============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. TYR 3 0.840 13.279 27.584 114.326 -99.200 -91.000 PHE 6 1.000 13.266 18.107 123.005 -99.200 -91.000 TRP 15 1.040 11.195 21.213 126.713 -99.200 -91.000 TRP6 15 1.020 9.347 21.621 125.307 -99.200 -91.000 TYR 20 0.840 -0.801 18.080 131.717 -99.200 -91.000 TYR 23 0.840 0.292 22.594 128.921 -99.200 -91.000 TYR 36 0.840 -7.588 16.546 117.684 -99.200 -91.000 PHE 57 1.000 -18.808 22.282 112.090 -99.200 -91.000 PHE 72 1.000 -4.016 24.536 121.041 -99.200 -91.000 PHE 84 1.000 11.035 16.390 113.385 -99.200 -91.000 TYR 91 0.840 0.065 18.499 103.470 -99.200 -91.000 PHE 96 1.000 -0.564 16.547 93.575 -99.200 -91.000 PHE 112 1.000 9.929 16.622 94.163 -99.200 -91.000 PHE 119 1.000 0.376 22.316 97.981 -99.200 -91.000 TYR 127 0.840 -10.148 26.814 106.278 -99.200 -91.000 TYR 129 0.840 -8.434 21.874 116.649 -99.200 -91.000 PHE 140 1.000 0.214 8.316 112.690 -99.200 -91.000 PHE 149 1.000 4.323 21.664 110.059 -99.200 -91.000 TYR 159 0.840 4.235 15.975 126.257 -99.200 -91.000 PHE 166 1.000 -8.090 5.714 124.328 -99.200 -91.000 HIS 177 0.900 -7.836 30.977 110.519 -99.200 -91.000 TYR 180 0.840 1.525 24.322 106.751 -99.200 -91.000 HIS 181 0.900 6.896 30.888 102.609 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2c8fG1 ASN 44 HA -0.04 -0.06 0.14 -0.75 4.76 4.05 2c8fG1 ASN 44 HB2 -0.06 -0.00 0.06 -0.04 2.88 2.83 2c8fG1 ASN 44 HB3 -0.16 0.03 -0.01 -0.04 2.79 2.61 2c8fG1 ASN 44 HD21 -0.06 0.01 0.05 -0.04 7.03 7.00 2c8fG1 ASN 44 HD22 -0.05 0.03 0.06 -0.04 7.74 7.74 2c8fG1 THR 45 H -0.15 0.08 0.11 -0.55 8.28 7.77 2c8fG1 THR 45 HA 0.01 0.22 0.74 -0.75 4.39 4.61 2c8fG1 THR 45 HB -0.02 -0.01 0.03 -0.04 4.32 4.28 2c8fG1 THR 45 HG23 -0.03 0.01 -0.09 -0.04 1.22 1.07 2c8fG1 TYR 46 H 0.11 0.20 0.10 -0.55 8.29 8.16 2c8fG1 TYR 46 HA -0.05 0.18 0.72 -0.75 4.56 4.66 2c8fG1 TYR 46 HB2 -0.05 -0.01 -0.06 -0.04 3.06 2.89 2c8fG1 TYR 46 HB3 -0.06 -0.00 -0.38 -0.04 2.98 2.50 2c8fG1 TYR 46 HD2 -0.03 -0.01 -0.16 -0.04 7.15 6.92 2c8fG1 TYR 46 HE2 -0.00 0.06 -0.29 -0.04 6.85 6.57 2c8fG1 GLN 47 H -0.06 0.59 0.01 -0.55 8.47 8.46 2c8fG1 GLN 47 HA -0.21 0.02 0.51 -0.75 4.36 3.93 2c8fG1 GLN 47 HB2 -0.22 0.05 0.15 -0.04 2.15 2.08 2c8fG1 GLN 47 HB3 -0.26 0.04 0.32 -0.04 2.02 2.09 2c8fG1 GLN 47 HG2 -0.69 0.00 -0.02 -0.04 2.40 1.65 2c8fG1 GLN 47 HG3 -1.06 -0.06 -0.21 -0.04 2.39 1.02 2c8fG1 GLN 47 HE21 -0.53 -0.01 -0.05 -0.04 6.97 6.34 2c8fG1 GLN 47 HE22 -1.25 -0.11 -0.52 -0.04 7.69 5.78 2c8fG1 GLU 48 H -0.16 0.24 0.31 -0.55 8.60 8.45 2c8fG1 GLU 48 HA -0.01 0.24 1.00 -0.75 4.29 4.77 2c8fG1 GLU 48 HB2 0.03 0.03 -0.02 -0.04 2.09 2.09 2c8fG1 GLU 48 HB3 0.00 -0.03 0.09 -0.04 1.99 2.02 2c8fG1 GLU 48 HG2 0.16 0.02 -0.20 -0.04 2.34 2.28 2c8fG1 GLU 48 HG3 0.37 0.07 0.03 -0.04 2.34 2.76 2c8fG1 PHE 49 H 0.22 0.37 0.18 -0.55 8.34 8.56 2c8fG1 PHE 49 HA -0.05 0.04 0.55 -0.75 4.62 4.41 2c8fG1 PHE 49 HB2 -0.01 0.20 0.10 -0.04 3.15 3.39 2c8fG1 PHE 49 HB3 -0.03 -0.05 -0.11 -0.04 3.06 2.82 2c8fG1 PHE 49 HD2 -0.12 0.02 -0.03 -0.04 7.28 7.11 2c8fG1 PHE 49 HE2 -0.56 0.04 -0.11 -0.04 7.38 6.71 2c8fG1 PHE 49 HZ -1.28 0.03 -0.04 -0.04 7.32 5.99 2c8fG1 THR 50 H 0.06 0.14 0.22 -0.55 8.28 8.15 2c8fG1 THR 50 HA 0.03 0.19 0.64 -0.75 4.39 4.50 2c8fG1 THR 50 HB 0.02 -0.02 0.01 -0.04 4.32 4.29 2c8fG1 THR 50 HG23 0.00 0.02 0.00 -0.04 1.22 1.20 2c8fG1 ASN 51 H 0.13 0.06 0.00 -0.55 8.53 8.18 2c8fG1 ASN 51 HA 0.03 0.24 0.88 -0.75 4.76 5.16 2c8fG1 ASN 51 HB2 0.04 0.13 -0.02 -0.04 2.88 3.00 2c8fG1 ASN 51 HB3 0.09 -0.00 0.10 -0.04 2.79 2.93 2c8fG1 ASN 51 HD21 0.02 0.00 0.04 -0.04 7.03 7.05 2c8fG1 ASN 51 HD22 0.02 0.07 0.14 -0.04 7.74 7.93 2c8fG1 ILE 52 H 0.02 0.24 0.14 -0.55 8.25 8.09 2c8fG1 ILE 52 HA -0.01 0.12 0.29 -0.75 4.18 3.83 2c8fG1 ILE 52 HB 0.00 -0.03 0.16 -0.04 1.89 1.99 2c8fG1 ILE 52 HG12 -0.00 0.02 -0.00 -0.04 1.49 1.47 2c8fG1 ILE 52 HG13 -0.00 0.03 0.08 -0.04 1.21 1.28 2c8fG1 ILE 52 HG23 0.00 0.01 -0.16 -0.04 0.93 0.74 2c8fG1 ILE 52 HD13 -0.01 0.02 0.01 -0.04 0.88 0.86 2c8fG1 ASP 53 H 0.01 0.12 -0.07 -0.55 8.40 7.91 2c8fG1 ASP 53 HA 0.00 0.11 0.30 -0.75 4.63 4.29 2c8fG1 ASP 53 HB2 0.02 -0.00 0.05 -0.04 2.71 2.74 2c8fG1 ASP 53 HB3 0.01 0.08 0.01 -0.04 2.70 2.76 2c8fG1 GLN 54 H 0.04 0.04 -0.15 -0.55 8.47 7.86 2c8fG1 GLN 54 HA 0.08 0.10 0.49 -0.75 4.36 4.28 2c8fG1 GLN 54 HB2 0.10 -0.07 0.08 -0.04 2.15 2.22 2c8fG1 GLN 54 HB3 0.21 0.08 0.01 -0.04 2.02 2.27 2c8fG1 GLN 54 HG2 0.27 0.05 -0.03 -0.04 2.40 2.65 2c8fG1 GLN 54 HG3 0.12 0.03 0.05 -0.04 2.39 2.54 2c8fG1 GLN 54 HE21 0.04 0.03 0.02 -0.04 6.97 7.01 2c8fG1 GLN 54 HE22 0.06 0.02 0.01 -0.04 7.69 7.74 2c8fG1 ALA 55 H -0.09 0.36 -0.37 -0.55 8.40 7.75 2c8fG1 ALA 55 HA -1.12 0.07 0.45 -0.75 4.34 2.98 2c8fG1 ALA 55 HB3 -0.41 0.05 0.07 -0.04 1.41 1.08 2c8fG1 LYS 56 H -0.07 0.43 0.01 -0.55 8.42 8.23 2c8fG1 LYS 56 HA -0.01 -0.02 0.30 -0.75 4.32 3.83 2c8fG1 LYS 56 HB2 0.00 0.03 0.17 -0.04 1.87 2.03 2c8fG1 LYS 56 HB3 0.01 0.07 0.05 -0.04 1.79 1.88 2c8fG1 LYS 56 HG2 0.07 0.02 0.02 -0.04 1.46 1.52 2c8fG1 LYS 56 HG3 0.09 -0.06 0.07 -0.04 1.46 1.52 2c8fG1 LYS 56 HD2 0.02 0.00 -0.01 -0.04 1.69 1.66 2c8fG1 LYS 56 HD3 0.03 0.03 -0.01 -0.04 1.68 1.69 2c8fG1 LYS 56 HE2 0.04 -0.04 0.00 -0.04 2.99 2.94 2c8fG1 LYS 56 HE3 0.01 -0.01 -0.09 -0.04 2.99 2.87 2c8fG1 ALA 57 H -0.01 0.50 -0.22 -0.55 8.40 8.13 2c8fG1 ALA 57 HA -0.01 0.05 0.47 -0.75 4.34 4.09 2c8fG1 ALA 57 HB3 0.03 0.02 0.07 -0.04 1.41 1.48 2c8fG1 TRP 58 H 0.11 0.43 -0.12 -0.55 7.97 7.85 2c8fG1 TRP 58 HA -0.04 0.02 0.41 -0.75 4.62 4.25 2c8fG1 TRP 58 HB2 0.05 0.04 0.15 -0.04 3.23 3.43 2c8fG1 TRP 58 HB3 -0.29 0.07 0.18 -0.04 3.23 3.16 2c8fG1 TRP 58 HD1 0.13 -0.02 0.02 -0.04 7.22 7.31 2c8fG1 TRP 58 HE1 0.10 0.01 -0.02 -0.04 10.20 10.25 2c8fG1 TRP 58 HE3 -0.23 0.01 -0.23 -0.04 7.59 7.10 2c8fG1 TRP 58 HZ2 0.10 -0.01 -0.02 -0.04 7.44 7.47 2c8fG1 TRP 58 HZ3 0.04 -0.02 -0.10 -0.04 7.13 7.01 2c8fG1 TRP 58 HH2 0.12 0.03 -0.04 -0.04 7.19 7.27 2c8fG1 GLY 59 H -0.15 0.56 -0.18 -0.55 8.43 8.11 2c8fG1 GLY 59 HA2 -0.53 0.05 0.49 -0.51 4.01 3.51 2c8fG1 GLY 59 HA3 -1.54 0.01 0.28 -0.51 4.01 2.25 2c8fG1 ASN 60 H -0.18 0.54 0.02 -0.55 8.53 8.37 2c8fG1 ASN 60 HA 0.10 -0.03 0.42 -0.75 4.76 4.49 2c8fG1 ASN 60 HB2 -0.03 0.09 0.22 -0.04 2.88 3.12 2c8fG1 ASN 60 HB3 0.00 -0.03 0.03 -0.04 2.79 2.75 2c8fG1 ASN 60 HD21 0.04 -0.07 -0.02 -0.04 7.03 6.94 2c8fG1 ASN 60 HD22 0.01 -0.04 -0.03 -0.04 7.74 7.64 2c8fG1 ALA 61 H -0.20 0.48 -0.41 -0.55 8.40 7.73 2c8fG1 ALA 61 HA -0.12 0.01 0.45 -0.75 4.34 3.92 2c8fG1 ALA 61 HB3 -0.20 0.02 0.11 -0.04 1.41 1.30 2c8fG1 GLN 62 H -0.47 0.44 -0.01 -0.55 8.47 7.89 2c8fG1 GLN 62 HA -0.32 0.04 0.48 -0.75 4.36 3.80 2c8fG1 GLN 62 HB2 -0.33 0.09 0.26 -0.04 2.15 2.12 2c8fG1 GLN 62 HB3 -0.18 0.01 0.13 -0.04 2.02 1.95 2c8fG1 GLN 62 HG2 -1.52 0.22 0.16 -0.04 2.40 1.23 2c8fG1 GLN 62 HG3 -0.95 -0.04 0.09 -0.04 2.39 1.45 2c8fG1 GLN 62 HE21 -0.56 -0.06 0.01 -0.04 6.97 6.32 2c8fG1 GLN 62 HE22 -1.65 0.14 0.11 -0.04 7.69 6.25 