NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 77 M 4.5659 8.1476 118.3280 55.0010 33.2798 174.1154 78 Q 4.2822 8.5555 123.1790 54.0305 29.7722 173.6556 79 I 4.5305 9.2083 119.4891 59.1679 41.2070 175.5852 80 F 5.2036 8.8036 122.2091 55.9699 41.5219 175.0988 81 V 4.7796 8.8908 122.9740 61.1661 34.0358 175.2265 82 K 5.4844 9.0933 128.0047 55.6129 33.9910 176.3168 83 T 5.2709 7.9587 110.5805 60.8453 71.1121 173.9109 84 L 4.7269 8.4536 122.1078 55.4568 42.0013 177.1404 85 T 4.5782 7.5519 106.3390 61.3177 69.3679 173.3644 86 G 3.8646 8.3996 107.0472 47.7059 0.0000 174.4450 87 K 4.6012 7.7879 118.3499 54.5602 35.3774 174.9918 88 T 5.2062 8.7117 123.5305 61.8630 71.2569 173.5368 89 I 4.6411 8.7311 126.1573 59.8323 40.6563 174.5038 90 T 4.7235 8.4824 122.1894 61.8380 70.2654 173.8717 91 L 4.6555 8.4488 126.3381 52.5591 45.2727 175.6837 92 E 4.2536 8.8740 123.5958 56.8058 29.6587 176.0867 93 V 4.4744 8.1737 120.2806 60.1009 35.1568 174.4699 94 E 4.7630 7.9983 118.7074 54.8101 33.7596 174.4852 95 P 4.3659 0.0000 0.0000 64.8109 31.6141 177.4857 96 S 4.4570 7.8695 112.5013 58.0247 62.6321 172.8302 97 D 4.7127 7.7054 119.5288 53.3825 41.8353 176.3529 98 T 4.5994 8.1499 113.4873 61.3950 71.2223 175.9658 99 I 3.6704 8.4478 124.0253 64.6154 37.1871 178.4999 100 E 3.9263 8.1508 119.6791 59.2720 29.4798 178.5437 101 N 4.3389 7.9262 116.3671 56.1688 38.6061 177.5598 102 V 3.5621 7.7289 119.5814 65.9576 31.6195 178.1887 103 K 3.9503 8.2875 118.1182 59.4491 31.9748 179.1778 104 A 4.0229 7.9131 120.9502 54.8391 18.3711 179.8560 105 K 3.8924 7.8880 116.9991 59.8847 32.1912 179.7462 106 I 3.7680 7.7792 119.8475 64.2378 36.9160 178.3232 107 Q 4.6365 8.0040 122.0410 58.4865 28.6138 177.4171 108 D 4.4276 7.7433 117.8519 56.4274 41.3447 177.8703 109 K 4.1879 7.6021 118.1759 59.1536 32.5112 178.7414 110 E 4.1843 8.3440 118.8387 57.2285 29.5268 177.9121 111 G 4.3109 8.2804 105.5842 46.9475 0.0000 172.7240 112 I 4.5093 7.4463 119.2219 57.9579 39.5581 173.7930 113 P 4.6237 0.0000 0.0000 62.0346 32.1273 175.7763 114 P 4.2669 0.0000 0.0000 65.8693 31.6532 178.3173 115 D 4.4062 8.1604 117.7191 56.8324 41.1332 176.5667 116 Q 4.7010 7.8389 117.5615 55.7980 29.9938 175.0078 117 Q 5.0510 8.2127 118.0262 54.1403 31.9300 175.2982 118 R 4.5342 8.9253 123.0087 54.3389 33.0947 174.8120 119 L 4.7142 8.4298 125.0217 53.9106 43.4814 175.9954 120 I 4.8534 8.8215 124.7670 59.4829 40.6336 174.2398 121 F 4.8924 9.2209 130.5313 56.7613 40.5305 175.2460 122 A 3.4345 9.5891 128.3108 52.9171 16.0910 176.7593 123 G 3.8374 9.1387 103.7344 47.2026 0.0000 175.3875 124 K 4.3798 7.9450 118.0230 54.0567 34.7372 175.8587 125 Q 4.4949 8.6602 126.2768 56.1724 29.3025 175.9236 126 L 3.7876 8.5585 127.3568 54.3768 42.6251 176.5005 127 E 4.4575 8.8832 121.5600 55.6051 30.5408 177.8364 128 D 4.3519 8.9540 123.1590 56.9998 41.2493 178.0238 129 G 3.7518 7.9930 106.9919 47.5019 0.0000 174.2895 130 R 4.3012 7.6527 119.1533 55.9387 30.8133 175.4018 131 T 5.7956 8.3614 108.9245 59.5952 71.4655 174.8254 132 L 4.3262 8.3561 119.6153 57.7229 42.2615 179.5541 133 S 4.1820 8.1912 113.7579 61.1126 63.1399 176.1933 134 D 4.2612 7.5421 120.6455 56.6115 40.5470 176.6329 135 Y 4.4845 7.8909 115.2280 57.3959 38.3189 174.8803 136 N 4.1296 7.9568 114.5419 54.1410 36.8728 174.6599 137 I 3.6852 7.4642 119.0100 60.8863 37.2623 175.9563 138 Q 4.5942 8.1614 126.7068 53.9468 31.5174 175.5710 139 K 4.1182 8.3577 116.7823 58.3660 33.1562 176.2236 140 E 4.2561 8.6867 117.5340 57.6066 28.0079 174.9278 141 S 4.6513 7.6147 113.9077 58.7644 64.0960 173.7324 142 T 5.0717 8.7588 121.1227 63.0364 69.8047 174.1702 143 L 4.9881 8.7450 124.8386 53.2468 45.8200 175.4696 144 H 4.7453 9.1907 121.5658 55.3638 29.4196 174.2369 145 L 4.9166 8.5996 126.5447 54.0051 43.4114 175.6397 146 V 4.5998 8.6334 123.7200 61.1702 35.9685 