NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.3525 8.1733 120.0848 56.1190 34.2367 176.0362 4 I 4.1136 7.7451 119.6538 60.3169 39.4484 172.2508 5 R 5.0436 7.9950 121.7762 55.8740 34.9875 173.0010 6 I 5.3732 8.7072 113.9944 58.9198 40.7183 174.4146 7 K 4.3210 8.7908 126.2640 55.0126 33.1425 175.4091 8 L 4.8324 8.4768 126.8496 52.5192 41.9873 175.8495 9 R 5.1258 7.7729 127.7960 57.0069 32.8653 174.6368 10 G 3.6377 8.6552 110.2677 45.1670 0.0000 171.8788 11 F 5.2275 8.5062 114.3634 59.2183 41.5424 175.4566 12 D 4.5343 8.0498 120.5809 54.1144 41.4741 176.3169 13 H 4.4208 8.7904 121.4809 57.1796 29.3214 176.1394 14 K 4.1459 9.4895 121.2691 58.0145 33.0260 178.9039 15 T 4.0539 8.0355 109.9641 64.1187 69.0688 176.4819 16 L 4.0829 7.7003 118.8792 55.5389 41.9743 176.3428 17 D 4.6961 7.9636 115.5556 56.8383 42.5668 177.1968 18 A 3.9257 7.7277 120.3126 56.0612 18.2969 179.6021 19 S 4.0195 8.0232 110.2860 61.1288 62.9278 176.1071 20 A 3.9208 7.9207 123.1648 55.4026 18.0993 178.8987 21 Q 4.1020 8.1206 115.7710 58.2045 29.3083 177.2729 22 K 3.9303 8.0291 121.1473 59.3929 33.1290 177.2695 23 I 4.3177 8.0547 119.8969 60.1368 35.7265 176.6248 24 V 4.4891 7.2574 114.7882 62.6971 35.5432 174.2312 25 E 4.4256 8.1659 117.8499 58.5449 31.1379 177.7332 26 A 4.4003 8.0306 116.4573 52.5715 18.2000 177.4466 27 A 5.1595 8.0768 121.0757 52.6155 21.0334 179.2496 28 R 4.1134 7.9217 112.8693 58.0185 30.5070 177.3530 29 R 4.2686 7.6995 117.5615 58.1884 31.1061 177.3062 30 S 4.2192 8.1588 112.1883 60.2949 63.1686 174.1195 31 G 4.3192 7.3520 107.3315 43.2590 0.0000 173.3987 32 A 3.8946 7.6291 121.5723 52.1417 19.0862 177.6826 33 Q 4.5394 7.5226 111.2208 55.8035 33.7109 173.0354 34 V 4.5081 8.2864 120.3376 61.5377 33.5093 173.9552 35 S 4.0162 9.1219 124.0643 59.1750 63.6338 174.3160 36 G 4.0675 8.5123 113.2250 43.0366 0.0000 170.3409 37 P 4.6709 0.0000 0.0000 62.1320 31.2153 176.3230 38 I 4.3456 8.8136 120.8481 58.3478 39.0017 173.3700 39 P 4.8162 0.0000 0.0000 61.9423 31.8758 175.9552 40 L 4.2662 8.8321 126.2002 54.4099 41.4660 174.4335 41 P 3.9735 0.0000 0.0000 60.1562 31.9151 175.6923 42 T 4.1057 8.3119 119.9161 63.7135 69.0827 174.6818 43 R 4.2406 8.3526 124.9581 55.1072 30.6855 175.7951 44 V 3.7597 8.2201 125.0362 62.7566 32.2506 176.0928 45 R 4.4299 7.9006 125.8119 54.3990 29.8716 173.5704 46 R 4.2248 7.7327 120.6944 54.9532 31.7046 176.1393 47 F 4.8498 8.8365 118.0698 55.4221 40.0343 174.6520 48 T 4.3270 8.7484 121.2834 63.1824 69.5283 175.1282 49 V 4.4198 8.0355 124.0919 59.9268 34.2065 173.6949 50 I 3.7068 8.4927 117.8338 61.4302 37.6206 175.9626 51 R 3.9741 8.8162 124.4133 59.3035 30.1655 177.8640 52 G 3.8592 7.8355 105.9653 45.0510 0.0000 171.6843 53 P 4.4312 0.0000 0.0000 64.0093 32.0983 176.3147 54 F 4.6619 7.7599 121.0650 58.1959 39.2872 175.8036 55 K 4.2838 7.7683 119.1018 55.9025 33.4690 176.6350 56 H 4.8684 7.8393 114.7830 58.6803 28.0714 177.9446 57 K 4.1324 6.8882 117.7764 58.3961 32.7167 176.1331 58 D 4.6992 8.8695 120.4526 52.4614 43.2292 174.8589 59 S 3.5598 8.4653 115.7876 58.8777 60.5064 170.2997 60 R 4.4223 7.6802 123.3725 52.4083 30.9218 172.4780 61 E 3.7055 8.4558 121.0416 56.5863 29.5392 175.6960 62 H 4.5618 8.3826 121.8503 53.3113 30.8143 173.7635 63 F 5.1065 8.3857 116.4838 54.9263 40.8894 173.1696 64 E 4.2931 8.5065 118.6969 54.7285 31.9874 175.7911 65 L 4.4940 7.8528 119.6296 54.0479 43.6829 174.1123 66 R 4.2143 8.2614 122.3530 56.0312 30.9736 176.3504 67 T 4.9597 8.3111 120.6406 62.2913 69.5061 173.1014 68 H 4.4750 8.8802 123.1512 55.7578 30.0809 174.5736 69 N 5.6270 8.8401 119.1852 51.0047 42.6797 173.4967 70 R 4.9686 7.5663 123.5002 56.6121 34.6316 172.6938 71 L 5.0883 8.5662 129.4654 