2c8fG1 TYR 63 H -0.17 0.40 -0.23 -0.55 8.29 7.74 2c8fG1 TYR 63 HA -1.42 0.03 0.34 -0.75 4.56 2.75 2c8fG1 TYR 63 HB2 -0.04 0.00 0.06 -0.04 3.06 3.04 2c8fG1 TYR 63 HB3 -0.13 0.08 0.09 -0.04 2.98 2.98 2c8fG1 TYR 63 HD2 -0.00 0.08 -0.09 -0.04 7.15 7.10 2c8fG1 TYR 63 HE2 0.05 -0.01 -0.06 -0.04 6.85 6.79 2c8fG1 LYS 64 H -0.16 0.45 -0.20 -0.55 8.42 7.96 2c8fG1 LYS 64 HA -0.11 -0.05 0.41 -0.75 4.32 3.81 2c8fG1 LYS 64 HB2 -0.09 0.11 0.23 -0.04 1.87 2.08 2c8fG1 LYS 64 HB3 -0.12 0.08 0.04 -0.04 1.79 1.75 2c8fG1 LYS 64 HG2 -0.06 -0.03 0.03 -0.04 1.46 1.36 2c8fG1 LYS 64 HG3 -0.06 -0.04 0.12 -0.04 1.46 1.44 2c8fG1 LYS 64 HD2 -0.01 0.01 0.06 -0.04 1.69 1.71 2c8fG1 LYS 64 HD3 -0.03 -0.01 0.03 -0.04 1.68 1.63 2c8fG1 LYS 64 HE2 -0.01 -0.04 0.01 -0.04 2.99 2.92 2c8fG1 LYS 64 HE3 -0.02 -0.02 0.02 -0.04 2.99 2.93 2c8fG1 LYS 65 H -0.33 0.36 -0.50 -0.55 8.42 7.40 2c8fG1 LYS 65 HA -0.13 0.16 0.92 -0.75 4.32 4.52 2c8fG1 LYS 65 HB2 -0.05 0.00 0.19 -0.04 1.87 1.97 2c8fG1 LYS 65 HB3 -0.08 -0.06 0.00 -0.04 1.79 1.61 2c8fG1 LYS 65 HG2 -0.13 -0.01 0.02 -0.04 1.46 1.30 2c8fG1 LYS 65 HG3 -0.17 0.28 0.10 -0.04 1.46 1.63 2c8fG1 LYS 65 HD2 -0.03 0.04 0.04 -0.04 1.69 1.71 2c8fG1 LYS 65 HD3 -0.05 -0.07 0.03 -0.04 1.68 1.55 2c8fG1 LYS 65 HE2 -0.12 0.02 -0.01 -0.04 2.99 2.84 2c8fG1 LYS 65 HE3 -0.08 0.01 0.03 -0.04 2.99 2.92 2c8fG1 TYR 66 H -0.41 0.36 -0.03 -0.55 8.29 7.67 2c8fG1 TYR 66 HA -0.12 0.27 0.67 -0.75 4.56 4.63 2c8fG1 TYR 66 HB2 -0.42 -0.08 0.16 -0.04 3.06 2.67 2c8fG1 TYR 66 HB3 -0.16 -0.09 -0.04 -0.04 2.98 2.65 2c8fG1 TYR 66 HD2 -0.06 0.04 0.00 -0.04 7.15 7.09 2c8fG1 TYR 66 HE2 0.11 0.07 0.05 -0.04 6.85 7.03 2c8fG1 GLY 67 H -0.18 0.14 0.00 -0.55 8.43 7.84 2c8fG1 GLY 67 HA2 -0.07 0.00 0.29 -0.51 4.01 3.72 2c8fG1 GLY 67 HA3 -0.04 0.08 0.42 -0.51 4.01 3.96 2c8fG1 LEU 68 H -0.05 0.01 -0.11 -0.55 8.37 7.68 2c8fG1 LEU 68 HA -0.02 0.12 0.32 -0.75 4.35 4.01 2c8fG1 LEU 68 HB2 0.03 -0.01 -0.07 -0.04 1.64 1.56 2c8fG1 LEU 68 HB3 -0.01 -0.12 0.04 -0.04 1.64 1.51 2c8fG1 LEU 68 HG 0.03 -0.03 -0.06 -0.04 1.64 1.54 2c8fG1 LEU 68 HD13 0.12 -0.00 -0.09 -0.04 0.93 0.92 2c8fG1 LEU 68 HD23 -0.14 0.02 -0.05 -0.04 0.89 0.68 2c8fG1 SER 69 H -0.01 0.04 0.17 -0.55 8.46 8.11 2c8fG1 SER 69 HA -0.00 0.22 0.55 -0.75 4.49 4.51 2c8fG1 SER 69 HB2 -0.00 0.07 0.15 -0.04 3.95 4.13 2c8fG1 SER 69 HB3 -0.01 0.15 0.15 -0.04 3.93 4.18 2c8fG1 LYS 70 H 0.01 0.21 0.17 -0.55 8.42 8.25 2c8fG1 LYS 70 HA 0.02 0.15 0.42 -0.75 4.32 4.15 2c8fG1 LYS 70 HB2 0.01 0.00 0.18 -0.04 1.87 2.02 2c8fG1 LYS 70 HB3 0.01 0.02 -0.00 -0.04 1.79 1.78 2c8fG1 LYS 70 HG2 0.01 0.03 0.04 -0.04 1.46 1.50 2c8fG1 LYS 70 HG3 0.01 0.01 0.06 -0.04 1.46 1.50 2c8fG1 LYS 70 HD2 0.02 0.04 -0.02 -0.04 1.69 1.69 2c8fG1 LYS 70 HD3 0.01 -0.03 0.03 -0.04 1.68 1.65 2c8fG1 LYS 70 HE2 0.01 0.05 0.00 -0.04 2.99 3.01 2c8fG1 LYS 70 HE3 0.01 -0.00 0.02 -0.04 2.99 2.97 2c8fG1 SER 71 H 0.01 0.09 -0.13 -0.55 8.46 7.88 2c8fG1 SER 71 HA 0.01 0.11 0.46 -0.75 4.49 4.32 2c8fG1 SER 71 HB2 0.01 0.02 0.04 -0.04 3.95 3.98 2c8fG1 SER 71 HB3 0.01 0.05 0.03 -0.04 3.93 3.99 2c8fG1 GLU 72 H -0.00 0.08 -0.19 -0.55 8.60 7.94 2c8fG1 GLU 72 HA -0.01 0.07 0.30 -0.75 4.29 3.89 2c8fG1 GLU 72 HB2 -0.02 -0.01 0.12 -0.04 2.09 2.14 2c8fG1 GLU 72 HB3 -0.05 0.08 -0.01 -0.04 1.99 1.97 2c8fG1 GLU 72 HG2 -0.03 0.24 0.08 -0.04 2.34 2.59 2c8fG1 GLU 72 HG3 -0.01 -0.13 0.06 -0.04 2.34 2.22 2c8fG1 LYS 73 H 0.01 0.43 -0.31 -0.55 8.42 8.01 2c8fG1 LYS 73 HA 0.02 0.05 0.38 -0.75 4.32 4.01 2c8fG1 LYS 73 HB2 0.03 0.07 0.10 -0.04 1.87 2.02 2c8fG1 LYS 73 HB3 0.03 0.03 -0.00 -0.04 1.79 1.81 2c8fG1 LYS 73 HG2 0.10 -0.03 -0.05 -0.04 1.46 1.45 2c8fG1 LYS 73 HG3 0.05 0.06 -0.15 -0.04 1.46 1.38 2c8fG1 LYS 73 HD2 0.06 0.00 -0.04 -0.04 1.69 1.67 2c8fG1 LYS 73 HD3 0.15 0.02 -0.06 -0.04 1.68 1.74 2c8fG1 LYS 73 HE2 0.05 0.11 -0.27 -0.04 2.99 2.84 2c8fG1 LYS 73 HE3 0.03 -0.09 -0.26 -0.04 2.99 2.63 2c8fG1 GLU 74 H 0.02 0.42 -0.23 -0.55 8.60 8.26 2c8fG1 GLU 74 HA 0.03 0.01 0.35 -0.75 4.29 3.93 2c8fG1 GLU 74 HB2 0.02 0.09 0.25 -0.04 2.09 2.41 2c8fG1 GLU 74 HB3 0.02 -0.07 0.03 -0.04 1.99 1.93 2c8fG1 GLU 74 HG2 0.02 -0.05 0.04 -0.04 2.34 2.31 2c8fG1 GLU 74 HG3 0.02 0.00 0.05 -0.04 2.34 2.37 2c8fG1 ALA 75 H 0.01 0.72 -0.06 -0.55 8.40 8.53 2c8fG1 ALA 75 HA 0.03 -0.06 0.44 -0.75 4.34 4.00 2c8fG1 ALA 75 HB3 0.00 0.04 0.02 -0.04 1.41 1.43 2c8fG1 ILE 76 H -0.01 0.61 -0.24 -0.55 8.25 8.06 2c8fG1 ILE 76 HA -0.02 -0.02 0.44 -0.75 4.18 3.83 2c8fG1 ILE 76 HB -0.01 0.11 0.14 -0.04 1.89 2.09 2c8fG1 ILE 76 HG12 -0.16 -0.05 -0.04 -0.04 1.49 1.20 2c8fG1 ILE 76 HG13 -0.12 -0.02 -0.03 -0.04 1.21 1.00 2c8fG1 ILE 76 HG23 -0.01 -0.02 -0.17 -0.04 0.93 0.68 2c8fG1 ILE 76 HD13 -0.11 0.01 -0.12 -0.04 0.88 0.62 2c8fG1 VAL 77 H 0.03 0.64 -0.15 -0.55 8.24 8.21 2c8fG1 VAL 77 HA 0.08 -0.04 0.32 -0.75 4.13 3.74 2c8fG1 VAL 77 HB 0.05 0.27 0.25 -0.04 2.12 2.64 2c8fG1 VAL 77 HG13 0.12 -0.04 -0.12 -0.04 0.97 0.89 2c8fG1 VAL 77 HG23 0.03 0.09 0.02 -0.04 0.95 1.05 2c8fG1 SER 78 H 0.05 0.61 -0.05 -0.55 8.46 8.52 2c8fG1 SER 78 HA 0.02 -0.02 0.34 -0.75 4.49 4.08 2c8fG1 SER 78 HB2 0.05 0.08 0.04 -0.04 3.95 4.08 2c8fG1 SER 78 HB3 0.02 -0.08 0.01 -0.04 3.93 3.84 2c8fG1 TYR 79 H 0.13 0.57 -0.23 -0.55 8.29 8.22 2c8fG1 TYR 79 HA -0.02 -0.09 0.33 -0.75 4.56 4.02 2c8fG1 TYR 79 HB2 -0.10 0.01 0.06 -0.04 3.06 2.99 2c8fG1 TYR 79 HB3 -0.07 0.21 0.09 -0.04 2.98 3.18 2c8fG1 TYR 79 HD2 -0.07 0.03 -0.17 -0.04 7.15 6.91 2c8fG1 TYR 79 HE2 0.07 -0.02 -0.06 -0.04 6.85 6.80 2c8fG1 THR 80 H 0.12 0.57 -0.24 -0.55 8.28 8.18 2c8fG1 THR 80 HA 0.01 -0.01 0.44 -0.75 4.39 4.07 2c8fG1 THR 80 HB 0.13 -0.01 -0.25 -0.04 4.32 4.15 2c8fG1 THR 80 HG23 0.12 0.03 -0.05 -0.04 1.22 1.28 2c8fG1 LYS 81 H -0.02 0.36 -0.30 -0.55 8.42 7.91 2c8fG1 LYS 81 HA -0.14 0.11 0.75 -0.75 4.32 4.28 2c8fG1 LYS 81 HB2 -0.07 0.08 0.15 -0.04 1.87 1.98 2c8fG1 LYS 81 HB3 -0.15 -0.07 0.05 -0.04 1.79 1.57 2c8fG1 LYS 81 HG2 -0.35 -0.02 -0.06 -0.04 1.46 0.99 2c8fG1 LYS 81 HG3 -0.01 0.11 -0.08 -0.04 1.46 1.44 2c8fG1 LYS 81 HD2 -0.19 -0.01 -0.01 -0.04 1.69 1.44 2c8fG1 LYS 81 HD3 -0.30 -0.03 -0.03 -0.04 1.68 1.28 2c8fG1 LYS 81 HE2 0.05 -0.01 -0.09 -0.04 2.99 2.90 2c8fG1 LYS 81 HE3 -0.01 0.00 -0.05 -0.04 2.99 2.88 2c8fG1 SER 82 H -0.13 0.51 0.04 -0.55 8.46 8.34 2c8fG1 SER 82 HA -0.09 0.18 0.79 -0.75 4.49 4.61 2c8fG1 SER 82 HB2 -0.05 -0.08 0.12 -0.04 3.95 3.89 2c8fG1 SER 82 HB3 -0.06 0.03 -0.11 -0.04 3.93 3.75 2c8fG1 ALA 83 H -0.26 0.35 -0.12 -0.55 8.40 7.83 2c8fG1 ALA 83 HA -0.55 0.03 0.29 -0.75 4.34 3.35 2c8fG1 ALA 83 HB3 -0.54 0.09 0.08 -0.04 1.41 1.01 2c8fG1 SER 84 H -0.10 0.20 -0.01 -0.55 8.46 8.01 2c8fG1 SER 84 HA -0.00 0.06 0.54 -0.75 4.49 4.33 2c8fG1 SER 84 HB2 -0.00 0.02 0.10 -0.04 3.95 4.03 2c8fG1 SER 84 HB3 -0.03 0.05 0.11 -0.04 3.93 4.02 2c8fG1 GLU 85 H -0.05 0.22 -0.29 -0.55 8.60 7.93 2c8fG1 GLU 85 HA -0.03 0.08 0.56 -0.75 4.29 4.14 2c8fG1 ILE 86 H -0.01 0.36 -0.15 -0.55 8.25 7.90 2c8fG1 ILE 86 HA 0.02 0.07 0.44 -0.75 4.18 3.96 2c8fG1 ILE 86 HB 0.07 0.09 0.07 -0.04 1.89 2.07 2c8fG1 ILE 86 HG12 0.24 -0.01 -0.02 -0.04 1.49 1.66 2c8fG1 ILE 86 HG13 0.10 -0.02 0.03 -0.04 1.21 1.28 2c8fG1 ILE 86 HG23 0.36 0.05 -0.06 -0.04 0.93 1.24 2c8fG1 ILE 86 HD13 0.20 -0.00 -0.05 -0.04 0.88 0.98 2c8fG1 ASN 87 H 0.10 0.53 0.07 -0.55 8.53 8.69 2c8fG1 ASN 87 HA 0.18 0.04 0.48 -0.75 4.76 4.70 2c8fG1 ASN 87 HB2 0.11 0.03 0.18 -0.04 2.88 3.16 2c8fG1 ASN 87 HB3 0.14 -0.02 0.06 -0.04 2.79 2.93 2c8fG1 ASN 87 HD21 0.39 -0.00 -0.01 -0.04 7.03 7.37 2c8fG1 ASN 87 HD22 0.15 -0.03 -0.02 -0.04 7.74 7.80 2c8fG1 GLY 88 H 0.05 0.46 -0.10 -0.55 8.43 8.28 2c8fG1 GLY 88 HA2 0.05 0.00 0.35 -0.51 4.01 3.90 2c8fG1 GLY 88 HA3 0.02 0.15 0.32 -0.51 4.01 4.00 2c8fG1 LYS 89 H -0.01 0.25 -0.61 -0.55 8.42 7.50 2c8fG1 LYS 89 HA -0.05 0.05 0.57 -0.75 4.32 4.13 2c8fG1 LYS 89 HB2 -0.14 0.17 0.13 -0.04 1.87 1.98 2c8fG1 LYS 89 HB3 -0.45 0.00 -0.04 -0.04 1.79 1.25 2c8fG1 LYS 89 HG2 -0.17 -0.05 0.02 -0.04 1.46 1.23 2c8fG1 LYS 89 HG3 -0.11 0.10 0.06 -0.04 1.46 1.47 2c8fG1 LYS 89 HD2 -0.21 -0.05 0.01 -0.04 1.69 1.41 2c8fG1 LYS 89 HD3 -0.19 0.04 0.01 -0.04 1.68 1.50 2c8fG1 LYS 89 HE2 -0.57 -0.04 0.00 -0.04 2.99 2.33 2c8fG1 LYS 89 HE3 -0.67 -0.00 -0.01 -0.04 2.99 2.27 2c8fG1 LEU 90 H 0.10 0.45 -0.03 -0.55 8.37 8.33 2c8fG1 LEU 90 HA 0.24 -0.00 0.48 -0.75 4.35 4.31 2c8fG1 LEU 90 HB2 0.15 0.04 0.11 -0.04 1.64 1.90 2c8fG1 LEU 90 HB3 0.16 0.04 -0.16 -0.04 1.64 1.65 2c8fG1 LEU 90 HG 0.25 0.06 0.05 -0.04 1.64 1.96 2c8fG1 LEU 90 HD13 0.19 -0.01 -0.06 -0.04 0.93 1.01 2c8fG1 LEU 90 HD23 0.17 0.00 -0.01 -0.04 0.89 1.00 2c8fG1 ARG 91 H 0.10 0.56 -0.27 -0.55 8.46 8.30 2c8fG1 ARG 91 HA 0.14 0.01 0.50 -0.75 4.34 4.24 2c8fG1 ARG 91 HB2 0.08 0.17 0.08 -0.04 1.90 2.19 2c8fG1 ARG 91 HB3 0.10 0.01 0.02 -0.04 1.80 1.89 2c8fG1 ARG 91 HG2 0.19 -0.16 0.03 -0.04 1.67 1.69 2c8fG1 ARG 91 HG3 0.13 0.16 -0.03 -0.04 1.67 1.88 2c8fG1 ARG 91 HD2 0.08 0.03 -0.03 -0.04 3.22 3.26 2c8fG1 ARG 91 HD3 0.10 0.04 0.00 -0.04 3.22 3.32 2c8fG1 GLN 92 H 0.03 0.31 -0.11 -0.55 8.47 8.15 2c8fG1 GLN 92 HA 0.01 0.05 0.48 -0.75 4.36 4.14 2c8fG1 GLN 92 HB2 0.01 0.05 0.21 -0.04 2.15 2.38 2c8fG1 GLN 92 HB3 0.01 -0.02 0.03 -0.04 2.02 2.00 2c8fG1 GLN 92 HG2 0.01 0.19 0.11 -0.04 2.40 2.67 2c8fG1 GLN 92 HG3 0.00 -0.05 0.04 -0.04 2.39 2.34 2c8fG1 GLN 92 HE21 0.03 -0.03 -0.01 -0.04 6.97 6.91 2c8fG1 GLN 92 HE22 0.03 0.03 -0.01 -0.04 7.69 7.70 2c8fG1 ASN 93 H 0.06 0.42 -0.09 -0.55 8.53 8.36 2c8fG1 ASN 93 HA -0.01 0.17 0.70 -0.75 4.76 4.87 2c8fG1 ASN 93 HB2 0.21 0.03 0.08 -0.04 2.88 3.15 2c8fG1 ASN 93 HB3 0.05 -0.02 0.18 -0.04 2.79 2.95 2c8fG1 ASN 93 HD21 0.12 -0.08 -0.00 -0.04 7.03 7.03 2c8fG1 ASN 93 HD22 0.24 0.36 0.10 -0.04 7.74 8.40 2c8fG1 LYS 94 H -0.22 0.18 -0.69 -0.55 8.42 7.13 2c8fG1 LYS 94 HA -1.40 0.02 0.36 -0.75 4.32 2.55 2c8fG1 LYS 94 HB2 -0.36 0.03 0.20 -0.04 1.87 1.71 2c8fG1 LYS 94 HB3 -1.11 -0.05 0.13 -0.04 1.79 0.71 2c8fG1 LYS 94 HG2 -0.18 -0.00 -0.42 -0.04 1.46 0.81 2c8fG1 LYS 94 HG3 -0.14 -0.05 -0.06 -0.04 1.46 1.17 2c8fG1 LYS 94 HD2 -0.10 -0.08 0.03 -0.04 1.69 1.51 2c8fG1 LYS 94 HD3 -0.20 0.31 0.03 -0.04 1.68 1.78 2c8fG1 LYS 94 HE2 0.02 -0.06 0.03 -0.04 2.99 2.94 2c8fG1 LYS 94 HE3 -0.03 0.10 0.04 -0.04 2.99 3.06 2c8fG1 GLY 95 H -0.10 0.52 0.02 -0.55 8.43 8.32 2c8fG1 GLY 95 HA2 0.07 -0.06 0.27 -0.51 4.01 3.78 2c8fG1 GLY 95 HA3 0.12 0.06 0.29 -0.51 4.01 3.97 2c8fG1 VAL 96 H -0.10 0.34 -0.48 -0.55 8.24 7.45 2c8fG1 VAL 96 HA -0.14 0.08 0.78 -0.75 4.13 4.10 2c8fG1 VAL 96 HB -0.10 0.16 0.14 -0.04 2.12 2.28 2c8fG1 VAL 96 HG13 -0.10 -0.06 -0.06 -0.04 0.97 0.71 2c8fG1 VAL 96 HG23 -0.07 0.05 -0.03 -0.04 0.95 0.86 2c8fG1 ILE 97 H -0.28 0.16 0.14 -0.55 8.25 7.72 2c8fG1 ILE 97 HA -1.98 0.18 0.34 -0.75 4.18 1.96 2c8fG1 ILE 97 HB -0.25 0.03 0.01 -0.04 1.89 1.63 2c8fG1 ILE 97 HG12 -0.14 -0.02 -0.27 -0.04 1.49 1.02 2c8fG1 ILE 97 HG13 -0.21 0.10 -0.43 -0.04 1.21 0.63 2c8fG1 ILE 97 HG23 -0.15 -0.01 -0.02 -0.04 0.93 0.71 2c8fG1 ILE 97 HD13 -0.00 0.00 -0.06 -0.04 0.88 0.78 2c8fG1 ASN 98 H -0.26 0.12 -0.04 -0.55 8.53 7.81 2c8fG1 ASN 98 HA -0.12 0.08 0.14 -0.75 4.76 4.11 2c8fG1 ASN 98 HB2 -0.08 0.03 -0.01 -0.04 2.88 2.78 2c8fG1 ASN 98 HB3 -0.05 0.04 0.05 -0.04 2.79 2.78 2c8fG1 ASN 98 HD21 -0.07 0.05 0.03 -0.04 7.03 6.99 2c8fG1 ASN 98 HD22 -0.08 0.03 0.01 -0.04 7.74 7.66 2c8fG1 GLY 99 H -0.13 0.09 -0.31 -0.55 8.43 7.54 2c8fG1 GLY 99 HA2 0.04 0.15 0.64 -0.51 4.01 4.33 2c8fG1 GLY 99 HA3 0.07 -0.01 0.27 -0.51 4.01 3.83 2c8fG1 PHE 100 H 0.08 0.35 -0.39 -0.55 8.34 7.83 2c8fG1 PHE 100 HA 0.01 0.10 0.46 -0.75 4.62 4.43 2c8fG1 PHE 100 HB2 0.02 0.10 0.00 -0.04 3.15 3.23 2c8fG1 PHE 100 HB3 0.02 -0.05 -0.01 -0.04 3.06 2.98 2c8fG1 PHE 100 HD2 0.02 -0.05 -0.26 -0.04 7.28 6.95 2c8fG1 PHE 100 HE2 0.02 -0.00 -0.10 -0.04 7.38 7.25 2c8fG1 PHE 100 HZ 0.00 0.02 -0.22 -0.04 7.32 7.08 2c8fG1 PRO 101 HA 0.06 0.09 0.58 -0.51 4.44 4.67 2c8fG1 PRO 101 HB2 0.04 -0.15 0.08 -0.04 2.28 2.21 2c8fG1 PRO 101 HB3 0.03 0.05 0.12 -0.04 2.02 2.17 2c8fG1 PRO 101 HG2 -0.02 0.04 0.09 -0.04 2.03 2.09 2c8fG1 PRO 101 HG3 0.01 0.10 0.10 -0.04 2.03 2.20 2c8fG1 PRO 101 HD2 -0.02 0.07 0.21 -0.04 3.68 3.91 2c8fG1 PRO 101 HD3 0.04 0.26 0.18 -0.04 3.65 4.10 2c8fG1 SER 102 H 0.05 0.18 0.17 -0.55 8.46 8.30 2c8fG1 SER 102 HA 0.06 0.17 0.09 -0.75 4.49 4.06 2c8fG1 SER 102 HB2 0.03 -0.02 0.13 -0.04 3.95 4.05 2c8fG1 SER 102 HB3 0.03 0.02 0.01 -0.04 3.93 3.95 2c8fG1 ASN 103 H 0.04 0.08 -0.21 -0.55 8.53 7.89 2c8fG1 ASN 103 HA 0.04 0.13 0.57 -0.75 4.76 4.74 2c8fG1 ASN 103 HB2 0.03 0.05 -0.00 -0.04 2.88 2.91 2c8fG1 ASN 103 HB3 0.03 0.05 0.07 -0.04 2.79 2.89 2c8fG1 ASN 103 HD21 0.02 0.05 -0.03 -0.04 7.03 7.03 2c8fG1 ASN 103 HD22 0.02 0.04 -0.11 -0.04 7.74 7.65 2c8fG1 LEU 104 H 0.06 0.13 -0.13 -0.55 8.37 7.88 2c8fG1 LEU 104 HA 0.08 0.02 0.47 -0.75 4.35 4.16 2c8fG1 LEU 104 HB2 0.04 -0.05 0.08 -0.04 1.64 1.67 2c8fG1 LEU 104 HB3 0.11 0.25 0.05 -0.04 1.64 2.01 2c8fG1 LEU 104 HG 0.16 -0.05 -0.01 -0.04 1.64 1.69 2c8fG1 LEU 104 HD13 0.03 -0.01 -0.00 -0.04 0.93 0.91 2c8fG1 LEU 104 HD23 -0.10 0.02 -0.04 -0.04 0.89 0.73 2c8fG1 ILE 105 H 0.11 0.27 -0.40 -0.55 8.25 7.68 2c8fG1 ILE 105 HA 0.13 0.07 0.43 -0.75 4.18 4.05 2c8fG1 ILE 105 HB 0.06 0.12 0.02 -0.04 1.89 2.05 2c8fG1 ILE 105 HG12 0.12 0.02 -0.09 -0.04 1.49 1.50 2c8fG1 ILE 105 HG13 0.12 0.09 -0.34 -0.04 1.21 1.04 2c8fG1 ILE 105 HG23 0.01 -0.01 -0.12 -0.04 0.93 0.77 2c8fG1 ILE 105 HD13 0.02 0.00 -0.08 -0.04 0.88 0.78 2c8fG1 LYS 106 H 0.06 0.32 -0.32 -0.55 8.42 7.93 2c8fG1 LYS 106 HA 0.04 0.05 0.42 -0.75 4.32 4.08 2c8fG1 GLN 107 H 0.07 0.40 -0.12 -0.55 8.47 8.27 2c8fG1 GLN 107 HA 0.05 0.01 0.42 -0.75 4.36 4.08 2c8fG1 GLN 107 HB2 0.08 0.04 0.19 -0.04 2.15 2.42 2c8fG1 GLN 107 HB3 0.10 0.03 0.04 -0.04 2.02 2.16 2c8fG1 GLN 107 HG2 0.07 0.02 -0.01 -0.04 2.40 2.43 2c8fG1 GLN 107 HG3 0.05 -0.03 0.05 -0.04 2.39 2.41 2c8fG1 GLN 107 HE21 0.03 -0.03 -0.09 -0.04 6.97 6.84 2c8fG1 GLN 107 HE22 0.05 0.02 -0.04 -0.04 7.69 7.68 2c8fG1 VAL 108 H 0.13 0.49 -0.11 -0.55 8.24 8.20 2c8fG1 VAL 108 HA 