173.7428 147 L 5.4421 8.2965 122.8067 52.2417 43.0246 176.8272 148 R 4.3852 8.4844 124.4802 55.6895 31.4652 174.7697 149 L 4.8684 8.2567 120.9878 53.0684 45.4175 177.4680 150 R 4.2148 8.3040 121.1715 54.7127 28.5628 176.3056 151 G 3.9433 7.7802 109.4893 44.3447 0.0000 171.4444 152 G 3.4198 8.6747 106.2752 45.0230 0.0000 173.5285 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 77 M 8.15 4.57 0.00 2.09 2.27 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.70 0.00 78 Q 8.56 4.28 0.00 1.94 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.83 0.00 0.00 0.00 0.00 0.00 2.30 2.20 0.00 79 I 9.21 4.53 1.83 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 1.27 0.62 0.89 0.00 0.00 80 F 8.80 5.20 0.00 3.07 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.89 4.78 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 1.09 0.00 0.00 0.94 0.00 0.00 82 K 9.09 5.48 0.00 1.71 1.69 0.00 1.62 0.00 0.00 1.73 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.23 7.81 83 T 7.96 5.27 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 1.28 0.00 0.00 84 L 8.45 4.73 0.00 1.66 1.72 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 85 T 7.55 4.58 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 86 G 8.40 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 87 K 7.79 4.60 0.00 1.87 1.64 0.00 1.59 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.39 7.81 88 T 8.71 5.21 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 1.35 0.00 0.00 89 I 8.73 4.64 1.89 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 1.25 0.75 0.91 0.00 0.00 90 T 8.48 4.72 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 0.77 0.00 0.00 91 L 8.45 4.66 0.00 1.45 1.46 0.89 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 92 E 8.87 4.25 0.00 1.81 1.89 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 2.26 2.27 0.00 93 V 8.17 4.47 2.04 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 0.69 0.00 0.00 0.98 0.00 0.00 94 E 8.00 4.76 0.00 2.07 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 2.20 2.21 0.00 95 P 0.00 4.37 0.00 2.20 2.28 0.00 3.65 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.94 0.00 96 S 7.87 4.46 0.00 3.83 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 97 D 7.71 4.71 0.00 2.93 2.54 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 98 T 8.15 4.60 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 99 I 8.45 3.67 2.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.82 0.85 0.00 0.00 100 E 8.15 3.93 0.00 2.12 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 0.00 2.37 2.40 0.00 101 N 7.93 4.34 0.00 2.99 2.83 0.00 0.00 6.59 8.87 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 0.00 102 V 7.73 3.56 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 1.00 0.00 0.00 0.94 0.00 0.00 103 K 8.29 3.95 0.00 2.01 1.84 0.00 1.71 0.00 0.00 1.78 0.00 0.00 2.93 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.44 1.67 7.81 104 A 7.91 4.02 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 0.00 105 K 7.89 3.89 0.00 2.03 1.84 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.46 7.81 106 I 7.78 3.77 2.13 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 0.74 0.96 0.00 0.00 107 Q 8.00 4.64 0.00 2.23 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 108 D 7.74 4.43 0.00 2.74 2.77 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 0.00 109 K 7.60 4.19 0.00 1.79 1.81 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.60 7.81 110 E 8.34 4.18 0.00 2.11 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 0.00 2.35 2.47 0.00 111 G 8.28 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 0.00 0.00 0.00 0.00 112 I 7.45 4.51 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 1.47 0.99 0.91 0.00 0.00 113 P 0.00 4.62 0.00 2.21 2.17 0.00 3.69 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 