NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7608 8.2085 109.7383 45.5063 0.0000 173.4269 *28 A 4.2739 8.3197 119.8566 52.3395 20.1851 178.7426 29 E 4.1729 8.1614 113.2031 58.1173 29.7961 177.0840 30 N 5.1160 7.7394 114.8148 52.3184 38.6585 176.7541 31 N 5.2384 7.5616 118.0383 52.7105 38.1921 174.6828 *33 V 4.1820 8.2264 123.5429 63.9742 33.0676 174.6616 34 R 5.1082 8.9395 126.5591 54.9361 34.3265 173.1523 35 L 5.2089 8.8460 124.5134 53.2421 44.3084 175.4256 36 S 5.2406 8.9600 120.3652 57.0851 65.1933 173.2484 37 R 5.0921 8.9921 124.2477 54.4978 32.5159 175.1411 38 I 4.8580 9.0962 124.7350 59.3995 41.3178 174.4792 39 I 4.7127 8.1938 125.9043 59.6146 39.7153 174.4110 40 I 4.4737 8.2222 128.3781 58.8808 39.3748 175.3774 41 D 4.2820 8.5778 124.8188 54.1646 41.3278 175.4229 42 P 4.2395 0.0000 0.0000 65.7917 31.4974 178.0527 43 E 4.1484 8.3635 115.3970 58.0436 29.7471 177.3928 44 R 4.7642 8.0301 117.5370 55.7490 30.9984 177.4881 45 L 4.0401 7.8185 122.5653 58.1820 41.9446 178.6752 46 E 3.9602 8.1924 118.7407 59.3528 29.6819 178.4362 47 E 3.9902 8.2302 118.0966 59.5477 29.5601 178.4548 48 Y 4.1389 8.3847 119.6064 61.0403 38.8573 177.9960 49 N 4.2792 8.7070 117.3163 56.1130 38.6039 177.2628 50 A 3.9154 8.0336 122.1820 55.3753 18.5077 179.3025 51 Y 3.9905 7.8925 115.1970 61.0643 37.8807 178.6324 52 L 3.4332 8.0091 121.5714 57.8430 42.1272 178.8581 53 K 3.7987 8.1971 119.9476 59.3966 32.0413 178.2608 54 E 4.0060 7.8975 119.0842 59.4076 29.0838 178.4788 55 E 3.9507 8.1506 119.2939 59.1925 29.4171 178.8668 56 I 3.7412 7.6527 119.3010 64.3182 37.2500 177.8519 57 E 4.0794 8.0329 118.3028 59.4691 29.5328 179.3587 58 V 3.7424 7.9808 118.3335 65.9053 31.5377 178.9306 59 S 4.5759 8.0015 111.8971 59.2412 62.2447 176.0968 *61 R 4.2182 7.8883 123.5227 55.9956 31.3690 176.1875 62 L 4.3399 8.0704 115.4762 54.9310 42.8999 176.0778 63 E 4.5914 8.0945 118.6185 53.7575 29.9843 174.9496 64 P 4.3193 0.0000 0.0000 65.1451 31.7815 178.2043 65 G 3.6909 8.0943 105.7072 46.6084 0.0000 172.8108 66 V 4.2750 7.5453 120.7229 62.0679 31.0188 175.4775 67 L 4.4461 8.6399 129.7853 57.1385 42.4829 178.0221 68 V 4.3884 7.1326 115.4185 60.7020 34.5938 173.1464 69 L 4.8335 8.4875 122.1369 53.2161 43.5326 174.4816 70 Y 4.3891 9.2539 125.4885 55.8047 39.4484 173.3285 71 A 5.0395 8.0038 127.6655 50.7123 20.6180 176.5169 72 V 4.5442 8.9780 114.2336 59.4649 36.2846 174.3435 73 A 5.1820 8.4205 124.6404 49.9245 21.2480 176.5482 74 E 4.0792 8.9114 122.2491 56.1343 30.1185 178.7103 75 K 4.0251 8.6968 123.3773 59.4809 32.4049 178.3311 76 E 4.1903 8.0801 117.1197 58.7154 29.8568 177.3898 77 R 4.6106 7.5649 118.0802 53.5915 31.4301 173.6120 78 P 4.3846 0.0000 0.0000 64.8268 31.8219 177.5946 79 N 4.6685 8.1886 115.7936 53.5984 38.9256 173.9945 80 H 5.0939 8.7028 119.0164 54.7368 30.4624 173.7621 81 V 4.9485 8.6240 124.1960 61.2444 34.2843 174.3597 82 T 5.1905 8.8742 123.7814 61.8199 71.7885 172.9436 83 I 4.9350 8.8784 126.9572 59.3580 40.3360 174.3849 84 L 4.6051 8.9838 130.2249 54.5102 43.2817 174.9921 85 E 4.9603 9.2766 126.9182 54.5926 32.2797 175.2000 86 I 4.6808 8.3790 124.9272 59.7541 40.5747 174.0659 87 Y 5.0792 8.4996 124.0766 55.8343 39.6744 175.9402 88 A 4.3956 9.5344 124.8948 54.6854 19.8214 177.0299 89 D 4.5257 7.6777 112.4353 51.7453 41.7972 176.3952 90 E 4.0427 8.5227 117.8496 59.2342 29.1612 179.3107 91 A 3.9558 8.1128 120.4747 55.1100 18.4482 179.3163 92 A 3.9483 8.6807 119.5868 55.3489 18.4431 179.2411 93 Y 3.3657 7.7340 117.6615 60.6578 38.6039 178.4730 94 K 3.5825 7.8654 118.1532 59.2501 32.4877 179.0151 95 S 4.1223 8.1433 113.5736 61.4622 62.3523 175.4688 96 H 4.5407 8.3888 122.5998 58.6214 29.4079 176.6995 97 I 2.8313 6.8369 111.2424 61.7273 37.6290 176.6417 98 A 4.3945 