NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 K 4.2536 8.3144 122.1396 54.2493 33.3094 173.8626 7 L 3.9961 8.3745 118.5873 54.7451 42.5488 176.9760 8 S 4.3953 9.2928 122.7105 57.2922 66.2577 172.5351 9 P 4.1707 0.0000 0.0000 66.0307 31.0626 178.5831 10 A 3.9928 8.0189 118.5786 55.5238 18.3057 179.2119 11 D 4.3043 8.2864 117.2710 57.3456 40.7569 179.1377 12 K 3.8828 8.5107 119.3494 59.6234 32.0627 179.1752 13 L 3.9322 8.3800 119.4511 57.7980 41.5865 179.7487 14 K 3.9079 8.3867 119.7774 59.3696 31.9469 178.3470 15 N 4.2235 7.8115 115.9133 56.7973 39.0153 176.3046 16 I 3.8214 7.5969 119.7716 64.7596 37.5443 178.1691 17 S 4.3031 8.2968 115.9548 61.5012 62.7070 177.2743 18 S 4.4001 7.8515 113.8074 58.7359 62.0992 175.7429 *20 L 4.2877 7.9261 121.8370 54.3249 43.6297 179.0793 21 E 3.9846 8.2940 118.0785 59.2745 29.0133 178.8484 22 E 3.9270 7.8854 118.4219 59.5118 29.9199 178.8240 23 I 3.8891 7.5569 119.1775 64.3454 37.0957 178.2247 24 V 3.6036 7.6168 118.0152 65.8061 31.3849 177.0767 25 E 4.5613 7.9059 115.3680 55.7027 30.1654 175.8559 26 D 4.5488 7.7767 120.3360 53.6177 40.7039 176.7641 27 T 3.9497 8.5003 125.0131 66.6582 68.6064 175.8721 28 T 4.1180 7.9058 109.2053 62.5709 69.2998 174.5019 29 V 4.1964 7.3117 122.7694 60.4602 32.9359 173.7068 30 P 4.3482 0.0000 0.0000 62.8860 32.1585 177.1484 31 R 3.8985 8.7640 121.4252 59.7294 29.9975 178.7678 32 N 4.4394 8.1258 116.0908 55.6566 37.3365 177.2657 33 I 3.7482 7.7552 122.4677 64.1601 37.3147 178.0158 34 R 3.8879 8.1088 118.3028 59.5663 29.8730 178.6447 35 A 3.9447 8.0494 119.8416 55.1540 18.2687 179.5239 36 A 3.9106 8.0595 119.0450 55.2001 18.4431 179.7452 37 A 3.9030 8.0582 119.4172 55.2113 18.3247 179.4388 38 D 4.2107 7.9604 116.6844 57.3312 41.2398 178.0817 39 N 3.9146 8.3051 117.2041 56.1111 38.2317 176.9242 40 A 3.9876 7.5827 120.7778 55.1554 18.6173 179.0491 41 K 3.8901 7.9415 117.8216 59.9348 32.1354 178.5934 42 N 4.3688 8.3217 116.4378 56.3400 37.9899 177.0346 43 A 4.0325 8.1715 122.2514 55.4064 18.2028 179.3598 44 L 3.7774 7.5292 115.6218 57.1349 41.6860 178.3655 45 H 4.9062 8.0011 115.7547 56.5968 30.0647 175.0618 46 N 4.5487 7.5896 118.2027 53.5312 36.5053 175.1281 47 E 4.2375 8.4634 119.1934 57.1209 29.7091 178.0600 48 E 4.0611 8.1470 121.2649 58.9390 29.9886 177.0957 49 Q 4.3890 7.8207 116.6217 54.9220 30.0034 176.2769 50 E 4.2688 8.4335 120.8208 55.5826 31.7081 178.0333 51 L 3.9694 8.5300 121.2071 58.4700 41.7370 180.1230 52 I 3.8474 7.7000 111.7590 63.4177 37.6798 178.2906 53 V 3.5413 7.6956 119.9588 65.9933 31.5271 177.8850 54 R 4.0487 7.9812 117.8293 59.4836 29.8174 179.3190 55 S 4.0869 8.2940 114.5986 61.6006 62.8921 176.5554 56 A 3.9993 7.9731 123.4065 55.3574 17.8740 179.9244 57 T 3.7380 8.2483 114.2602 66.7098 68.4598 176.6607 58 A 4.2181 7.9708 122.6073 55.4374 18.4306 179.5237 59 I 3.6668 8.0910 118.5711 64.6004 37.1796 178.1846 60 Q 3.8854 8.0675 120.1468 59.6287 28.5536 178.1109 61 Y 4.1972 7.5743 117.4923 61.2984 37.8851 178.9218 62 L 4.1160 7.9244 119.8958 57.7665 41.5306 179.2473 63 D 4.3933 8.4688 118.5359 57.5296 40.8530 178.3058 64 D 4.4755 8.1095 118.3722 56.9609 40.9785 178.0158 65 I 4.0846 7.5307 118.7285 62.6220 37.9818 177.2624 66 S 4.2124 7.9262 113.1752 59.9567 62.6789 174.2182 67 E 4.4179 7.8075 120.4610 55.8130 29.9995 174.9741 68 D 4.4642 8.0846 119.0765 54.3099 41.5761 174.5332 69 P 4.3565 0.0000 0.0000 64.4337 31.8036 175.6599 70 N 4.6857 8.4663 117.8875 51.1952 39.7108 173.2122 *72 P 4.2053 0.0000 0.0000 61.7960 34.1237 177.1087 73 I 3.6960 8.3228 122.4747 65.2953 37.1236 178.3518 74 H 4.3032 8.1976 114.9695 59.0733 28.3710 177.5690 75 T 4.1645 7.4181 119.3221 65.6890 68.2918 176.4220 76 R 3.9237 8.2027 120.8697 59.8313 30.1248 178.7427 77 T 4.1123 7.9017 115.1049 66.7570 68.2862 176.6946 78 Q 4.0276 8.2875 119.9032 59.2137 28.7174 178.9918 79 I 3.7478 8.1958 121.1453 64.0774 36.9975 178.3228 80 W 4.3464 8.6618 129.5790 60.2504 30.5439 178.1794 81 G 3.2165 7.9759 105.5772 47.7257 0.0000 175.4105 82 I 3.6334 7.6281 122.7816 63.9923 37.2073 178.6011 83 V 3.5484 7.9552 118.8687 