NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 102 R 4.2259 8.2549 120.8357 55.1065 31.6966 175.4221 103 S 4.1001 7.7744 110.3536 57.1020 67.6274 174.1657 104 F 4.6483 8.2460 120.6582 56.7546 39.9986 174.6072 105 V 5.5715 8.0540 123.3053 58.9242 33.1847 175.4517 106 C 4.2430 8.9549 124.7770 59.5030 32.7032 173.1257 107 E 4.5547 8.8211 124.2256 56.5581 29.4842 176.8537 108 V 4.2074 7.9919 118.9821 64.0090 33.4168 176.0432 109 C 4.7557 7.9612 110.3528 56.9171 30.1662 173.5090 110 T 3.6383 8.1090 107.6479 61.7743 67.2908 171.2069 111 R 4.6137 7.6644 117.5039 56.1750 32.9256 175.2928 112 A 5.3194 8.2319 118.9724 50.9457 22.1756 175.4946 113 F 4.6176 8.9462 116.7809 56.5178 44.1832 175.4025 114 A 5.0881 8.6375 120.1673 52.4201 19.7472 175.8912 115 R 4.3129 7.6413 116.1531 55.3691 34.5014 175.8372 116 Q 3.3568 7.9282 119.8977 58.5574 29.4537 177.9327 117 E 3.9565 7.8190 119.1395 59.4585 29.6439 178.6141 118 H 3.9992 8.0305 116.0686 58.7857 28.9837 177.4107 119 L 3.3378 7.2435 121.4470 57.1427 41.2598 179.0734 120 K 3.8338 7.6589 120.0443 59.7570 32.0344 178.8043 121 R 3.9363 7.6341 117.5317 59.4871 29.7669 177.6628 122 H 4.2439 8.0878 117.6761 58.8861 29.8800 176.4799 123 Y 4.2168 7.9742 121.5581 60.1923 38.3926 177.3128 124 R 3.9551 7.6435 118.4444 58.2608 30.1798 176.5069 125 S 4.9938 7.1579 110.9442 57.9930 63.5483 174.0949 126 H 4.9449 7.7794 114.7756 56.5825 30.3407 174.3033 127 T 4.3568 7.8924 109.0356 63.2434 71.4072 174.4536 128 N 4.7124 7.9706 116.6813 52.7877 38.6554 174.8298 129 E 4.2599 7.6628 119.3310 54.7231 31.1256 175.6304 130 K 4.1451 8.3941 119.0595 56.7176 31.7826 175.7124 131 P 4.5399 0.0000 0.0000 63.1700 31.9184 176.3566 132 Y 4.9403 7.4047 115.9064 55.9797 37.8260 171.8109 133 P 4.8955 0.0000 0.0000 62.0273 33.0522 177.0514 134 C 4.2856 9.0667 126.5838 59.0252 32.6897 173.9933 135 G 4.2734 8.6671 114.8031 45.7487 0.0000 174.1817 136 L 4.5448 8.1165 119.6596 55.2792 44.0975 177.3700 137 C 4.6145 8.0340 108.9548 57.0085 31.3261 172.1967 138 N 4.2073 7.7891 116.3921 55.1870 36.7652 171.6673 139 R 4.8963 7.4394 117.7025 54.5915 34.6640 175.8340 140 A 5.0050 7.7106 119.1734 51.1412 22.1631 175.6096 141 F 4.9825 8.8842 118.7481 56.2077 42.7572 174.9063 142 T 4.5687 8.9434 108.3926 62.2677 70.4763 175.4162 143 R 4.6689 7.6103 119.6901 54.0471 34.0243 176.8049 144 R 2.5100 7.7338 120.5493 58.9011 30.3171 178.4786 145 D 4.2200 7.7614 118.4621 56.1008 39.3101 178.6225 146 L 3.7190 7.1602 119.6855 57.6069 41.5355 178.8844 147 L 3.0544 6.7696 119.5067 57.9715 41.8551 179.2432 148 I 3.5958 7.1838 119.5500 64.3657 36.6849 178.3761 149 R 3.9559 7.6745 118.5187 58.7136 29.8180 177.9900 150 H 4.0719 7.7356 118.0485 59.3557 29.9764 176.9415 151 A 3.9560 7.6308 122.2817 55.4684 18.3981 179.5449 152 Q 4.2689 7.8261 117.6134 57.9180 28.4843 179.0579 153 K 4.2961 7.3839 117.4076 56.7462 32.8786 176.7167 154 I 4.2607 7.2351 116.4880 63.1618 38.6204 176.1364 155 H 4.3363 7.3062 116.4331 55.4698 29.3973 178.6921 156 S 4.7629 7.4596 116.0976 59.4068 70.0800 176.7680 157 G 4.7644 8.2362 111.1445 45.0520 0.0000 173.2797 158 N 4.0191 9.9824 115.3848 54.2064 35.9943 173.4268 159 L 3.3952 8.4004 120.7062 53.9059 39.6013 173.0958 160 G 4.2021 9.3196 109.7534 43.3309 0.0000 170.5149 161 E 4.0944 8.2874 118.7773 56.8739 29.5747 174.8808 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 102 R 8.25 4.23 0.00 1.70 1.69 0.00 3.25 0.00 0.00 3.19 7.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.67 0.00 103 S 7.77 4.10 0.00 3.93 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 0.00 104 F 8.25 4.65 0.00 3.19 3.07 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 0.00 105 V 8.05 5.57 2.16 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 0.58 0.00 0.00 1.01 0.00 0.00 106 C 8.95 4.24 0.00 3.15 2.97 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 0.00 107 E 8.82 4.55 0.00 2.10 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 2.29 2.27 0.00 108 V 7.99 4.21 1.61 0.00 0.00 0.00 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 0.89 0.00 0.00 109 C 7.96 4.76 0.00 3.13 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 0.00 110 T 8.11 3.64 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 1.23 0.00 0.00 111 R 7.66 4.61 0.00 1.96 2.21 0.00 3.11 0.00 0.00 3.38 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.99 0.00 112 A 8.23 5.32 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 0.00 113 F 8.95 4.62 0.00 3.37 3.05 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 0.00 0.00 0.00 0.00 114 A 8.64 5.09 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 0.00 115 R 7.64 