0.21 -0.00 0.25 -0.75 4.13 3.83 2c8fG1 VAL 108 HB 0.15 0.14 0.08 -0.04 2.12 2.45 2c8fG1 VAL 108 HG13 0.19 -0.01 -0.10 -0.04 0.97 1.01 2c8fG1 VAL 108 HG23 0.28 0.03 0.03 -0.04 0.95 1.26 2c8fG1 GLU 109 H 0.08 0.33 -0.44 -0.55 8.60 8.02 2c8fG1 GLU 109 HA 0.06 0.05 0.42 -0.75 4.29 4.07 2c8fG1 GLU 109 HB2 0.04 0.04 0.18 -0.04 2.09 2.31 2c8fG1 GLU 109 HB3 0.03 -0.05 0.01 -0.04 1.99 1.94 2c8fG1 GLU 109 HG2 0.03 -0.04 0.02 -0.04 2.34 2.30 2c8fG1 GLU 109 HG3 0.04 0.26 0.08 -0.04 2.34 2.68 2c8fG1 LEU 110 H 0.05 0.70 -0.02 -0.55 8.37 8.55 2c8fG1 LEU 110 HA 0.02 -0.01 0.51 -0.75 4.35 4.11 2c8fG1 LEU 110 HB2 0.03 0.25 0.21 -0.04 1.64 2.08 2c8fG1 LEU 110 HB3 0.00 -0.11 -0.12 -0.04 1.64 1.37 2c8fG1 LEU 110 HG 0.02 0.04 0.02 -0.04 1.64 1.68 2c8fG1 LEU 110 HD13 0.02 0.00 -0.16 -0.04 0.93 0.75 2c8fG1 LEU 110 HD23 0.01 -0.04 -0.11 -0.04 0.89 0.70 2c8fG1 LEU 111 H 0.05 0.54 -0.18 -0.55 8.37 8.23 2c8fG1 LEU 111 HA -0.07 0.03 0.42 -0.75 4.35 3.97 2c8fG1 LEU 111 HB2 0.07 0.09 0.08 -0.04 1.64 1.83 2c8fG1 LEU 111 HB3 -0.11 -0.02 -0.10 -0.04 1.64 1.36 2c8fG1 LEU 111 HG -0.06 0.03 -0.17 -0.04 1.64 1.40 2c8fG1 LEU 111 HD13 -0.26 -0.03 -0.17 -0.04 0.93 0.43 2c8fG1 LEU 111 HD23 -0.28 0.01 -0.14 -0.04 0.89 0.44 2c8fG1 ASP 112 H 0.14 0.47 -0.17 -0.55 8.40 8.29 2c8fG1 ASP 112 HA 0.35 0.03 0.39 -0.75 4.63 4.65 2c8fG1 ASP 112 HB2 0.11 0.09 0.19 -0.04 2.71 3.06 2c8fG1 ASP 112 HB3 0.10 0.00 0.01 -0.04 2.70 2.76 2c8fG1 LYS 113 H 0.07 0.47 -0.07 -0.55 8.42 8.34 2c8fG1 LYS 113 HA 0.05 0.06 0.49 -0.75 4.32 4.16 2c8fG1 LYS 113 HB2 0.03 0.15 0.17 -0.04 1.87 2.18 2c8fG1 LYS 113 HB3 0.01 0.01 0.09 -0.04 1.79 1.86 2c8fG1 LYS 113 HG2 0.01 -0.02 -0.02 -0.04 1.46 1.39 2c8fG1 LYS 113 HG3 0.02 0.01 0.06 -0.04 1.46 1.51 2c8fG1 LYS 113 HD2 0.01 0.00 -0.00 -0.04 1.69 1.66 2c8fG1 LYS 113 HD3 0.01 -0.05 -0.01 -0.04 1.68 1.59 2c8fG1 LYS 113 HE2 0.00 -0.05 -0.00 -0.04 2.99 2.89 2c8fG1 LYS 113 HE3 0.00 0.02 -0.01 -0.04 2.99 2.97 2c8fG1 SER 114 H -0.01 0.37 -0.45 -0.55 8.46 7.82 2c8fG1 SER 114 HA -0.09 -0.03 0.32 -0.75 4.49 3.94 2c8fG1 SER 114 HB2 -0.20 -0.11 0.04 -0.04 3.95 3.64 2c8fG1 SER 114 HB3 -0.12 0.12 0.16 -0.04 3.93 4.04 2c8fG1 PHE 115 H 0.07 0.34 -0.32 -0.55 8.34 7.87 2c8fG1 PHE 115 HA -0.10 0.01 0.44 -0.75 4.62 4.22 2c8fG1 PHE 115 HB2 -0.00 0.21 0.09 -0.04 3.15 3.40 2c8fG1 PHE 115 HB3 -0.02 -0.01 0.08 -0.04 3.06 3.08 2c8fG1 PHE 115 HD2 0.00 0.11 -0.00 -0.04 7.28 7.34 2c8fG1 PHE 115 HE2 0.02 0.03 -0.19 -0.04 7.38 7.20 2c8fG1 PHE 115 HZ -0.02 -0.10 -0.52 -0.04 7.32 6.64 2c8fG1 ASN 116 H 0.04 0.50 -0.49 -0.55 8.53 8.04 2c8fG1 ASN 116 HA 0.04 0.05 0.53 -0.75 4.76 4.62 2c8fG1 ASN 116 HB2 0.00 0.10 0.12 -0.04 2.88 3.05 2c8fG1 ASN 116 HB3 0.01 -0.06 0.03 -0.04 2.79 2.74 2c8fG1 ASN 116 HD21 0.02 -0.10 0.06 -0.04 7.03 6.97 2c8fG1 ASN 116 HD22 0.01 -0.02 0.08 -0.04 7.74 7.77 2c8fG1 LYS 117 H -0.07 0.41 -0.15 -0.55 8.42 8.05 2c8fG1 LYS 117 HA -0.02 0.15 0.70 -0.75 4.32 4.39 2c8fG1 LYS 117 HB2 -0.12 -0.05 0.04 -0.04 1.87 1.70 2c8fG1 LYS 117 HB3 -0.01 0.19 0.22 -0.04 1.79 2.14 2c8fG1 LYS 117 HG2 -0.02 -0.02 -0.16 -0.04 1.46 1.23 2c8fG1 LYS 117 HG3 -0.05 -0.03 0.01 -0.04 1.46 1.35 2c8fG1 LYS 117 HD2 -0.03 -0.17 -0.12 -0.04 1.69 1.32 2c8fG1 LYS 117 HD3 -0.02 0.38 0.01 -0.04 1.68 2.01 2c8fG1 LYS 117 HE2 -0.01 -0.04 -0.04 -0.04 2.99 2.86 2c8fG1 LYS 117 HE3 -0.02 -0.13 -0.02 -0.04 2.99 2.79 2c8fG1 MET 118 H -0.10 0.21 -0.42 -0.55 8.47 7.62 2c8fG1 MET 118 HA -0.46 0.18 0.79 -0.75 4.52 4.28 2c8fG1 MET 118 HB2 -0.28 -0.05 0.05 -0.04 2.15 1.82 2c8fG1 MET 118 HB3 -0.36 -0.04 -0.19 -0.04 2.03 1.39 2c8fG1 MET 118 HG2 -1.49 0.08 -0.24 -0.04 2.63 0.93 2c8fG1 MET 118 HG3 -0.54 0.18 -0.18 -0.04 2.56 1.98 2c8fG1 MET 118 HE3 -0.86 -0.01 -0.22 -0.04 2.10 0.97 2c8fG1 LYS 119 H 0.06 0.27 0.09 -0.55 8.42 8.28 2c8fG1 LYS 119 HA 0.10 0.17 0.85 -0.75 4.32 4.69 2c8fG1 LYS 119 HB2 0.07 -0.05 -0.14 -0.04 1.87 1.71 2c8fG1 LYS 119 HB3 0.07 0.00 -0.10 -0.04 1.79 1.73 2c8fG1 LYS 119 HG2 0.04 -0.02 -0.33 -0.04 1.46 1.11 2c8fG1 LYS 119 HG3 0.04 -0.02 -0.11 -0.04 1.46 1.32 2c8fG1 LYS 119 HD2 0.06 0.06 -0.27 -0.04 1.69 1.49 2c8fG1 LYS 119 HD3 0.07 0.10 -0.37 -0.04 1.68 1.44 2c8fG1 LYS 119 HE2 0.03 -0.05 -0.05 -0.04 2.99 2.88 2c8fG1 LYS 119 HE3 0.04 -0.06 -0.04 -0.04 2.99 2.88 2c8fG1 THR 120 H 0.13 0.47 0.19 -0.55 8.28 8.51 2c8fG1 THR 120 HA 0.22 0.20 0.83 -0.75 4.39 4.89 2c8fG1 THR 120 HB 0.26 0.05 -0.03 -0.04 4.32 4.56 2c8fG1 THR 120 HG23 0.14 0.01 -0.03 -0.04 1.22 1.30 2c8fG1 PRO 121 HA 0.09 0.12 0.48 -0.51 4.44 4.63 2c8fG1 PRO 121 HB2 0.09 -0.01 0.13 -0.04 2.28 2.46 2c8fG1 PRO 121 HB3 0.05 0.07 0.07 -0.04 2.02 2.17 2c8fG1 PRO 121 HG2 0.27 -0.00 -0.05 -0.04 2.03 2.20 2c8fG1 PRO 121 HG3 -0.04 0.06 0.07 -0.04 2.03 2.08 2c8fG1 PRO 121 HD2 0.50 0.07 0.15 -0.04 3.68 4.36 2c8fG1 PRO 121 HD3 0.09 0.25 0.29 -0.04 3.65 4.24 2c8fG1 GLU 122 H 0.23 0.21 -0.38 -0.55 8.60 8.11 2c8fG1 GLU 122 HA 0.07 0.02 0.44 -0.75 4.29 4.06 2c8fG1 GLU 122 HB2 0.05 0.02 0.12 -0.04 2.09 2.23 2c8fG1 GLU 122 HB3 0.14 0.13 -0.02 -0.04 1.99 2.20 2c8fG1 GLU 122 HG2 0.46 -0.06 -0.13 -0.04 2.34 2.56 2c8fG1 GLU 122 HG3 0.11 0.08 -0.21 -0.04 2.34 2.28 2c8fG1 ASN 123 H -0.02 0.08 0.18 -0.55 8.53 8.23 2c8fG1 ASN 123 HA 0.03 0.24 0.69 -0.75 4.76 4.96 2c8fG1 ASN 123 HB2 -0.20 -0.04 0.25 -0.04 2.88 2.85 2c8fG1 ASN 123 HB3 -0.48 0.03 0.08 -0.04 2.79 2.38 2c8fG1 ASN 123 HD21 -0.36 -0.02 -0.02 -0.04 7.03 6.58 2c8fG1 ASN 123 HD22 -0.78 0.39 -0.02 -0.04 7.74 7.29 2c8fG1 ILE 124 H 0.19 0.61 0.40 -0.55 8.25 8.90 2c8fG1 ILE 124 HA 0.01 0.02 0.82 -0.75 4.18 4.27 2c8fG1 ILE 124 HB 0.04 0.13 -0.20 -0.04 1.89 1.82 2c8fG1 ILE 124 HG12 -0.03 0.14 0.21 -0.04 1.49 1.76 2c8fG1 ILE 124 HG13 -0.26 -0.06 0.13 -0.04 1.21 0.97 2c8fG1 ILE 124 HG23 0.12 -0.01 -0.20 -0.04 0.93 0.80 2c8fG1 ILE 124 HD13 -0.19 -0.04 -0.05 -0.04 0.88 0.56 2c8fG1 MET 125 H -0.01 0.69 0.21 -0.55 8.47 8.82 2c8fG1 MET 125 HA -0.13 0.25 0.96 -0.75 4.52 4.84 2c8fG1 MET 125 HB2 -0.02 0.01 0.04 -0.04 2.15 2.13 2c8fG1 MET 125 HB3 -0.26 -0.00 -0.04 -0.04 2.03 1.69 2c8fG1 MET 125 HG2 -0.07 -0.07 -0.20 -0.04 2.63 2.25 2c8fG1 MET 125 HG3 -0.02 -0.02 -0.17 -0.04 2.56 2.31 2c8fG1 MET 125 HE3 -0.12 -0.02 -0.07 -0.04 2.10 1.84 2c8fG1 LEU 126 H -0.19 0.63 0.35 -0.55 8.37 8.61 2c8fG1 LEU 126 HA 0.05 0.28 0.99 -0.75 4.35 4.92 2c8fG1 LEU 126 HB2 0.05 -0.05 -0.06 -0.04 1.64 1.54 2c8fG1 LEU 126 HB3 0.10 -0.06 0.04 -0.04 1.64 1.68 2c8fG1 LEU 126 HG 0.06 -0.04 -0.59 -0.04 1.64 1.03 2c8fG1 LEU 126 HD13 0.07 -0.00 -0.22 -0.04 0.93 0.73 2c8fG1 LEU 126 HD23 0.16 0.01 -0.19 -0.04 0.89 0.83 2c8fG1 PHE 127 H 0.26 0.36 0.34 -0.55 8.34 8.75 2c8fG1 PHE 127 HA 0.02 0.38 1.12 -0.75 4.62 5.39 2c8fG1 PHE 127 HB2 0.05 -0.05 -0.22 -0.04 3.15 2.89 2c8fG1 PHE 127 HB3 0.01 -0.01 -0.06 -0.04 3.06 2.96 2c8fG1 PHE 127 HD2 0.01 0.10 -0.23 -0.04 7.28 7.12 2c8fG1 PHE 127 HE2 0.01 0.10 -0.08 -0.04 7.38 7.37 2c8fG1 PHE 127 HZ -0.00 -0.02 -0.07 -0.04 7.32 7.19 2c8fG1 ARG 128 H 0.13 0.45 0.35 -0.55 8.46 8.84 