7.2425 121.6079 51.7483 19.7672 177.4241 99 T 4.1075 6.9957 108.5888 60.4164 69.8921 174.1588 100 P 4.3056 0.0000 0.0000 65.8896 31.3918 178.8128 101 H 4.2870 8.1120 113.8226 58.6299 28.6009 177.3089 102 F 4.2981 7.9294 124.8704 60.1706 39.1093 176.8336 103 K 3.7897 8.2451 119.3061 59.3968 31.8835 178.4786 104 K 3.8761 8.1801 119.7729 59.6705 32.1210 178.0224 105 Y 3.9685 7.7536 119.0963 60.5496 38.5255 177.8836 106 K 3.1976 7.5050 119.3217 59.3425 32.1112 178.3264 107 E 4.0571 8.2197 119.2242 59.2908 29.1728 179.5956 108 G 3.0197 7.8236 105.1788 46.7256 0.0000 174.7943 109 T 4.2685 6.7524 108.7965 61.0960 69.3024 175.6252 110 L 4.0111 7.1664 125.4922 58.9051 42.7013 178.2744 111 D 4.4797 7.7242 116.2424 52.8523 39.6052 178.4924 *113 V 3.7206 7.5550 119.7347 63.5469 32.3548 174.4615 114 Q 4.2295 8.7490 125.7452 56.4512 29.4270 175.4560 *116 L 4.1959 7.7055 121.2310 54.8877 43.1382 175.1344 117 E 4.6703 9.3255 127.9640 54.3366 32.2431 174.4079 118 L 4.8094 8.6835 126.7628 53.4124 43.6633 176.3229 119 I 4.3380 8.7200 127.3191 59.1954 38.4719 175.0461 120 D 4.7859 8.5784 126.9241 54.3871 41.3055 175.8440 121 A 4.7601 8.6520 123.2656 50.7931 22.9409 175.5064 122 T 4.4611 8.2955 116.1215 60.7552 70.2561 173.0886 123 P 4.4006 0.0000 0.0000 62.2550 32.1128 176.4360 124 L 4.0527 8.5841 123.5939 57.3887 42.4562 176.5955 125 I 4.4288 7.2835 119.2343 57.8309 37.7363 171.7610 126 P 4.3627 0.0000 0.0000 63.8553 31.7195 177.3190 127 G 3.9021 8.8794 110.1121 45.2119 0.0000 173.3411 128 L 4.1494 7.6555 122.1190 55.0943 43.4817 175.9373 129 K 4.4382 7.9103 123.6312 56.5943 32.5383 176.2780 *131 K 4.0744 8.7425 127.6522 57.7188 32.3728 175.2354 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 G 8.21 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 0.00 0.00 0.00 0.00 *28 A 8.32 4.27 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 29 E 8.16 4.17 0.00 1.97 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 2.31 2.24 0.00 30 N 7.74 5.12 0.00 2.74 2.84 0.00 0.00 6.96 8.93 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 31 N 7.56 5.24 0.00 2.79 2.73 0.00 0.00 6.66 7.34 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 *33 V 8.23 4.18 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 0.93 0.00 0.00 0.92 0.00 0.00 34 R 8.94 5.11 0.00 1.88 1.84 0.00 3.07 0.00 0.00 3.13 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 35 L 8.85 5.21 0.00 1.64 1.58 0.94 0.83 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 36 S 8.96 5.24 0.00 3.89 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 37 R 8.99 5.09 0.00 1.75 1.83 0.00 3.09 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 38 I 9.10 4.86 1.85 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.83 0.79 0.00 0.00 39 I 8.19 4.71 1.75 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 0.86 0.65 0.77 0.00 0.00 40 I 8.22 4.47 1.63 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.28 0.69 0.00 0.00 41 D 8.58 4.28 0.00 2.63 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 42 P 0.00 4.24 0.00 2.22 2.10 0.00 3.64 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 43 E 8.36 4.15 0.00 1.94 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 2.32 2.40 0.00 44 R 8.03 4.76 0.00 1.84 1.97 0.00 3.32 0.00 0.00 3.11 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 45 L 7.82 4.04 0.00 1.86 1.71 1.05 0.88 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 46 E 8.19 3.96 0.00 2.11 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 2.39 2.42 0.00 47 E 8.23 3.99 0.00 2.36 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 2.46 2.43 0.00 48 Y 8.38 4.14 0.00 3.20 3.26 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 49 N 8.71 4.28 0.00 2.89 2.88 0.00 0.00 6.98 8.77 