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 0.00 116 L 9.12 4.94 0.00 1.26 0.91 0.45 0.48 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 0.00 117 T 8.56 4.93 4.04 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 1.24 0.00 0.00 118 Y 9.02 5.30 0.00 2.80 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 0.00 119 S 9.01 5.24 0.00 3.82 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 0.00 120 V 8.98 4.82 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 1.13 0.00 0.00 1.00 0.00 0.00 121 V 8.89 4.45 1.86 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 0.98 0.00 0.00 0.79 0.00 0.00 122 I 9.00 4.69 1.93 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 1.13 0.55 0.87 0.00 0.00 123 R 8.66 4.26 0.00 1.58 1.68 0.00 3.30 0.00 0.00 3.26 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.44 0.00 * Residues marked with a * may have inaccurate shift predictions.