2c8fG1 ARG 128 HA 0.09 0.06 0.86 -0.75 4.34 4.59 2c8fG1 ARG 128 HB2 0.24 -0.03 -0.39 -0.04 1.90 1.67 2c8fG1 ARG 128 HB3 0.01 -0.06 -0.08 -0.04 1.80 1.63 2c8fG1 ARG 128 HG2 -0.04 0.07 0.05 -0.04 1.67 1.71 2c8fG1 ARG 128 HG3 0.05 0.19 0.19 -0.04 1.67 2.05 2c8fG1 ARG 128 HD2 0.05 0.13 -0.05 -0.04 3.22 3.31 2c8fG1 ARG 128 HD3 0.14 -0.09 -0.14 -0.04 3.22 3.09 2c8fG1 GLY 129 H 0.01 0.11 0.19 -0.55 8.43 8.19 2c8fG1 GLY 129 HA2 -0.03 0.35 1.12 -0.51 4.01 4.93 2c8fG1 GLY 129 HA3 0.04 0.24 0.46 -0.51 4.01 4.23 2c8fG1 ASP 130 H -0.08 0.69 0.29 -0.55 8.40 8.75 2c8fG1 ASP 130 HA -0.08 0.11 0.87 -0.75 4.63 4.78 2c8fG1 ASP 130 HB2 -0.33 -0.01 -0.12 -0.04 2.71 2.21 2c8fG1 ASP 130 HB3 -0.15 0.06 -0.04 -0.04 2.70 2.53 2c8fG1 ASP 131 H 0.01 0.11 0.16 -0.55 8.40 8.13 2c8fG1 ASP 131 HA 0.03 0.21 0.80 -0.75 4.63 4.91 2c8fG1 ASP 131 HB2 0.05 -0.05 0.10 -0.04 2.71 2.76 2c8fG1 ASP 131 HB3 0.05 0.02 0.14 -0.04 2.70 2.87 2c8fG1 PRO 132 HA 0.06 0.10 0.23 -0.51 4.44 4.32 2c8fG1 PRO 132 HB2 0.11 0.01 -0.10 -0.04 2.28 2.26 2c8fG1 PRO 132 HB3 0.12 0.06 -0.03 -0.04 2.02 2.13 2c8fG1 PRO 132 HG2 0.06 0.13 0.09 -0.04 2.03 2.28 2c8fG1 PRO 132 HG3 0.06 0.07 0.07 -0.04 2.03 2.18 2c8fG1 PRO 132 HD2 0.06 0.11 0.20 -0.04 3.68 4.00 2c8fG1 PRO 132 HD3 0.04 0.17 0.29 -0.04 3.65 4.11 2c8fG1 ALA 133 H 0.09 0.12 -0.27 -0.55 8.40 7.80 2c8fG1 ALA 133 HA 0.12 0.16 0.32 -0.75 4.34 4.19 2c8fG1 ALA 133 HB3 0.08 0.01 0.01 -0.04 1.41 1.47 2c8fG1 TYR 134 H 0.17 0.36 -0.34 -0.55 8.29 7.92 2c8fG1 TYR 134 HA 0.01 0.03 0.44 -0.75 4.56 4.29 2c8fG1 TYR 134 HB2 -0.02 -0.06 0.06 -0.04 3.06 3.00 2c8fG1 TYR 134 HB3 -0.06 0.06 -0.05 -0.04 2.98 2.89 2c8fG1 TYR 134 HD2 -0.09 -0.02 -0.16 -0.04 7.15 6.84 2c8fG1 TYR 134 HE2 -0.08 -0.00 -0.15 -0.04 6.85 6.57 2c8fG1 LEU 135 H 0.01 0.39 -0.34 -0.55 8.37 7.88 2c8fG1 LEU 135 HA -0.29 0.15 0.46 -0.75 4.35 3.92 2c8fG1 LEU 135 HB2 -0.50 0.07 0.00 -0.04 1.64 1.16 2c8fG1 LEU 135 HB3 -0.50 -0.02 0.08 -0.04 1.64 1.16 2c8fG1 LEU 135 HG -0.02 -0.09 -0.13 -0.04 1.64 1.36 2c8fG1 LEU 135 HD13 -0.28 -0.01 -0.06 -0.04 0.93 0.54 2c8fG1 LEU 135 HD23 -0.24 0.01 -0.13 -0.04 0.89 0.50 2c8fG1 GLY 136 H 0.09 0.36 -0.47 -0.55 8.43 7.86 2c8fG1 GLY 136 HA2 0.13 0.05 0.36 -0.51 4.01 4.04 2c8fG1 GLY 136 HA3 0.27 0.19 0.76 -0.51 4.01 4.71 2c8fG1 THR 137 H 0.10 0.22 0.15 -0.55 8.28 8.20 2c8fG1 THR 137 HA 0.10 0.05 0.29 -0.75 4.39 4.07 2c8fG1 THR 137 HB 0.05 0.01 0.10 -0.04 4.32 4.44 2c8fG1 THR 137 HG23 0.05 0.02 0.08 -0.04 1.22 1.33 2c8fG1 GLU 138 H 0.07 0.12 -0.33 -0.55 8.60 7.91 2c8fG1 GLU 138 HA -0.03 0.09 0.40 -0.75 4.29 4.00 2c8fG1 GLU 138 HB2 -0.14 0.02 0.09 -0.04 2.09 2.03 2c8fG1 GLU 138 HB3 -0.06 -0.01 0.05 -0.04 1.99 1.93 2c8fG1 GLU 138 HG2 -0.70 0.04 -0.44 -0.04 2.34 1.20 2c8fG1 GLU 138 HG3 -0.32 0.03 -0.08 -0.04 2.34 1.92 2c8fG1 PHE 139 H 0.27 0.49 -0.48 -0.55 8.34 8.07 2c8fG1 PHE 139 HA 0.05 0.14 0.85 -0.75 4.62 4.90 2c8fG1 PHE 139 HB2 0.07 0.25 -0.07 -0.04 3.15 3.37 2c8fG1 PHE 139 HB3 0.07 -0.11 0.03 -0.04 3.06 3.02 2c8fG1 PHE 139 HD2 0.08 -0.01 -0.21 -0.04 7.28 7.10 2c8fG1 PHE 139 HE2 0.08 0.12 -0.04 -0.04 7.38 7.50 2c8fG1 PHE 139 HZ 0.06 0.05 -0.28 -0.04 7.32 7.10 2c8fG1 GLN 140 H 0.13 0.43 -0.14 -0.55 8.47 8.35 2c8fG1 GLN 140 HA 0.11 -0.03 0.28 -0.75 4.36 3.96 2c8fG1 GLN 140 HB2 0.08 0.01 0.14 -0.04 2.15 2.34 2c8fG1 GLN 140 HB3 0.05 0.06 0.07 -0.04 2.02 2.16 2c8fG1 GLN 140 HG2 0.04 0.01 0.00 -0.04 2.40 2.42 2c8fG1 GLN 140 HG3 0.05 0.03 -0.10 -0.04 2.39 2.32 2c8fG1 GLN 140 HE21 0.06 -0.07 0.02 -0.04 6.97 6.94 2c8fG1 GLN 140 HE22 0.06 0.04 0.03 -0.04 7.69 7.78 2c8fG1 ASN 141 H 0.05 0.07 -0.53 -0.55 8.53 7.57 2c8fG1 ASN 141 HA 0.04 0.21 0.73 -0.75 4.76 4.98 2c8fG1 ASN 141 HB2 0.02 0.01 -0.03 -0.04 2.88 2.83 2c8fG1 ASN 141 HB3 0.02 0.03 0.06 -0.04 2.79 2.86 2c8fG1 ASN 141 HD21 0.02 -0.00 -0.04 -0.04 7.03 6.96 2c8fG1 ASN 141 HD22 0.01 0.01 -0.03 -0.04 7.74 7.69 2c8fG1 THR 142 H 0.06 0.09 -0.12 -0.55 8.28 7.76 2c8fG1 THR 142 HA 0.04 0.27 0.98 -0.75 4.39 4.91 2c8fG1 THR 142 HB 0.02 -0.06 0.08 -0.04 4.32 4.31 2c8fG1 THR 142 HG23 -0.03 0.00 -0.09 -0.04 1.22 1.06 2c8fG1 LEU 143 H 0.13 0.36 0.04 -0.55 8.37 8.35 2c8fG1 LEU 143 HA 0.19 -0.02 0.11 -0.75 4.35 3.88 2c8fG1 LEU 143 HB2 0.25 0.01 0.08 -0.04 1.64 1.94 2c8fG1 LEU 143 HB3 0.12 0.03 0.06 -0.04 1.64 1.81 2c8fG1 LEU 143 HG 0.07 0.03 -0.25 -0.04 1.64 1.45 2c8fG1 LEU 143 HD13 0.12 -0.01 -0.04 -0.04 0.93 0.96 2c8fG1 LEU 143 HD23 0.03 -0.00 -0.08 -0.04 0.89 0.80 2c8fG1 LEU 144 H 0.07 0.10 -0.16 -0.55 8.37 7.83 2c8fG1 LEU 144 HA 0.03 0.22 0.89 -0.75 4.35 4.74 2c8fG1 LEU 144 HB2 0.04 -0.05 0.06 -0.04 1.64 1.65 2c8fG1 LEU 144 HB3 0.02 0.07 0.01 -0.04 1.64 1.70 2c8fG1 LEU 144 HG 0.03 -0.10 -0.09 -0.04 1.64 1.45 2c8fG1 LEU 144 HD13 0.02 -0.02 0.03 -0.04 0.93 0.93 2c8fG1 LEU 144 HD23 0.01 0.02 -0.14 -0.04 0.89 0.74 2c8fG1 ASN 145 H 0.03 0.59 0.15 -0.55 8.53 8.75 2c8fG1 ASN 145 HA 0.03 0.13 0.66 -0.75 4.76 4.83 2c8fG1 ASN 145 HB2 0.02 0.03 -0.09 -0.04 2.88 2.79 2c8fG1 ASN 145 HB3 0.02 -0.03 -0.04 -0.04 2.79 2.70 2c8fG1 ASN 145 HD21 0.03 -0.11 0.01 -0.04 7.03 6.92 2c8fG1 ASN 145 HD22 0.03 0.05 0.04 -0.04 7.74 7.82 2c8fG1 SER 146 H 0.02 0.15 0.04 -0.55 8.46 8.13 2c8fG1 SER 146 HA 0.01 0.10 0.33 -0.75 4.49 4.17 2c8fG1 SER 146 HB2 0.01 -0.00 0.21 -0.04 3.95 4.13 2c8fG1 SER 146 HB3 0.01 0.03 0.15 -0.04 3.93 4.07 2c8fG1 ASN 147 H 0.01 0.51 0.24 -0.55 8.53 8.75 2c8fG1 ASN 147 HA 0.01 0.04 0.24 -0.75 4.76 4.29 2c8fG1 ASN 147 HB2 0.00 -0.02 0.24 -0.04 2.88 3.06 2c8fG1 ASN 147 HB3 0.01 0.25 0.41 -0.04 2.79 3.42 2c8fG1 ASN 147 HD21 0.01 -0.05 -0.15 -0.04 7.03 6.80 2c8fG1 ASN 147 HD22 0.01 0.10 -0.09 -0.04 7.74 7.71 2c8fG1 GLY 148 H 0.01 0.21 0.21 -0.55 8.43 8.30 2c8fG1 GLY 148 HA2 0.00 0.02 0.38 -0.51 4.01 3.90 2c8fG1 GLY 148 HA3 -0.00 0.12 0.35 -0.51 4.01 3.97 2c8fG1 THR 149 H 0.00 0.07 -0.43 -0.55 8.28 7.38 2c8fG1 THR 149 HA -0.02 0.18 0.53 -0.75 4.39 4.33 2c8fG1 THR 149 HB -0.01 0.07 0.04 -0.04 4.32 4.38 2c8fG1 THR 149 HG23 -0.01 0.04 -0.02 -0.04 1.22 1.19 2c8fG1 ILE 150 H -0.04 0.60 0.31 -0.55 8.25 8.58 2c8fG1 ILE 150 HA 0.01 0.19 0.62 -0.75 4.18 4.24 2c8fG1 ILE 150 HB -0.12 0.01 0.11 -0.04 1.89 1.85 2c8fG1 ILE 150 HG12 -0.04 -0.00 -0.09 -0.04 1.49 1.31 2c8fG1 ILE 150 HG13 -0.05 0.06 -0.09 -0.04 1.21 1.10 2c8fG1 ILE 150 HG23 -0.05 0.01 -0.13 -0.04 0.93 0.71 2c8fG1 ILE 150 HD13 -0.15 -0.00 -0.43 -0.04 0.88 0.26 2c8fG1 ASN 151 H 0.06 0.58 0.21 -0.55 8.53 8.83 2c8fG1 ASN 151 HA 0.05 0.01 0.46 -0.75 4.76 4.53 2c8fG1 ASN 151 HB2 0.06 0.17 -0.07 -0.04 2.88 3.00 2c8fG1 ASN 151 HB3 0.10 -0.03 0.15 -0.04 2.79 2.97 2c8fG1 ASN 151 HD21 0.04 -0.02 0.02 -0.04 7.03 7.02 2c8fG1 ASN 151 HD22 0.04 0.09 -0.02 -0.04 7.74 7.82 2c8fG1 LYS 152 H 0.07 0.19 0.23 -0.55 8.42 8.34 2c8fG1 LYS 152 HA 0.17 0.11 0.33 -0.75 4.32 4.18 2c8fG1 LYS 152 HB2 0.07 0.07 0.18 -0.04 1.87 2.14 2c8fG1 LYS 152 HB3 0.07 -0.02 0.08 -0.04 1.79 1.88 2c8fG1 LYS 152 HG2 0.12 -0.03 0.01 -0.04 1.46 1.53 2c8fG1 LYS 152 HG3 0.11 0.04 0.06 -0.04 