NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 40 A 4.2990 8.2601 123.5907 51.9394 18.7529 176.2142 41 A 4.2309 8.2588 123.8535 51.1809 19.3444 175.0160 42 P 4.5043 0.0000 0.0000 62.1932 32.9793 174.8569 43 E 4.2907 8.4441 119.3797 56.1941 29.9763 177.2547 44 S 4.8036 8.4062 116.0405 58.9141 64.1421 172.8360 45 F 5.0638 8.5692 114.6256 56.2436 41.7370 173.0399 46 D 5.0311 8.7167 118.2752 53.7847 43.6129 173.8968 47 E 4.7871 9.3097 123.3151 55.6082 33.8886 173.8687 48 V 4.7575 8.3620 120.1483 61.5073 32.9859 174.1427 49 Y 4.6138 9.4482 130.1013 56.8906 41.1210 175.5708 50 K 3.4594 9.2316 127.7828 57.4551 29.5628 175.7435 51 G 3.9678 8.0720 103.5319 45.6657 0.0000 173.0824 52 R 4.6869 8.0761 118.9195 53.9742 33.4946 174.4451 53 R 4.8794 8.9634 122.1218 55.7891 31.4689 175.0629 54 I 5.2142 9.0884 120.3746 59.3569 40.5490 174.5750 55 Q 4.6829 9.2274 123.4197 54.0760 33.3123 174.3922 56 G 4.1344 7.5864 108.1631 44.6260 0.0000 171.5771 57 R 4.8143 7.7333 117.3306 53.6299 33.0482 172.7243 58 P 4.8288 0.0000 0.0000 62.4375 32.5415 176.3185 59 A 4.4228 8.6553 122.0301 53.1004 20.2884 176.8959 *66 H 4.9009 9.3825 114.8700 57.3338 31.3926 172.4229 67 E 4.7479 7.7802 119.2305 56.3677 30.4680 174.7640 68 H 5.0810 8.9000 124.3512 55.5398 29.6080 172.6342 69 G 3.3819 8.4085 106.7671 43.8843 0.0000 173.4663 70 G 3.6563 8.3687 105.5048 45.4609 0.0000 173.9364 71 G 4.1801 7.8292 103.1553 47.3120 0.0000 171.7314 72 Y 5.2613 7.9213 119.3799 56.0692 42.3758 173.7950 73 E 4.7377 8.7334 125.1293 54.4665 32.9587 175.1465 74 V 4.8936 8.0452 122.3167 61.1374 35.3987 174.0292 75 F 5.3043 9.3634 124.3098 55.6752 43.5452 174.0206 76 V 4.6848 8.9076 122.5947 61.2858 33.7477 175.3016 77 D 4.3030 10.2502 130.4477 55.5371 38.8271 175.2673 78 G 3.8854 8.5285 104.9080 45.4713 0.0000 173.8163 79 V 4.2982 7.5603 120.6068 60.6898 32.7647 174.9088 80 Q 3.8745 8.7473 128.6271 55.9916 29.4407 174.5119 81 L 4.7838 8.3678 127.9787 53.2385 43.8497 175.3894 82 H 3.9951 9.0083 126.7608 56.6423 30.6284 174.2856 83 V 5.0353 8.1492 117.6371 60.0478 35.8096 174.6868 84 M 4.8088 9.0334 120.6891 53.8378 36.6853 174.0536 85 R 3.5377 7.8992 122.0128 54.6628 31.5796 175.5289 86 N 4.6223 8.6587 123.4427 51.7443 40.2869 175.9353 87 A 3.8959 8.6687 123.8845 55.6459 18.3450 178.5305 88 D 4.5125 7.8908 111.7361 53.6308 39.5557 177.2728 89 G 3.8476 8.3263 110.0177 45.2583 0.0000 174.0442 90 S 4.7020 8.0991 114.8925 57.8983 64.9568 173.0092 91 W 5.3668 9.5346 119.3903 54.9230 33.1760 174.6669 92 I 5.2156 8.8271 114.8976 59.4932 41.4021 173.5744 93 S 5.3918 8.3271 115.9721 56.0934 66.3337 175.4009 94 V 3.6614 8.7494 119.6179 64.1504 31.0606 177.4345 95 V 4.2143 7.6512 112.2516 61.3973 32.4945 176.3532 96 S 4.6680 8.0235 114.9291 57.5337 62.3886 173.9172 97 H 4.3290 8.0078 118.2635 57.1958 30.4159 174.4403 98 Y 4.7653 7.5607 113.8548 58.3858 38.8725 175.8292 99 D 4.7837 7.6476 119.4115 51.1990 41.1719 172.3660 100 P 4.5774 0.0000 0.0000 62.2999 32.5734 176.3810 101 V 4.6046 8.4557 115.2372 58.5988 34.8843 175.2610 102 P 4.6477 0.0000 0.0000 65.3292 31.7465 176.8117 103 T 4.5447 7.3787 108.4278 58.2877 73.0635 172.7197 104 P 3.6663 0.0000 0.0000 65.5974 31.0664 178.6470 105 R 2.8547 7.2530 117.8527 58.7722 29.7956 178.1325 106 A 3.7815 7.9042 120.5664 54.9753 18.2906 179.5092 107 A 3.8849 7.8675 119.1297 55.0570 18.3731 179.7124 108 A 3.9717 8.2568 119.6845 55.5186 18.4580 180.0797 109 R 3.3381 8.0842 116.7250 59.1670 29.8925 179.2224 110 A 3.9880 8.2323 120.5626 54.8520 18.2889 179.6469 111 A 3.9433 8.1129 119.5616 55.2997 17.9797 179.8389 112 V 3.6390 8.0779 116.9687 66.4476 31.3661 177.8601 113 D 4.4789 8.3048 117.4656 57.5589 40.7707 178.2248 114 E 4.1217 8.1977 118.7494 59.2216 29.9212 178.5208 115 L 4.1408 8.3790 118.7679 55.2201 41.9184 176.9879 116 Q 3.4413 8.9171 116.0565 56.7951 26.8022 174.8282 117 G 3.9526 8.4291 105.3580 45.0991 0.0000 174.2289 118 A 4.1624 7.5988 123.1719 51.0987 