66.1885 31.1712 177.8808 84 S 4.0666 7.7907 113.5990 61.9087 62.9375 176.5357 85 E 4.0375 8.0787 120.7754 59.4155 29.2913 179.3001 86 L 3.9902 8.2926 119.3965 57.8251 41.4700 178.8174 87 E 4.2873 8.1118 116.1551 57.6649 29.5957 177.9857 88 T 4.5416 7.6541 109.3064 61.3734 69.6382 174.8122 89 I 3.9126 7.2389 122.4627 61.1567 36.4997 175.8609 90 K 4.1169 8.2327 125.7849 56.5787 32.2008 175.7077 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 6 K 8.31 4.25 0.00 1.79 1.72 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 7 L 8.37 4.00 0.00 1.65 1.60 0.91 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 8 S 9.29 4.40 0.00 4.08 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 9 P 0.00 4.17 0.00 2.17 2.16 0.00 3.60 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 10 A 8.02 3.99 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 11 D 8.29 4.30 0.00 2.93 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.51 3.88 0.00 1.94 1.83 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.44 1.57 7.81 13 L 8.38 3.93 0.00 1.78 1.72 0.91 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.39 3.91 0.00 1.93 1.97 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.45 7.81 15 N 7.81 4.22 0.00 2.89 2.95 0.00 0.00 7.30 7.97 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 16 I 7.60 3.82 1.85 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 1.53 0.74 0.89 0.00 0.00 17 S 8.30 4.30 0.00 3.97 3.92 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 0.00 0.00 0.00 18 S 7.85 4.40 0.00 3.97 3.96 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 *20 L 7.93 4.29 0.00 1.93 1.72 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.29 3.98 0.00 2.25 2.00 0.00 0.00 0.00 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 2.47 0.00 22 E 7.89 3.93 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 23 I 7.56 3.89 2.00 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 1.69 0.38 0.91 0.00 0.00 24 V 7.62 3.60 2.21 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 0.82 0.00 0.00 1.04 0.00 0.00 25 E 7.91 4.56 0.00 2.07 1.97 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 2.30 2.36 0.00 26 D 7.78 4.55 0.00 2.92 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 27 T 8.50 3.95 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 28 T 7.91 4.12 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 1.22 0.00 0.00 29 V 7.31 4.20 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 0.79 0.00 0.00 1.02 0.00 0.00 30 P 0.00 4.35 0.00 2.22 1.98 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 2.27 2.10 0.00 31 R 8.76 3.90 0.00 1.87 1.93 0.00 3.18 0.00 0.00 3.39 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 32 N 8.13 4.44 0.00 2.97 3.07 0.00 0.00 6.27 7.74 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 33 I 7.76 3.75 1.99 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 1.53 0.57 0.92 0.00 0.00 34 R 8.11 3.89 0.00 2.04 2.00 0.00 3.40 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.85 0.00 35 A 8.05 3.94 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 36 A 8.06 3.91 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 37 A 8.06 3.90 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 38 D 7.96 4.21 0.00 2.90 2.71 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 39 N 8.31 3.91 0.00 2.23 1.42 0.00 0.00 6.91 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 A 7.58 3.99 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 41 K 7.94 3.89 0.00 1.95 1.97 0.00 1.77 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.47 7.81 42 N 8.32 4.37 0.00 2.82 2.84 0.00 0.00 6.95 8.19 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 43 A 8.17 4.03 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 44 L 7.53 3.78 0.00 1.63 1.65 0.88 1.09 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 45 H 8.00 4.91 0.00 3.25 3.33 0.00 5.68 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 N 7.59 4.55 0.00 2.75 2.82 0.00 0.00 6.92 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 47 E 8.46 4.24 0.00 1.96 2.00 