4.31 0.00 1.67 1.67 0.00 3.20 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.42 0.00 116 Q 7.93 3.36 0.00 1.73 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.86 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 117 E 7.82 3.96 0.00 2.00 1.91 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 2.33 2.33 0.00 118 H 8.03 4.00 0.00 3.19 3.45 0.00 5.82 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 L 7.24 3.34 0.00 1.51 1.46 1.08 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 120 K 7.66 3.83 0.00 1.98 1.83 0.00 1.58 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.46 7.81 121 R 7.63 3.94 0.00 1.84 1.90 0.00 3.29 0.00 0.00 3.13 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 122 H 8.09 4.24 0.00 3.25 3.18 0.00 5.83 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 Y 7.97 4.22 0.00 3.26 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 0.00 124 R 7.64 3.96 0.00 1.87 1.90 0.00 3.29 0.00 0.00 3.26 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 125 S 7.16 4.99 0.00 3.97 3.79 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 0.00 0.00 0.00 126 H 7.78 4.94 0.00 2.86 2.94 0.00 5.60 0.00 0.00 0.00 0.00 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 T 7.89 4.36 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 0.91 0.00 0.00 128 N 7.97 4.71 0.00 2.66 2.83 0.00 0.00 6.89 7.64 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 0.00 129 E 7.66 4.26 0.00 2.01 1.84 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 2.30 2.32 0.00 130 K 8.39 4.15 0.00 1.80 2.00 0.00 1.59 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.58 1.45 7.81 131 P 0.00 4.54 0.00 1.53 1.90 0.00 3.93 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 1.56 1.85 0.00 132 Y 7.40 4.94 0.00 3.33 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 0.00 133 P 0.00 4.90 0.00 2.11 2.10 0.00 3.81 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.96 0.00 134 C 9.07 4.29 0.00 3.50 3.10 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 0.00 0.00 0.00 135 G 8.67 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 0.00 136 L 8.12 4.54 0.00 1.08 1.34 0.70 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 137 C 8.03 4.61 0.00 3.14 3.20 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 0.00 138 N 7.79 4.21 0.00 3.00 2.96 0.00 0.00 6.94 7.53 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 0.00 139 R 7.44 4.90 0.00 1.73 1.39 0.00 3.02 0.00 0.00 3.13 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 140 A 7.71 5.00 1.07 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 0.00 141 F 8.88 4.98 0.00 3.08 2.97 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 0.00 142 T 8.94 4.57 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 1.27 0.00 0.00 143 R 7.61 4.67 0.00 1.76 1.93 0.00 3.11 0.00 0.00 3.24 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 144 R 7.73 2.51 0.00 1.58 1.70 0.00 3.29 0.00 0.00 3.39 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 145 D 7.76 4.22 0.00 2.89 2.82 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 0.00 0.00 0.00 0.00 146 L 7.16 3.72 0.00 1.85 1.47 1.01 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 147 L 6.77 3.05 0.00 1.60 1.51 1.18 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 148 I 7.18 3.60 1.89 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 1.34 0.71 0.85 0.00 0.00 149 R 7.67 3.96 0.00 1.80 1.92 0.00 3.21 0.00 0.00 3.07 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.74 0.00 150 H 7.74 4.07 0.00 2.88 3.22 0.00 5.83 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 A 7.63 3.96 1.36 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 0.00 0.00 0.00 152 Q 7.83 4.27 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.55 0.00 0.00 0.00 0.00 0.00 2.44 2.51 0.00 153 K 7.38 4.30 0.00 1.70 1.84 0.00 1.63 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.58 7.81 154 I 7.24 4.26 1.76 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 1.29 0.46 0.79 0.00 0.00 155 H 7.31 4.34 0.00 3.13 3.16 0.00 5.77 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 0.00 156 S 7.46 4.76 0.00 3.97 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 0.00 157 G 8.24 4.76 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 0.00 158 N 9.98 4.02 0.00 2.88 2.91 0.00 0.00 6.72 7.85 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 0.00 159 L 8.40 3.40 0.00 1.74 1.67 0.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 160 G 9.32 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 0.00 0.00 0.00 161 E 8.29 4.09 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 2.20 2.28 0.00