53.8698 44.6612 175.2073 72 V 4.9106 8.3350 122.5787 61.8659 35.4901 173.1508 73 D 5.3962 8.2538 126.4392 52.8933 44.1260 176.8393 74 I 4.5529 8.6784 112.9650 59.6571 38.2976 175.2983 75 I 3.6696 8.1777 124.3874 63.8741 38.0884 176.0927 76 N 4.6828 8.0561 121.3410 51.3063 38.0050 172.8591 77 P 4.5675 0.0000 0.0000 61.7641 29.7199 176.1155 78 N 4.7386 7.6891 116.4949 53.1655 39.2727 174.8977 79 R 4.6005 8.1251 115.5806 56.7994 30.5298 176.7782 80 K 4.6674 7.9270 116.3567 57.1531 34.5948 177.2259 81 T 3.8836 8.2099 108.1411 65.5980 68.2885 176.6565 82 I 3.5894 7.3042 122.7668 63.5326 37.0968 177.4702 83 E 3.9967 8.2019 120.8712 59.2702 29.6084 178.5909 84 Q 4.2994 7.9170 115.1080 57.1858 29.8899 176.7485 85 L 4.4158 7.4477 115.4758 54.3532 43.3413 178.9773 86 M 3.7841 5.8600 120.3840 58.9034 32.7426 177.9329 87 T 4.1226 7.6403 106.4819 63.3512 70.2037 175.0850 88 L 4.0376 7.6286 131.7304 54.5491 41.1976 175.2337 89 D 5.0360 8.0867 124.1440 53.1443 45.1175 176.0155 90 L 4.4919 7.9179 119.0069 52.7086 42.4894 175.6788 91 P 4.4058 0.0000 0.0000 62.6012 29.9977 175.2465 92 T 3.8918 8.4765 120.8404 65.2806 67.2601 174.1694 93 G 4.2735 7.4414 109.1707 45.0104 0.0000 172.8902 94 V 4.0280 7.6933 119.6908 61.9408 32.8085 175.0745 95 E 4.5717 8.4864 125.7960 55.7312 31.4878 174.7953 96 I 4.8265 7.8734 115.4913 59.8527 40.6213 173.6991 97 E 4.7740 8.5526 123.2942 55.3952 34.6030 175.1147 98 I 4.9899 8.1117 122.3638 60.8430 39.8927 173.8035 99 K 4.8920 8.4595 126.4674 54.7524 36.3953 174.8535 100 T 5.0552 8.1070 111.4639 61.4969 71.5695 175.1106 *101 V 3.9074 8.2827 119.6704 61.2081 32.4044 175.0865 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 K 8.17 4.35 0.00 1.73 1.85 0.00 1.62 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.48 7.81 4 I 7.75 4.11 1.97 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 1.11 0.80 0.94 0.00 0.00 5 R 8.00 5.04 0.00 2.03 1.73 0.00 3.06 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.70 0.00 6 I 8.71 5.37 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 1.41 0.89 0.95 0.00 0.00 7 K 8.79 4.32 0.00 1.68 1.80 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.83 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.39 7.81 8 L 8.48 4.83 0.00 1.92 1.62 0.92 0.92 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 9 R 7.77 5.13 0.00 1.59 1.54 0.00 3.19 0.00 0.00 3.93 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.42 0.00 10 G 8.66 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.51 5.23 0.00 3.06 2.96 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 12 D 8.05 4.53 0.00 2.76 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 13 H 8.79 4.42 0.00 3.30 3.11 0.00 5.57 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 9.49 4.15 0.00 1.95 1.80 0.00 1.58 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.27 0.92 7.81 15 T 8.04 4.05 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 1.37 0.00 0.00 16 L 7.70 4.08 0.00 1.72 1.90 1.01 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 17 D 7.96 4.70 0.00 2.89 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.73 3.93 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 19 S 8.02 4.02 0.00 4.05 4.13 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 0.00 0.00 0.00 0.00 20 A 7.92 3.92 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.12 4.10 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.84 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 22 K 8.03 3.93 0.00 2.08 1.92 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.44 1.64 7.81 23 I 8.05 4.32 1.87 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 1.18 0.80 0.91 0.00 0.00 24 V 7.26 4.49 2.32 