1.46 1.63 2c8fG1 LYS 152 HD2 0.05 0.03 0.02 -0.04 1.69 1.75 2c8fG1 LYS 152 HD3 0.05 -0.02 -0.01 -0.04 1.68 1.66 2c8fG1 LYS 152 HE2 0.04 0.02 -0.00 -0.04 2.99 3.01 2c8fG1 LYS 152 HE3 0.05 -0.01 -0.03 -0.04 2.99 2.96 2c8fG1 THR 153 H 0.07 0.10 -0.10 -0.55 8.28 7.80 2c8fG1 THR 153 HA 0.06 0.11 0.42 -0.75 4.39 4.22 2c8fG1 THR 153 HB 0.05 -0.00 0.02 -0.04 4.32 4.34 2c8fG1 THR 153 HG23 0.02 0.02 -0.06 -0.04 1.22 1.16 2c8fG1 ALA 154 H 0.12 0.10 -0.36 -0.55 8.40 7.72 2c8fG1 ALA 154 HA 0.17 0.07 0.40 -0.75 4.34 4.23 2c8fG1 ALA 154 HB3 0.21 0.05 -0.02 -0.04 1.41 1.61 2c8fG1 PHE 155 H 0.28 0.60 -0.12 -0.55 8.34 8.56 2c8fG1 PHE 155 HA 0.07 0.01 0.43 -0.75 4.62 4.38 2c8fG1 PHE 155 HB2 0.05 0.05 0.00 -0.04 3.15 3.20 2c8fG1 PHE 155 HB3 0.04 0.14 0.12 -0.04 3.06 3.32 2c8fG1 PHE 155 HD2 0.03 -0.01 -0.02 -0.04 7.28 7.24 2c8fG1 PHE 155 HE2 0.01 -0.02 -0.12 -0.04 7.38 7.22 2c8fG1 PHE 155 HZ 0.01 0.07 -0.21 -0.04 7.32 7.14 2c8fG1 GLU 156 H 0.08 0.49 -0.14 -0.55 8.60 8.48 2c8fG1 GLU 156 HA -0.23 0.02 0.39 -0.75 4.29 3.72 2c8fG1 GLU 156 HB2 0.01 0.13 0.09 -0.04 2.09 2.28 2c8fG1 GLU 156 HB3 -0.04 -0.02 0.03 -0.04 1.99 1.92 2c8fG1 GLU 156 HG2 0.03 0.15 0.06 -0.04 2.34 2.54 2c8fG1 GLU 156 HG3 -0.01 -0.04 0.01 -0.04 2.34 2.27 2c8fG1 LYS 157 H 0.10 0.33 -0.37 -0.55 8.42 7.93 2c8fG1 LYS 157 HA 0.05 0.05 0.52 -0.75 4.32 4.19 2c8fG1 ALA 158 H 0.24 0.53 -0.03 -0.55 8.40 8.59 2c8fG1 ALA 158 HA 0.22 0.10 0.54 -0.75 4.34 4.45 2c8fG1 ALA 158 HB3 -0.08 0.00 0.05 -0.04 1.41 1.33 2c8fG1 LYS 159 H -0.03 0.60 -0.10 -0.55 8.42 8.33 2c8fG1 LYS 159 HA 0.01 -0.02 0.55 -0.75 4.32 4.10 2c8fG1 LYS 159 HB2 -0.26 0.07 0.14 -0.04 1.87 1.78 2c8fG1 LYS 159 HB3 -0.16 -0.00 -0.03 -0.04 1.79 1.56 2c8fG1 LYS 159 HG2 -0.17 -0.08 0.01 -0.04 1.46 1.18 2c8fG1 LYS 159 HG3 -0.95 0.08 -0.06 -0.04 1.46 0.49 2c8fG1 LYS 159 HD2 -0.21 -0.01 0.03 -0.04 1.69 1.46 2c8fG1 LYS 159 HD3 -0.45 0.08 0.00 -0.04 1.68 1.27 2c8fG1 LYS 159 HE2 -1.06 -0.06 -0.14 -0.04 2.99 1.70 2c8fG1 LYS 159 HE3 -0.35 0.03 -0.03 -0.04 2.99 2.61 2c8fG1 ALA 160 H -0.03 0.46 -0.22 -0.55 8.40 8.06 2c8fG1 ALA 160 HA -0.04 0.03 0.45 -0.75 4.34 4.02 2c8fG1 ALA 160 HB3 -0.02 0.03 0.12 -0.04 1.41 1.50 2c8fG1 LYS 161 H -0.03 0.18 -0.40 -0.55 8.42 7.62 2c8fG1 LYS 161 HA -0.22 0.02 0.30 -0.75 4.32 3.66 2c8fG1 LYS 161 HB2 -0.13 0.02 0.13 -0.04 1.87 1.85 2c8fG1 LYS 161 HB3 -0.39 0.07 0.17 -0.04 1.79 1.60 2c8fG1 LYS 161 HG2 -2.10 0.00 -0.11 -0.04 1.46 -0.79 2c8fG1 LYS 161 HG3 -0.55 -0.03 0.07 -0.04 1.46 0.91 2c8fG1 LYS 161 HD2 -0.12 -0.08 0.02 -0.04 1.69 1.48 2c8fG1 LYS 161 HD3 0.01 0.01 0.04 -0.04 1.68 1.70 2c8fG1 LYS 161 HE2 -0.26 0.05 -0.00 -0.04 2.99 2.74 2c8fG1 LYS 161 HE3 -0.26 -0.05 0.01 -0.04 2.99 2.65 2c8fG1 PHE 162 H 0.04 0.18 -0.27 -0.55 8.34 7.73 2c8fG1 PHE 162 HA -0.05 0.17 0.65 -0.75 4.62 4.64 2c8fG1 PHE 162 HB2 -0.03 0.12 0.04 -0.04 3.15 3.24 2c8fG1 PHE 162 HB3 -0.02 -0.11 -0.11 -0.04 3.06 2.78 2c8fG1 PHE 162 HD2 -0.08 0.07 -0.03 -0.04 7.28 7.20 2c8fG1 PHE 162 HE2 -0.16 0.01 0.01 -0.04 7.38 7.20 2c8fG1 PHE 162 HZ -0.14 0.01 -0.07 -0.04 7.32 7.08 2c8fG1 LEU 163 H 0.07 0.34 0.12 -0.55 8.37 8.36 2c8fG1 LEU 163 HA 0.03 -0.11 0.34 -0.75 4.35 3.85 2c8fG1 LEU 163 HB2 0.00 -0.11 0.18 -0.04 1.64 1.67 2c8fG1 LEU 163 HB3 -0.01 0.15 0.12 -0.04 1.64 1.86 2c8fG1 LEU 163 HG 0.01 0.06 -0.21 -0.04 1.64 1.46 2c8fG1 LEU 163 HD13 0.02 -0.04 -0.03 -0.04 0.93 0.84 2c8fG1 LEU 163 HD23 -0.03 -0.02 0.01 -0.04 0.89 0.82 2c8fG1 ASN 164 H -0.03 0.34 0.24 -0.55 8.53 8.54 2c8fG1 ASN 164 HA 0.00 0.08 0.41 -0.75 4.76 4.50 2c8fG1 ASN 164 HB2 0.05 -0.07 -0.08 -0.04 2.88 2.74 2c8fG1 ASN 164 HB3 0.03 0.16 0.13 -0.04 2.79 3.07 2c8fG1 ASN 164 HD21 0.06 -0.06 0.05 -0.04 7.03 7.04 2c8fG1 ASN 164 HD22 0.04 0.00 0.05 -0.04 7.74 7.79 2c8fG1 LYS 165 H -0.16 0.38 0.01 -0.55 8.42 8.10 2c8fG1 LYS 165 HA -0.05 0.11 0.67 -0.75 4.32 4.30 2c8fG1 LYS 165 HB2 -0.02 0.10 0.02 -0.04 1.87 1.92 2c8fG1 LYS 165 HB3 -0.04 -0.05 0.17 -0.04 1.79 1.83 2c8fG1 LYS 165 HG2 -0.02 -0.09 0.04 -0.04 1.46 1.35 2c8fG1 LYS 165 HG3 -0.03 0.13 -0.54 -0.04 1.46 0.98 2c8fG1 LYS 165 HD2 -0.07 0.18 -0.16 -0.04 1.69 1.59 2c8fG1 LYS 165 HD3 -0.07 -0.07 0.05 -0.04 1.68 1.54 2c8fG1 LYS 165 HE2 -0.07 0.04 -0.01 -0.04 2.99 2.91 2c8fG1 LYS 165 HE3 -0.04 -0.13 0.01 -0.04 2.99 2.79 2c8fG1 ASP 166 H -0.03 0.13 0.19 -0.55 8.40 8.14 2c8fG1 ASP 166 HA -0.05 0.18 0.80 -0.75 4.63 4.81 2c8fG1 ASP 166 HB2 -0.00 -0.02 0.10 -0.04 2.71 2.75 2c8fG1 ASP 166 HB3 -0.04 -0.02 -0.04 -0.04 2.70 2.57 2c8fG1 ARG 167 H -0.23 0.60 0.33 -0.55 8.46 8.60 2c8fG1 ARG 167 HA -0.15 0.13 0.76 -0.75 4.34 4.32 2c8fG1 ARG 167 HB2 -0.05 0.09 -0.09 -0.04 1.90 1.81 2c8fG1 ARG 167 HB3 -0.49 -0.05 0.03 -0.04 1.80 1.25 2c8fG1 ARG 167 HG2 -0.42 -0.04 -0.45 -0.04 1.67 0.72 2c8fG1 ARG 167 HG3 -0.14 0.03 -0.00 -0.04 1.67 1.52 2c8fG1 ARG 167 HD2 -0.12 0.03 -0.08 -0.04 3.22 3.01 2c8fG1 ARG 167 HD3 -0.10 -0.07 -0.14 -0.04 3.22 2.87 2c8fG1 LEU 168 H -0.22 0.19 0.13 -0.55 8.37 7.92 2c8fG1 LEU 168 HA -0.35 0.23 0.81 -0.75 4.35 4.29 2c8fG1 LEU 168 HB2 -0.27 -0.02 -0.02 -0.04 1.64 1.29 2c8fG1 LEU 168 HB3 -0.31 -0.01 0.04 -0.04 1.64 1.32 2c8fG1 LEU 168 HG -0.73 -0.03 -0.31 -0.04 1.64 0.53 2c8fG1 LEU 168 HD13 -0.65 0.05 -0.26 -0.04 0.93 0.03 2c8fG1 LEU 168 HD23 -0.41 0.00 -0.10 -0.04 0.89 0.33 2c8fG1 GLU 169 H -0.33 0.50 0.19 -0.55 8.60 8.42 2c8fG1 GLU 169 HA -0.17 0.11 0.90 -0.75 4.29 4.37 2c8fG1 GLU 169 HB2 0.01 0.04 -0.15 -0.04 2.09 1.95 2c8fG1 GLU 169 HB3 -0.04 0.08 0.10 -0.04 1.99 2.09 2c8fG1 GLU 169 HG2 0.10 0.04 -0.19 -0.04 2.34 2.25 2c8fG1 GLU 169 HG3 0.01 0.02 -0.37 -0.04 2.34 1.96 2c8fG1 TYR 170 H -0.03 0.16 0.10 -0.55 8.29 7.97 2c8fG1 TYR 170 HA 0.00 0.11 0.55 -0.75 4.56 4.47 2c8fG1 TYR 170 HB2 0.03 -0.05 -0.15 -0.04 3.06 2.85 2c8fG1 TYR 170 HB3 0.04 -0.00 -0.19 -0.04 2.98 2.78 2c8fG1 TYR 170 HD2 0.06 0.00 -0.10 -0.04 7.15 7.08 2c8fG1 TYR 170 HE2 0.06 0.05 -0.05 -0.04 6.85 6.86 2c8fG1 GLY 171 H 0.09 0.01 -0.10 -0.55 8.43 7.89 2c8fG1 GLY 171 HA2 0.08 0.01 0.49 -0.51 4.01 4.08 2c8fG1 GLY 171 HA3 0.12 0.04 0.29 -0.51 4.01 3.95 2c8fG1 TYR 172 H 0.23 0.01 0.13 -0.55 8.29 8.10 2c8fG1 TYR 172 HA 0.01 0.24 0.41 -0.75 4.56 4.46 2c8fG1 TYR 172 HB2 0.13 -0.11 -0.00 -0.04 3.06 3.03 2c8fG1 TYR 172 HB3 -0.06 0.13 -0.07 -0.04 2.98 2.94 2c8fG1 TYR 172 HD2 0.11 0.07 -0.03 -0.04 7.15 7.26 2c8fG1 TYR 172 HE2 0.14 0.01 -0.07 -0.04 6.85 6.88 2c8fG1 ILE 173 H 0.06 0.47 -0.04 -0.55 8.25 8.20 2c8fG1 ILE 173 HA 0.08 0.09 0.80 -0.75 4.18 4.40 2c8fG1 ILE 173 HB -0.10 0.02 0.05 -0.04 1.89 1.82 2c8fG1 ILE 173 HG12 0.07 -0.02 -0.18 -0.04 1.49 1.32 2c8fG1 ILE 173 HG13 0.02 0.09 -0.40 -0.04 1.21 0.88 2c8fG1 ILE 173 HG23 -0.23 -0.01 -0.26 -0.04 0.93 0.40 2c8fG1 ILE 173 HD13 -0.00 -0.00 -0.15 -0.04 0.88 0.69 2c8fG1 SER 174 H 0.11 0.13 0.00 -0.55 8.46 8.17 2c8fG1 SER 174 HA 0.12 0.13 0.75 -0.75 4.49 4.73 2c8fG1 SER 174 HB2 0.10 -0.04 0.09 -0.04 3.95 4.06 2c8fG1 SER 174 HB3 0.05 0.02 -0.11 -0.04 3.93 3.85 2c8fG1 THR 175 H 0.10 0.50 0.31 -0.55 8.28 8.65 2c8fG1 THR 175 HA 0.11 0.20 0.83 -0.75 4.39 4.77 2c8fG1 THR 175 HB 0.14 -0.02 0.16 -0.04 4.32 4.57 2c8fG1 THR 175 HG23 -0.04 0.04 -0.44 -0.04 1.22 0.73 2c8fG1 SER 176 H 0.20 0.42 0.40 -0.55 8.46 8.94 2c8fG1 SER 176 HA 0.17 0.40 0.93 -0.75 4.49 5.23 2c8fG1 SER 176 HB2 0.16 0.03 0.05 -0.04 3.95 4.16 2c8fG1 SER 176 HB3 0.13 -0.01 0.21 -0.04 3.93 4.22 2c8fG1 LEU 177 H 0.16 0.33 0.31 -0.55 8.37 8.62 2c8fG1 LEU 177 HA 0.23 0.20 0.58 -0.75 4.35 4.62 2c8fG1 LEU 177 HB2 0.01 -0.09 0.10 -0.04 1.64 1.63 2c8fG1 LEU 177 HB3 0.03 -0.02 0.13 -0.04 1.64 1.74 2c8fG1 LEU 177 HG 0.17 0.07 -0.02 -0.04 1.64 1.82 2c8fG1 LEU 177 HD13 -0.09 -0.04 -0.04 -0.04 0.93 0.73 2c8fG1 LEU 177 HD23 0.10 0.02 -0.04 -0.04 0.89 0.93 2c8fG1 MET 178 H 0.11 0.12 -0.10 -0.55 8.47 8.05 2c8fG1 MET 178 HA -0.21 0.21 0.62 -0.75 4.52 4.38 2c8fG1 MET 178 HB2 -0.03 -0.10 -0.16 -0.04 2.15 1.82 2c8fG1 MET 178 HB3 -0.11 0.06 -0.03 -0.04 2.03 1.91 2c8fG1 MET 178 HG2 0.11 0.36 -0.09 -0.04 2.63 2.96 2c8fG1 MET 178 HG3 0.05 -0.17 -0.49 -0.04 2.56 1.91 2c8fG1 MET 178 HE3 -0.02 -0.00 -0.16 -0.04 2.10 1.88 2c8fG1 ASN 179 H -0.74 0.18 0.03 -0.55 8.53 7.46 2c8fG1 ASN 179 HA -0.18 0.02 0.39 -0.75 4.76 4.23 2c8fG1 ASN 179 HB2 -0.60 0.01 0.09 -0.04 2.88 2.34 2c8fG1 ASN 179 HB3 -0.23 -0.01 0.14 -0.04 2.79 2.65 2c8fG1 ASN 179 HD21 -0.02 0.06 -0.02 -0.04 7.03 7.00 2c8fG1 ASN 179 HD22 -0.09 -0.02 -0.02 -0.04 7.74 7.57 2c8fG1 VAL 180 H 0.00 0.15 0.20 -0.55 8.24 8.04 2c8fG1 VAL 180 HA -0.03 0.14 0.42 -0.75 4.13 3.91 2c8fG1 VAL 180 HB 0.00 -0.09 0.15 -0.04 2.12 2.14 2c8fG1 VAL 180 HG13 0.05 0.08 0.05 -0.04 0.97 1.11 2c8fG1 VAL 180 HG23 0.07 -0.05 -0.11 -0.04 0.95 0.82 2c8fG1 SER 181 H -0.04 0.11 0.18 -0.55 8.46 8.17 2c8fG1 SER 181 HA -0.03 0.14 0.77 -0.75 4.49 4.61 2c8fG1 SER 181 HB2 -0.05 0.07 0.03 -0.04 3.95 3.95 2c8fG1 SER 181 HB3 -0.04 0.08 0.02 -0.04 3.93 3.95 2c8fG1 GLN 182 H -0.13 0.04 0.10 -0.55 8.47 7.94 2c8fG1 GLN 182 HA -0.35 0.10 0.46 -0.75 4.36 3.81 2c8fG1 GLN 182 HB2 -0.27 -0.08 0.06 -0.04 2.15 1.81 2c8fG1 GLN 182 HB3 -1.15 0.10 0.00 -0.04 2.02 0.92 2c8fG1 GLN 182 HG2 -0.23 0.07 0.10 -0.04 2.40 2.30 2c8fG1 GLN 182 HG3 -0.13 -0.08 0.12 -0.04 2.39 2.25 2c8fG1 GLN 182 HE21 0.03 0.12 0.04 -0.04 6.97 7.12 2c8fG1 GLN 182 HE22 -0.22 0.02 0.04 -0.04 7.69 7.48 2c8fG1 PHE 183 H -0.03 -0.09 -0.87 -0.55 8.34 6.81 2c8fG1 PHE 183 HA -0.00 0.22 0.67 -0.75 4.62 4.75 2c8fG1 PHE 183 HB2 0.01 -0.04 -0.10 -0.04 3.15 2.98 2c8fG1 PHE 183 HB3 0.01 0.01 0.08 -0.04 3.06 3.12 2c8fG1 PHE 183 HD2 0.02 -0.01 -0.08 -0.04 7.28 7.17 2c8fG1 PHE 183 HE2 0.02 -0.01 -0.03 -0.04 7.38 7.32 2c8fG1 PHE 183 HZ 0.01 0.02 -0.02 -0.04 7.32 7.29 2c8fG1 ALA 184 H 0.02 0.09 0.06 -0.55 8.40 8.02 2c8fG1 ALA 184 HA 0.04 0.16 0.75 -0.75 4.34 4.53 2c8fG1 ALA 184 HB3 -0.01 0.04 0.04 -0.04 1.41 1.43 2c8fG1 GLY 185 H 0.01 0.14 -0.14 -0.55 8.43 7.89 2c8fG1 GLY 185 HA2 -0.00 0.17 0.69 -0.51 4.01 4.36 2c8fG1 GLY 185 HA3 -0.00 -0.02 0.33 -0.51 4.01 3.81 2c8fG1 ARG 186 H 0.02 0.20 -0.71 -0.55 8.46 7.42 2c8fG1 ARG 186 HA 0.03 0.13 0.74 -0.75 4.34 4.49 2c8fG1 ARG 186 HB2 0.02 0.06 -0.00 -0.04 1.90 1.94 2c8fG1 ARG 186 HB3 0.02 0.08 -0.10 -0.04 1.80 1.77 2c8fG1 ARG 186 HG2 0.11 -0.16 -0.41 -0.04 1.67 1.17 2c8fG1 ARG 186 HG3 0.13 0.11 -0.09 -0.04 1.67 1.78 2c8fG1 ARG 186 HD2 0.07 -0.02 -0.15 -0.04 3.22 3.08 2c8fG1 ARG 186 HD3 0.15 0.02 -0.12 -0.04 3.22 3.23 2c8fG1 PRO 187 HA -0.02 0.22 0.52 -0.51 4.44 4.65 2c8fG1 PRO 187 HB2 -0.00 -0.04 0.01 -0.04 2.28 2.20 2c8fG1 PRO 187 HB3 0.00 0.06 0.12 -0.04 2.02 2.17 2c8fG1 PRO 187 HG2 0.01 0.01 0.18 -0.04 2.03 2.19 2c8fG1 PRO 187 HG3 0.02 -0.02 0.15 -0.04 2.03 2.14 2c8fG1 PRO 187 HD2 0.02 0.13 0.28 -0.04 3.68 4.06 2c8fG1 PRO 187 HD3 0.02 0.12 0.23 -0.04 3.65 3.98 2c8fG1 ILE 188 H -0.03 0.46 0.03 -0.55 8.25 8.15 2c8fG1 ILE 188 HA -0.07 0.20 0.94 -0.75 4.18 4.49 2c8fG1 ILE 188 HB -0.13 -0.06 0.02 -0.04 1.89 1.68 2c8fG1 ILE 188 HG12 -0.03 0.02 -0.19 -0.04 1.49 1.25 2c8fG1 ILE 188 HG13 -0.02 -0.08 -0.21 -0.04 1.21 0.85 2c8fG1 ILE 188 HG23 -0.16 0.00 -0.21 -0.04 0.93 0.52 2c8fG1 ILE 188 HD13 0.03 0.01 -0.26 -0.04 0.88 0.63 2c8fG1 ILE 189 H -0.08 0.77 0.46 -0.55 8.25 8.84 2c8fG1 ILE 189 HA -0.06 0.29 1.14 -0.75 4.18 4.79 2c8fG1 ILE 189 HB -0.04 -0.06 0.14 -0.04 1.89 1.89 2c8fG1 ILE 189 HG12 -0.03 0.03 -0.26 -0.04 1.49 1.18 2c8fG1 ILE 189 HG13 -0.02 -0.06 -0.04 -0.04 1.21 1.05 2c8fG1 ILE 189 HG23 0.03 -0.01 -0.05 -0.04 0.93 0.86 2c8fG1 ILE 189 HD13 -0.00 0.04 0.04 -0.04 0.88 0.92 2c8fG1 THR 190 H -0.10 0.59 0.41 -0.55 8.28 8.63 2c8fG1 THR 190 HA -0.30 0.30 1.11 -0.75 4.39 4.75 2c8fG1 THR 190 HB -0.37 -0.04 0.01 -0.04 4.32 3.87 2c8fG1 THR 190 HG23 -1.22 -0.01 -0.24 -0.04 1.22 -0.30 2c8fG1 LYS 191 H -0.44 0.50 0.27 -0.55 8.42 8.20 2c8fG1 LYS 191 HA -0.45 0.27 1.13 -0.75 4.32 4.52 2c8fG1 LYS 191 HB2 -0.22 -0.04 0.24 -0.04 1.87 1.81 2c8fG1 LYS 191 HB3 -0.34 0.02 0.04 -0.04 1.79 1.47 2c8fG1 LYS 191 HG2 0.14 -0.01 -0.13 -0.04 1.46 1.42 2c8fG1 LYS 191 HG3 -0.04 -0.10 -0.59 -0.04 1.46 0.69 2c8fG1 LYS 191 HD2 0.09 -0.04 -0.12 -0.04 1.69 1.59 2c8fG1 LYS 191 HD3 -0.03 0.02 -0.17 -0.04 1.68 1.46 2c8fG1 LYS 191 HE2 -0.09 0.01 -0.04 -0.04 2.99 2.83 2c8fG1 LYS 191 HE3 0.04 -0.01 -0.07 -0.04 2.99 2.91 2c8fG1 PHE 192 H -0.19 0.49 0.21 -0.55 8.34 8.28 2c8fG1 PHE 192 HA -0.21 0.21 0.84 -0.75 4.62 4.70 2c8fG1 PHE 192 HB2 -0.17 -0.03 0.01 -0.04 3.15 2.92 2c8fG1 PHE 192 HB3 -0.15 0.01 -0.10 -0.04 3.06 2.78 2c8fG1 PHE 192 HD2 -0.23 0.01 -0.26 -0.04 7.28 6.76 2c8fG1 PHE 192 HE2 -0.95 0.01 -0.23 -0.04 7.38 6.16 2c8fG1 PHE 192 HZ -0.50 0.01 -0.20 -0.04 7.32 6.59 2c8fG1 LYS 193 H -0.10 0.50 0.42 -0.55 8.42 8.70 2c8fG1 LYS 193 HA -0.36 0.15 0.87 -0.75 4.32 4.23 2c8fG1 LYS 193 HB2 -0.35 -0.06 0.27 -0.04 1.87 1.69 2c8fG1 LYS 193 HB3 -1.62 0.01 -0.01 -0.04 1.79 0.13 2c8fG1 LYS 193 HG2 -0.68 -0.02 -0.06 -0.04 1.46 0.65 2c8fG1 LYS 193 HG3 -0.34 0.08 -0.05 -0.04 1.46 1.10 2c8fG1 LYS 193 HD2 -0.25 -0.02 -0.05 -0.04 1.69 1.32 2c8fG1 LYS 193 HD3 -0.70 0.03 -0.06 -0.04 1.68 0.91 2c8fG1 LYS 193 HE2 -0.20 -0.02 -0.06 -0.04 2.99 2.67 2c8fG1 LYS 193 HE3 -0.16 -0.01 -0.08 -0.04 2.99 2.70 2c8fG1 VAL 194 H 0.13 0.67 0.27 -0.55 8.24 8.76 2c8fG1 VAL 194 HA 0.10 0.14 0.90 -0.75 4.13 4.51 2c8fG1 VAL 194 HB 0.10 0.04 0.04 -0.04 2.12 2.26 2c8fG1 VAL 194 HG13 0.06 0.03 -0.19 -0.04 0.97 0.83 2c8fG1 VAL 194 HG23 0.01 -0.01 -0.26 -0.04 0.95 0.66 2c8fG1 ALA 195 H 0.10 0.20 0.16 -0.55 8.40 8.31 2c8fG1 ALA 195 HA 0.10 -0.03 0.23 -0.75 4.34 3.89 2c8fG1 ALA 195 HB3 0.07 0.04 0.05 -0.04 1.41 1.53 2c8fG1 LYS 196 H 0.02 0.01 0.11 -0.55 8.42 8.01 2c8fG1 LYS 196 HA 0.07 -0.02 0.18 -0.75 4.32 3.80 2c8fG1 LYS 196 HB2 0.01 -0.15 0.11 -0.04 1.87 1.80 2c8fG1 LYS 196 HB3 0.02 0.01 0.06 -0.04 1.79 1.84 2c8fG1 LYS 196 HG2 0.03 0.02 -0.21 -0.04 1.46 1.26 2c8fG1 LYS 196 HG3 0.05 0.06 -0.18 -0.04 1.46 1.36 2c8fG1 LYS 196 HD2 0.03 0.01 -0.00 -0.04 1.69 1.68 2c8fG1 LYS 196 HD3 0.01 -0.04 0.01 -0.04 1.68 1.61 2c8fG1 LYS 