114 P 0.00 4.27 0.00 2.23 2.34 0.00 3.70 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.98 0.00 115 D 8.16 4.41 0.00 2.69 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 0.00 116 Q 7.84 4.70 0.00 2.11 2.08 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 2.30 2.32 0.00 117 Q 8.21 5.05 0.00 2.11 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.19 6.67 0.00 0.00 0.00 0.00 0.00 2.27 2.47 0.00 118 R 8.93 4.53 0.00 1.72 1.82 0.00 3.11 0.00 0.00 3.17 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 119 L 8.43 4.71 0.00 1.54 1.53 0.88 0.72 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 0.00 120 I 8.82 4.85 2.04 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 1.12 0.87 0.93 0.00 0.00 121 F 9.22 4.89 0.00 3.07 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 0.00 122 A 9.59 3.43 0.92 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 0.00 0.00 123 G 9.14 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 0.00 124 K 7.95 4.38 0.00 2.21 1.89 0.00 1.89 0.00 0.00 1.83 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.43 7.81 125 Q 8.66 4.49 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 7.02 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 126 L 8.56 3.79 0.00 1.31 1.06 0.67 -0.60 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 0.00 127 E 8.88 4.46 0.00 2.12 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 2.36 2.43 0.00 128 D 8.95 4.35 0.00 2.67 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 0.00 129 G 7.99 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 0.00 0.00 0.00 130 R 7.65 4.30 0.00 2.20 2.13 0.00 3.23 0.00 0.00 3.32 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.80 0.00 131 T 8.36 5.80 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 1.25 0.00 0.00 132 L 8.36 4.33 0.00 1.71 1.69 0.91 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 133 S 8.19 4.18 0.00 4.00 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 0.00 134 D 7.54 4.26 0.00 3.02 2.34 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 0.00 135 Y 7.89 4.48 0.00 2.78 2.87 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 0.00 136 N 7.96 4.13 0.00 2.88 2.91 0.00 0.00 6.88 7.07 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 0.00 137 I 7.46 3.69 1.80 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.18 0.22 0.71 0.00 0.00 138 Q 8.16 4.59 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.03 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 139 K 8.36 4.12 0.00 1.95 1.95 0.00 1.69 0.00 0.00 1.84 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.51 7.81 140 E 8.69 4.26 0.00 2.27 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.38 0.00 141 S 7.61 4.65 0.00 4.08 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 0.00 142 T 8.76 5.07 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 1.16 0.00 0.00 143 L 8.75 4.99 0.00 1.64 1.59 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 144 H 9.19 4.75 0.00 3.37 3.28 0.00 5.80 0.00 0.00 0.00 0.00 6.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 L 8.60 4.92 0.00 1.63 1.70 0.96 0.77 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 0.00 146 V 8.63 4.60 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 1.00 0.00 0.00 0.94 0.00 0.00 147 L 8.30 5.44 0.00 1.54 1.57 0.92 1.07 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 0.00 148 R 8.48 4.39 0.00 1.82 1.82 0.00 3.18 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 149 L 8.26 4.87 0.00 1.62 1.52 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 150 R 8.30 4.21 0.00 1.75 1.84 0.00 3.30 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 151 G 7.78 3.94 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 0.00 0.00 0.00 152 G 8.67 3.42 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 0.00