18.9182 175.8272 119 P 4.4101 0.0000 0.0000 62.2937 32.1128 176.0913 120 L 4.2575 8.2885 123.4463 54.7081 42.8431 176.2139 121 L 4.5255 8.2126 125.1577 52.7169 42.9673 174.9680 122 P 4.2363 0.0000 0.0000 62.6115 31.7952 176.4647 123 F 4.4859 8.6223 116.8509 56.4937 38.9465 173.6943 124 P 4.3883 0.0000 0.0000 61.7475 30.4687 175.7380 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 40 A 8.26 4.30 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 41 A 8.26 4.23 1.49 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 0.00 0.00 42 P 0.00 4.50 0.00 1.64 1.84 0.00 3.72 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 2.16 0.00 43 E 8.44 4.29 0.00 2.04 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 2.36 2.28 0.00 44 S 8.41 4.80 0.00 3.91 3.85 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 45 F 8.57 5.06 0.00 3.11 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 46 D 8.72 5.03 0.00 2.61 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 47 E 9.31 4.79 0.00 2.15 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 0.00 2.38 2.41 0.00 48 V 8.36 4.76 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 0.81 0.00 0.00 0.97 0.00 0.00 49 Y 9.45 4.61 0.00 3.20 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.23 3.46 0.00 1.55 1.58 0.00 1.75 0.00 0.00 1.52 0.00 0.00 2.78 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.87 0.21 7.81 51 G 8.07 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 0.00 0.00 0.00 52 R 8.08 4.69 0.00 1.99 1.87 0.00 3.15 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 53 R 8.96 4.88 0.00 1.94 1.83 0.00 3.02 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 54 I 9.09 5.21 2.16 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 1.42 0.99 1.06 0.00 0.00 55 Q 9.23 4.68 0.00 1.94 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.77 0.00 0.00 0.00 0.00 0.00 2.16 2.24 0.00 56 G 7.59 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 0.00 0.00 0.00 57 R 7.73 4.81 0.00 1.66 1.78 0.00 2.70 0.00 0.00 3.15 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.43 0.00 58 P 0.00 4.83 0.00 2.15 2.23 0.00 3.59 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 1.96 2.01 0.00 59 A 8.66 4.42 0.95 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 0.00 0.00 *66 H 9.38 4.90 0.00 3.30 3.50 0.00 5.65 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 E 7.78 4.75 0.00 2.03 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 1.86 2.34 0.00 68 H 8.90 5.08 0.00 3.20 3.13 0.00 5.53 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 69 G 8.41 3.38 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 0.00 70 G 8.37 3.66 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 0.00 0.00 0.00 71 G 7.83 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 0.00 0.00 0.00 0.00 72 Y 7.92 5.26 0.00 3.21 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 73 E 8.73 4.74 0.00 1.82 1.53 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 2.33 2.18 0.00 74 V 8.05 4.89 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 1.00 0.00 0.00 1.12 0.00 0.00 75 F 9.36 5.30 0.00 2.93 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 76 V 8.91 4.68 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 1.07 0.00 0.00 1.02 0.00 0.00 77 D 10.25 4.30 0.00 2.83 2.74 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 0.00 0.00 0.00 78 G 8.53 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 0.00 0.00 0.00 79 V 7.56 4.30 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 1.09 0.00 0.00 1.02 0.00 0.00 80 Q 8.75 3.87 0.00 1.89 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.50 0.00 0.00 0.00 0.00 0.00 2.46 1.70 0.00 81 L 8.37 4.78 0.00 1.66 1.68 0.99 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 82 H 9.01 4.00 0.00 2.51 2.98 0.00 5.86 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 V 8.15 5.04 2.35 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 0.90 0.00 