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 50 A 8.03 3.92 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 51 Y 7.89 3.99 0.00 3.09 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 52 L 8.01 3.43 0.00 1.11 1.34 0.53 0.66 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 53 K 8.20 3.80 0.00 1.84 1.75 0.00 1.65 0.00 0.00 1.53 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.39 7.81 54 E 7.90 4.01 0.00 2.02 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 2.30 2.29 0.00 55 E 8.15 3.95 0.00 2.14 1.65 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 2.48 2.64 0.00 56 I 7.65 3.74 1.79 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 1.47 0.65 0.93 0.00 0.00 57 E 8.03 4.08 0.00 2.06 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 2.40 0.00 58 V 7.98 3.74 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 0.85 0.00 0.00 0.93 0.00 0.00 59 S 8.00 4.58 0.00 4.10 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 *61 R 7.89 4.22 0.00 1.87 2.20 0.00 3.22 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.65 0.00 62 L 8.07 4.34 0.00 1.71 1.72 0.91 1.10 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 63 E 8.09 4.59 0.00 2.19 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 2.32 2.35 0.00 64 P 0.00 4.32 0.00 2.06 2.13 0.00 3.70 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 65 G 8.09 3.69 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 0.00 0.00 0.00 66 V 7.55 4.27 2.22 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 0.69 0.00 0.00 1.08 0.00 0.00 67 L 8.64 4.45 0.00 1.61 1.67 0.92 0.78 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 68 V 7.13 4.39 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 0.67 0.00 0.00 1.00 0.00 0.00 69 L 8.49 4.83 0.00 1.47 1.60 0.95 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 70 Y 9.25 4.39 0.00 3.05 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 71 A 8.00 5.04 1.18 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 72 V 8.98 4.54 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 0.81 0.00 0.00 1.06 0.00 0.00 73 A 8.42 5.18 1.29 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 0.00 0.00 74 E 8.91 4.08 0.00 2.27 1.90 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 2.36 2.52 0.00 75 K 8.70 4.03 0.00 1.75 1.88 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.48 7.81 76 E 8.08 4.19 0.00 1.94 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 2.31 2.26 0.00 77 R 7.56 4.61 0.00 1.64 1.66 0.00 2.82 0.00 0.00 3.10 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.48 0.00 78 P 0.00 4.38 0.00 2.20 2.20 0.00 3.76 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 79 N 8.19 4.67 0.00 2.93 3.09 0.00 0.00 6.17 7.90 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 80 H 8.70 5.09 0.00 3.26 3.41 0.00 5.58 0.00 0.00 0.00 0.00 6.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.62 4.95 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 1.04 0.00 0.00 1.02 0.00 0.00 82 T 8.87 5.19 4.30 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 1.26 0.00 0.00 83 I 8.88 4.93 1.96 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.87 0.96 0.00 0.00 84 L 8.98 4.61 0.00 1.83 1.65 0.91 0.60 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 85 E 9.28 4.96 0.00 2.01 1.60 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 2.31 2.48 0.00 86 I 8.38 4.68 1.76 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 1.17 0.63 0.87 0.00 0.00 87 Y 8.50 5.08 0.00 2.89 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 88 A 9.53 4.40 1.32 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 0.00 0.00 0.00 89 D 7.68 4.53 0.00 2.88 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 90 E 8.52 4.04 0.00 