0.00 0.00 0.00 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 2.53 0.00 48 E 8.15 4.06 0.00 1.91 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 0.00 2.30 2.40 0.00 49 Q 7.82 4.39 0.00 2.11 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.72 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 50 E 8.43 4.27 0.00 2.01 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 0.00 2.40 2.40 0.00 51 L 8.53 3.97 0.00 1.68 1.74 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 52 I 7.70 3.85 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 1.52 0.62 0.95 0.00 0.00 53 V 7.70 3.54 2.20 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 1.21 0.00 0.00 0.93 0.00 0.00 54 R 7.98 4.05 0.00 2.07 1.98 0.00 3.32 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.82 0.00 55 S 8.29 4.09 0.00 3.87 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 56 A 7.97 4.00 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 57 T 8.25 3.74 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 1.27 0.00 0.00 58 A 7.97 4.22 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.09 3.67 2.03 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 0.68 0.96 0.00 0.00 60 Q 8.07 3.89 0.00 2.23 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.77 0.00 0.00 0.00 0.00 0.00 2.15 2.27 0.00 61 Y 7.57 4.20 0.00 3.21 2.94 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 62 L 7.92 4.12 0.00 1.83 1.76 0.95 1.11 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 63 D 8.47 4.39 0.00 2.73 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 64 D 8.11 4.48 0.00 2.80 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 65 I 7.53 4.08 2.04 0.00 0.00 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 1.60 1.55 1.00 0.00 0.00 66 S 7.93 4.21 0.00 4.07 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 0.00 67 E 7.81 4.42 0.00 1.92 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 0.00 2.21 2.33 0.00 68 D 8.08 4.46 0.00 2.78 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 69 P 0.00 4.36 0.00 2.22 2.16 0.00 3.80 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 70 N 8.47 4.69 0.00 2.85 2.79 0.00 0.00 6.95 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 *72 P 0.00 4.21 0.00 2.01 2.00 0.00 3.59 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 1.95 2.17 0.00 73 I 8.32 3.70 1.91 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 1.70 1.15 0.93 0.00 0.00 74 H 8.20 4.30 0.00 3.37 3.57 0.00 5.46 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 T 7.42 4.16 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 1.19 0.00 0.00 76 R 8.20 3.92 0.00 1.98 2.06 0.00 3.07 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 77 T 7.90 4.11 4.51 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 1.45 0.00 0.00 78 Q 8.29 4.03 0.00 2.32 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.63 0.00 79 I 8.20 3.75 2.14 0.00 0.00 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 1.44 0.78 0.98 0.00 0.00 80 W 8.66 4.35 0.00 3.36 3.50 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 81 G 7.98 3.22 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 0.00 82 I 7.63 3.63 2.01 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 1.38 0.61 0.90 0.00 0.00 83 V 7.96 3.55 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 1.09 0.00 0.00 0.97 0.00 0.00 84 S 7.79 4.07 0.00 3.64 3.68 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 0.00 0.00 0.00 85 E 8.08 4.04 0.00 2.09 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 2.24 2.34 0.00 86 L 8.29 3.99 0.00 1.80 1.72 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 87 E 8.11 4.29 0.00 2.08 2.00 0.00 0.00 0.00 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 88 T 7.65 4.54 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 1.23 0.00 0.00 89 I 7.24 3.91 1.97 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 1.17 0.52 0.90 0.00 0.00 90 K 8.23 4.12 0.00 1.64 1.59 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.42 7.81 * Residues marked with a * may have inaccurate shift predictions.