0.00 1.13 0.00 0.00 84 M 9.03 4.81 0.00 1.72 1.76 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.29 0.00 85 R 7.90 3.54 0.00 0.67 1.18 0.00 2.83 0.00 0.00 2.90 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.54 0.00 86 N 8.66 4.62 0.00 2.60 2.58 0.00 0.00 6.57 7.54 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 87 A 8.67 3.90 1.22 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 0.00 0.00 0.00 88 D 7.89 4.51 0.00 2.74 2.74 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 0.00 0.00 0.00 89 G 8.33 3.85 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 0.00 0.00 0.00 90 S 8.10 4.70 0.00 4.04 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 91 W 9.53 5.37 0.00 3.13 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 92 I 8.83 5.22 1.83 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.42 0.81 0.00 0.00 93 S 8.33 5.39 0.00 4.07 4.01 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 94 V 8.75 3.66 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 0.75 0.00 0.00 0.86 0.00 0.00 95 V 7.65 4.21 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 0.72 0.00 0.00 0.98 0.00 0.00 96 S 8.02 4.67 0.00 3.84 3.71 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 0.00 0.00 0.00 97 H 8.01 4.33 0.00 2.92 2.53 0.00 5.72 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 Y 7.56 4.77 0.00 3.08 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 99 D 7.65 4.78 0.00 2.62 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 0.00 100 P 0.00 4.58 0.00 2.07 1.94 0.00 3.68 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 2.01 2.08 0.00 101 V 8.46 4.60 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 0.78 0.00 0.00 0.96 0.00 0.00 102 P 0.00 4.65 0.00 2.17 2.19 0.00 3.71 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 1.95 1.93 0.00 103 T 7.38 4.54 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 1.12 0.00 0.00 104 P 0.00 3.67 0.00 1.93 0.93 0.00 3.06 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.44 0.00 105 R 7.25 2.85 0.00 0.67 1.32 0.00 2.97 0.00 0.00 2.93 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.88 0.00 106 A 7.90 3.78 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 0.00 107 A 7.87 3.88 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 A 8.26 3.97 1.49 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 0.00 0.00 109 R 8.08 3.34 0.00 1.55 1.01 0.00 2.73 0.00 0.00 2.45 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.34 0.00 110 A 8.23 3.99 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 0.00 111 A 8.11 3.94 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 V 8.08 3.64 2.56 0.00 0.00 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 0.00 0.00 1.13 0.00 0.00 113 D 8.30 4.48 0.00 2.96 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 0.00 114 E 8.20 4.12 0.00 2.17 2.19 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 2.37 2.75 0.00 115 L 8.38 4.14 0.00 1.79 1.88 1.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 116 Q 8.92 3.44 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.44 0.00 0.00 0.00 0.00 0.00 2.33 2.57 0.00 117 G 8.43 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 0.00 0.00 0.00 118 A 7.60 4.16 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 0.00 119 P 0.00 4.41 0.00 2.07 2.02 0.00 3.70 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 2.04 2.09 0.00 120 L 8.29 4.26 0.00 1.64 1.61 0.98 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 121 L 8.21 4.53 0.00 1.70 1.58 0.94 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 122 P 0.00 4.24 0.00 1.93 1.84 0.00 3.66 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 2.04 0.00 123 F 8.62 4.49 0.00 3.03 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 0.00 124 P 0.00 4.39 0.00 2.18 2.11 0.00 4.20 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 2.21 2.11 0.00 * Residues marked with a * may have inaccurate shift predictions.