2.05 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 2.37 2.38 0.00 91 A 8.11 3.96 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 92 A 8.68 3.95 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 Y 7.73 3.37 0.00 2.28 2.89 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 94 K 7.87 3.58 0.00 1.68 1.75 0.00 1.68 0.00 0.00 1.43 0.00 0.00 3.05 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.67 1.57 7.81 95 S 8.14 4.12 0.00 3.85 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 96 H 8.39 4.54 0.00 3.42 3.23 0.00 5.87 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 I 6.84 2.83 1.24 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.36 -0.28 0.00 0.00 98 A 7.24 4.39 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 99 T 7.00 4.11 4.08 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 0.00 0.00 0.00 1.27 0.00 0.00 100 P 0.00 4.31 0.00 2.23 2.17 0.00 3.63 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 2.14 2.16 0.00 101 H 8.11 4.29 0.00 3.40 3.59 0.00 5.46 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 F 7.93 4.30 0.00 3.12 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 0.00 103 K 8.25 3.79 0.00 2.00 2.03 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.42 1.45 7.81 104 K 8.18 3.88 0.00 1.92 2.05 0.00 1.77 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.71 1.61 7.81 105 Y 7.75 3.97 0.00 3.01 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 0.00 106 K 7.51 3.20 0.00 0.92 1.45 0.00 1.50 0.00 0.00 1.65 0.00 0.00 3.19 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.35 7.81 107 E 8.22 4.06 0.00 2.00 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 2.24 2.33 0.00 108 G 7.82 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 0.00 0.00 0.00 109 T 6.75 4.27 4.33 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 0.95 0.00 0.00 110 L 7.17 4.01 0.00 1.69 1.65 0.84 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 111 D 7.72 4.48 0.00 2.74 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 *113 V 7.55 3.72 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 0.90 0.00 0.00 0.84 0.00 0.00 114 Q 8.75 4.23 0.00 2.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.21 0.00 0.00 0.00 0.00 0.00 2.30 2.24 0.00 *116 L 7.71 4.20 0.00 1.68 1.65 1.01 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 117 E 9.33 4.67 0.00 2.02 1.77 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 2.21 2.26 0.00 118 L 8.68 4.81 0.00 1.56 1.61 0.98 0.94 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 0.00 119 I 8.72 4.34 1.98 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 1.24 0.71 0.92 0.00 0.00 120 D 8.58 4.79 0.00 2.54 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 0.00 121 A 8.65 4.76 1.17 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 0.00 0.00 122 T 8.30 4.46 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 0.00 123 P 0.00 4.40 0.00 2.16 2.04 0.00 3.76 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 124 L 8.58 4.05 0.00 1.60 1.73 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 125 I 7.28 4.43 1.85 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 1.40 0.62 0.90 0.00 0.00 126 P 0.00 4.36 0.00 2.17 1.99 0.00 3.72 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 127 G 8.88 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 0.00 0.00 0.00 128 L 7.66 4.15 0.00 1.71 1.56 0.90 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 129 K 7.91 4.44 0.00 1.72 1.11 0.00 1.82 0.00 0.00 1.68 0.00 0.00 3.12 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.47 1.34 7.81 *131 K 8.74 4.07 0.00 1.75 1.75 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.42 7.81 * Residues marked with a * may have inaccurate shift predictions.