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 0.78 0.00 0.00 1.04 0.00 0.00 25 E 8.17 4.43 0.00 2.01 1.92 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 2.22 2.21 0.00 26 A 8.03 4.40 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 27 A 8.08 5.16 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 28 R 7.92 4.11 0.00 1.81 1.99 0.00 3.20 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.91 0.00 29 R 7.70 4.27 0.00 1.81 1.98 0.00 3.24 0.00 0.00 3.27 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 30 S 8.16 4.22 0.00 4.11 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 31 G 7.35 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 0.00 0.00 0.00 0.00 32 A 7.63 3.89 1.28 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 33 Q 7.52 4.54 0.00 1.96 1.97 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 2.27 2.26 0.00 34 V 8.29 4.51 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 0.84 0.00 0.00 0.98 0.00 0.00 35 S 9.12 4.02 0.00 3.93 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 0.00 36 G 8.51 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.67 0.00 1.95 2.05 0.00 3.66 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 2.02 2.08 0.00 38 I 8.81 4.35 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 1.40 0.94 0.91 0.00 0.00 39 P 0.00 4.82 0.00 2.12 2.14 0.00 3.76 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 40 L 8.83 4.27 0.00 1.78 1.72 0.92 0.77 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 41 P 0.00 3.97 0.00 2.20 2.08 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 1.99 2.04 0.00 42 T 8.31 4.11 4.16 0.00 0.00 0.00 0.00 0.00 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 43 R 8.35 4.24 0.00 1.75 1.90 0.00 3.28 0.00 0.00 3.10 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 44 V 8.22 3.76 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 0.68 0.00 0.00 0.88 0.00 0.00 45 R 7.90 4.43 0.00 1.79 1.61 0.00 3.49 0.00 0.00 3.20 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.72 0.00 46 R 7.73 4.22 0.00 1.58 1.66 0.00 3.11 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.47 0.00 47 F 8.84 4.85 0.00 2.94 3.12 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 48 T 8.75 4.33 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 1.23 0.00 0.00 49 V 8.04 4.42 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 0.84 0.00 0.00 0.97 0.00 0.00 50 I 8.49 3.71 1.86 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 1.42 0.86 0.90 0.00 0.00 51 R 8.82 3.97 0.00 1.84 2.02 0.00 3.15 0.00 0.00 3.20 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 52 G 7.84 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 53 P 0.00 4.43 0.00 2.25 2.23 0.00 3.81 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.97 0.00 54 F 7.76 4.66 0.00 2.84 2.80 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 55 K 7.77 4.28 0.00 1.61 1.35 0.00 0.83 0.00 0.00 1.22 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.75 1.18 7.81 56 H 7.84 4.87 0.00 3.23 3.27 0.00 5.65 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 6.89 4.13 0.00 1.74 1.82 0.00 1.71 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.41 1.43 7.81 58 D 8.87 4.70 0.00 2.48 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 59 S 8.47 3.56 0.00 4.12 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 0.00 60 R 7.68 4.42 0.00 1.65 1.91 0.00 3.24 0.00 0.00 3.78 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.49 0.00 61 E 8.46 3.71 0.00 1.80 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.25 0.00 62 H 8.38 4.56 0.00 3.34 3.21 0.00 5.54 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 F 8.39 5.11 0.00 3.19 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 64 E 8.51 4.29 0.00 1.74 1.79 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 2.12 2.23 0.00 65 L 7.85 4.49 0.00 2.12 1.53 0.29 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 66 R 8.26 4.21 0.00 1.79 1.76 0.00 3.26 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 67 T 8.31 4.96 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 1.26 0.00 0.00 68 H 8.88 4.48 0.00 3.28 3.30 0.00 5.75 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.84 5.63 0.00 2.85 2.73 0.00 0.00 6.87 7.66 0.00 0.00 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 R 7.57 4.97 0.00 1.89 1.81 0.00 3.08 0.00 0.00 3.11 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.41 0.00 71 L 8.57 5.09 0.00 1.76 1.61 0.96 0.78 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 72 V 8.34 4.91 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 1.08 0.00 0.00 0.97 0.00 0.00 73 D 8.25 5.40 0.00 2.55 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 74 I 8.68 4.55 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 1.31 0.75 0.91 0.00 0.00 75 I 8.18 3.67 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 1.25 0.57 0.91 0.00 0.00 76 N 8.06 4.68 0.00 2.70 2.72 0.00 0.00 7.01 7.69 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 77 P 0.00 4.57 0.00 2.22 2.10 0.00 3.85 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 78 N 7.69 4.74 0.00 2.89 3.14 0.00 0.00 6.06 7.66 0.00 0.00 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 8.13 4.60 0.00 1.81 1.97 0.00 3.30 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 80 K 7.93 4.67 0.00 1.70 1.84 0.00 1.81 0.00 0.00 1.83 0.00 0.00 3.06 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.38 1.28 7.81 81 T 8.21 3.88 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 1.24 0.00 0.00 82 I 7.30 3.59 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 1.46 1.07 0.91 0.00 0.00 83 E 8.20 4.00 0.00 2.21 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 0.00 2.32 2.28 0.00 84 Q 7.92 4.30 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.78 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 85 L 7.45 4.42 0.00 1.60 1.40 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 86 M 5.86 3.78 0.00 2.06 2.20 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 2.63 2.58 0.00 87 T 7.64 4.12 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 88 L 7.63 4.04 0.00 1.74 1.77 0.92 1.12 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 89 D 8.09 5.04 0.00 2.63 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 90 L 7.92 4.49 0.00 1.56 1.60 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 91 P 0.00 4.41 0.00 2.16 2.09 0.00 3.78 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 92 T 8.48 3.89 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 93 G 7.44 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 0.00 0.00 0.00 0.00 94 V 7.69 4.03 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 0.80 0.00 0.00 0.95 0.00 0.00 95 E 8.49 4.57 0.00 2.02 1.80 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 2.27 2.31 0.00 96 I 7.87 4.83 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.87 0.89 0.00 0.00 97 E 8.55 4.77 0.00 2.00 1.80 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 2.35 2.41 0.00 98 I 8.11 4.99 1.86 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 1.35 1.09 0.96 0.00 0.00 99 K 8.46 4.89 0.00 1.63 1.69 0.00 1.68 0.00 0.00 1.86 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.33 7.81 100 T 8.11 5.06 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 *101 V 8.28 3.91 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 0.68 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.