196 HE2 0.02 -0.01 -0.04 -0.04 2.99 2.93 2c8fG1 LYS 196 HE3 0.04 0.11 0.00 -0.04 2.99 3.10 2c8fG1 GLY 197 H 0.09 0.61 0.30 -0.55 8.43 8.88 2c8fG1 GLY 197 HA2 0.07 0.03 0.34 -0.51 4.01 3.94 2c8fG1 GLY 197 HA3 0.05 0.01 0.42 -0.51 4.01 3.97 2c8fG1 SER 198 H 0.07 0.29 -0.09 -0.55 8.46 8.19 2c8fG1 SER 198 HA 0.03 0.08 0.66 -0.75 4.49 4.51 2c8fG1 SER 198 HB2 0.07 -0.05 -0.03 -0.04 3.95 3.90 2c8fG1 SER 198 HB3 0.02 -0.01 0.03 -0.04 3.93 3.93 2c8fG1 LYS 199 H 0.00 0.09 0.16 -0.55 8.42 8.11 2c8fG1 LYS 199 HA 0.12 0.24 0.73 -0.75 4.32 4.65 2c8fG1 LYS 199 HB2 -0.14 -0.09 0.21 -0.04 1.87 1.82 2c8fG1 LYS 199 HB3 -0.09 -0.01 0.08 -0.04 1.79 1.72 2c8fG1 LYS 199 HG2 0.10 0.28 0.04 -0.04 1.46 1.84 2c8fG1 LYS 199 HG3 0.03 -0.04 0.06 -0.04 1.46 1.47 2c8fG1 LYS 199 HD2 -0.05 -0.05 0.04 -0.04 1.69 1.60 2c8fG1 LYS 199 HD3 -0.07 -0.05 0.01 -0.04 1.68 1.53 2c8fG1 LYS 199 HE2 0.07 0.07 -0.17 -0.04 2.99 2.92 2c8fG1 LYS 199 HE3 0.02 0.00 -0.02 -0.04 2.99 2.95 2c8fG1 ALA 200 H 0.21 0.62 0.19 -0.55 8.40 8.88 2c8fG1 ALA 200 HA 0.28 0.26 0.65 -0.75 4.34 4.78 2c8fG1 ALA 200 HB3 0.17 -0.01 -0.24 -0.04 1.41 1.29 2c8fG1 GLY 201 H 0.28 0.55 0.22 -0.55 8.43 8.93 2c8fG1 GLY 201 HA2 0.08 0.18 0.76 -0.51 4.01 4.53 2c8fG1 GLY 201 HA3 -0.09 0.01 0.17 -0.51 4.01 3.60 2c8fG1 TYR 202 H 0.51 0.25 0.12 -0.55 8.29 8.62 2c8fG1 TYR 202 HA 0.16 0.21 0.73 -0.75 4.56 4.91 2c8fG1 TYR 202 HB2 0.21 0.05 0.08 -0.04 3.06 3.36 2c8fG1 TYR 202 HB3 0.20 0.05 0.17 -0.04 2.98 3.36 2c8fG1 TYR 202 HD2 0.08 0.12 -0.20 -0.04 7.15 7.11 2c8fG1 TYR 202 HE2 0.01 -0.04 -0.09 -0.04 6.85 6.69 2c8fG1 ILE 203 H -0.19 0.50 0.27 -0.55 8.25 8.29 2c8fG1 ILE 203 HA -0.08 0.27 0.67 -0.75 4.18 4.28 2c8fG1 ILE 203 HB -0.05 -0.04 0.04 -0.04 1.89 1.80 2c8fG1 ILE 203 HG12 -0.02 0.09 -0.04 -0.04 1.49 1.48 2c8fG1 ILE 203 HG13 -0.04 -0.01 -0.17 -0.04 1.21 0.95 2c8fG1 ILE 203 HG23 -0.02 0.07 -0.27 -0.04 0.93 0.66 2c8fG1 ILE 203 HD13 0.05 -0.00 -0.10 -0.04 0.88 0.79 2c8fG1 ASP 204 H -0.74 0.08 0.02 -0.55 8.40 7.21 2c8fG1 ASP 204 HA -0.21 0.16 0.43 -0.75 4.63 4.26 2c8fG1 ASP 204 HB2 -0.65 -0.01 0.11 -0.04 2.71 2.12 2c8fG1 ASP 204 HB3 -0.18 0.03 -0.03 -0.04 2.70 2.48 2c8fG1 PRO 205 HA -0.26 0.05 0.31 -0.51 4.44 4.04 2c8fG1 PRO 205 HB2 -1.51 0.07 -0.08 -0.04 2.28 0.72 2c8fG1 PRO 205 HB3 -0.47 0.02 0.05 -0.04 2.02 1.58 2c8fG1 PRO 205 HG2 -0.30 0.09 -0.04 -0.04 2.03 1.74 2c8fG1 PRO 205 HG3 -0.11 -0.00 -0.00 -0.04 2.03 1.88 2c8fG1 PRO 205 HD2 -0.54 0.22 -0.26 -0.04 3.68 3.05 2c8fG1 PRO 205 HD3 -0.69 -0.02 -0.00 -0.04 3.65 2.89 2c8fG1 ILE 206 H -0.28 0.32 -0.62 -0.55 8.25 7.12 2c8fG1 ILE 206 HA -0.11 0.09 0.62 -0.75 4.18 4.03 2c8fG1 ILE 206 HB -0.06 0.13 0.07 -0.04 1.89 1.99 2c8fG1 ILE 206 HG12 0.15 -0.02 -0.08 -0.04 1.49 1.50 2c8fG1 ILE 206 HG13 -0.11 -0.01 -0.08 -0.04 1.21 0.97 2c8fG1 ILE 206 HG23 0.01 -0.04 -0.06 -0.04 0.93 0.80 2c8fG1 ILE 206 HD13 0.14 -0.02 -0.06 -0.04 0.88 0.91 2c8fG1 SER 207 H -0.12 0.40 0.07 -0.55 8.46 8.27 2c8fG1 SER 207 HA -0.11 0.08 0.74 -0.75 4.49 4.44 2c8fG1 SER 207 HB2 0.02 0.06 -0.04 -0.04 3.95 3.95 2c8fG1 SER 207 HB3 0.00 0.02 -0.12 -0.04 3.93 3.79 2c8fG1 ALA 208 H -0.29 0.12 0.13 -0.55 8.40 7.82 2c8fG1 ALA 208 HA -0.14 0.15 0.45 -0.75 4.34 4.05 2c8fG1 ALA 208 HB3 -0.29 -0.00 0.09 -0.04 1.41 1.16 2c8fG1 PHE 209 H -0.76 0.01 -0.01 -0.55 8.34 7.03 2c8fG1 PHE 209 HA -0.01 0.04 0.49 -0.75 4.62 4.39 2c8fG1 PHE 209 HB2 -0.01 -0.02 -0.19 -0.04 3.15 2.89 2c8fG1 PHE 209 HB3 -0.00 0.08 -0.00 -0.04 3.06 3.10 2c8fG1 PHE 209 HD2 -0.01 0.04 -0.01 -0.04 7.28 7.26 2c8fG1 PHE 209 HE2 -0.01 0.00 -0.00 -0.04 7.38 7.33 2c8fG1 PHE 209 HZ -0.01 -0.00 0.00 -0.04 7.32 7.27 2c8fG1 ALA 210 H 0.04 0.06 -0.71 -0.55 8.40 7.24 2c8fG1 ALA 210 HA 0.09 -0.05 0.43 -0.75 4.34 4.06 2c8fG1 ALA 210 HB3 -0.02 -0.02 0.06 -0.04 1.41 1.39 2c8fG1 GLY 211 H 0.09 0.00 0.11 -0.55 8.43 8.08 2c8fG1 GLY 211 HA2 0.10 0.17 0.63 -0.51 4.01 4.40 2c8fG1 GLY 211 HA3 0.15 -0.00 0.30 -0.51 4.01 3.95 2c8fG1 GLN 212 H 0.08 0.09 0.13 -0.55 8.47 8.22 2c8fG1 GLN 212 HA 0.04 0.13 0.58 -0.75 4.36 4.35 2c8fG1 GLN 212 HB2 0.02 0.02 0.14 -0.04 2.15 2.29 2c8fG1 GLN 212 HB3 0.04 -0.04 0.11 -0.04 2.02 2.09 2c8fG1 GLN 212 HG2 0.03 -0.02 -0.04 -0.04 2.40 2.33 2c8fG1 GLN 212 HG3 0.02 0.04 0.06 -0.04 2.39 2.47 2c8fG1 GLN 212 HE21 -0.01 0.01 0.01 -0.04 6.97 6.94 2c8fG1 GLN 212 HE22 -0.00 0.04 0.00 -0.04 7.69 7.69 2c8fG1 LEU 213 H 0.09 0.17 0.20 -0.55 8.37 8.28 2c8fG1 LEU 213 HA 0.30 0.05 0.32 -0.75 4.35 4.26 2c8fG1 LEU 213 HB2 0.10 0.12 0.14 -0.04 1.64 1.95 2c8fG1 LEU 213 HB3 0.12 -0.05 0.23 -0.04 1.64 1.90 2c8fG1 LEU 213 HG 0.06 -0.06 -0.09 -0.04 1.64 1.51 2c8fG1 LEU 213 HD13 0.01 0.00 -0.07 -0.04 0.93 0.84 2c8fG1 LEU 213 HD23 0.02 0.02 -0.01 -0.04 0.89 0.89 2c8fG1 ASN 214 H 0.06 0.12 -0.16 -0.55 8.53 8.00 2c8fG1 ASN 214 HA 0.14 0.41 0.48 -0.75 4.76 5.03 2c8fG1 ASN 214 HB2 0.07 0.04 -0.14 -0.04 2.88 2.81 2c8fG1 ASN 214 HB3 0.00 -0.13 0.10 -0.04 2.79 2.72 2c8fG1 ASN 214 HD21 0.14 0.06 -0.04 -0.04 7.03 7.15 2c8fG1 ASN 214 HD22 0.08 -0.16 0.05 -0.04 7.74 7.68 2c8fG1 MET 215 H 0.16 0.53 0.16 -0.55 8.47 8.77 2c8fG1 MET 215 HA 0.20 0.31 0.98 -0.75 4.52 5.26 2c8fG1 MET 215 HB2 0.18 -0.05 -0.12 -0.04 2.15 2.12 2c8fG1 MET 215 HB3 0.22 0.07 -0.23 -0.04 2.03 2.04 2c8fG1 MET 215 HG2 0.34 -0.07 -0.52 -0.04 2.63 2.33 2c8fG1 MET 215 HG3 0.26 0.01 -0.23 -0.04 2.56 2.55 2c8fG1 MET 215 HE3 0.35 0.02 -0.32 -0.04 2.10 2.11 2c8fG1 LEU 216 H 0.15 0.70 0.28 -0.55 8.37 8.95 2c8fG1 LEU 216 HA 0.13 0.14 0.85 -0.75 4.35 4.71 2c8fG1 LEU 216 HB2 0.04 -0.04 0.03 -0.04 1.64 1.63 2c8fG1 LEU 216 HB3 0.22 -0.03 -0.00 -0.04 1.64 1.79 2c8fG1 LEU 216 HG 0.22 0.14 -0.18 -0.04 1.64 1.78 2c8fG1 LEU 216 HD13 -0.02 0.00 -0.14 -0.04 0.93 0.73 2c8fG1 LEU 216 HD23 -0.39 -0.02 -0.11 -0.04 0.89 0.32 2c8fG1 LEU 217 H 0.10 0.54 0.25 -0.55 8.37 8.71 2c8fG1 LEU 217 HA -0.06 0.27 0.80 -0.75 4.35 4.61 2c8fG1 LEU 217 HB2 -0.08 -0.10 0.10 -0.04 1.64 1.52 2c8fG1 LEU 217 HB3 -0.13 0.07 0.06 -0.04 1.64 1.60 2c8fG1 LEU 217 HG -0.04 0.03 -0.19 -0.04 1.64 1.41 2c8fG1 LEU 217 HD13 -0.27 -0.03 -0.13 -0.04 0.93 0.46 2c8fG1 LEU 217 HD23 0.02 0.04 -0.14 -0.04 0.89 0.77 2c8fG1 PRO 218 HA -0.39 -0.03 0.24 -0.51 4.44 3.74 2c8fG1 PRO 218 HB2 -0.26 0.23 -0.05 -0.04 2.28 2.17 2c8fG1 PRO 218 HB3 -0.52 -0.00 0.09 -0.04 2.02 1.54 2c8fG1 PRO 218 HG2 -0.27 0.02 0.07 -0.04 2.03 1.81 2c8fG1 PRO 218 HG3 -0.66 0.02 0.07 -0.04 2.03 1.42 2c8fG1 PRO 218 HD2 -0.24 0.06 0.16 -0.04 3.68 3.61 2c8fG1 PRO 218 HD3 -0.46 0.34 0.15 -0.04 3.65 3.64 2c8fG1 ARG 219 H -0.39 0.00 0.10 -0.55 8.46 7.63 2c8fG1 ARG 219 HA -0.26 0.40 0.43 -0.75 4.34 4.15 2c8fG1 ARG 219 HB2 -0.25 0.41 0.01 -0.04 1.90 2.02 2c8fG1 ARG 219 HB3 -1.14 -0.18 -0.05 -0.04 1.80 0.39 2c8fG1 ARG 219 HG2 -0.19 -0.07 -0.03 -0.04 1.67 1.34 2c8fG1 ARG 219 HG3 -0.08 0.05 -0.18 -0.04 1.67 1.42 2c8fG1 ARG 219 HD2 -0.25 -0.03 -0.00 -0.04 3.22 2.89 2c8fG1 ARG 219 HD3 -0.16 -0.06 0.00 -0.04 3.22 2.96 2c8fG1 HIS 220 H -0.08 0.37 0.18 -0.55 8.41 8.34 2c8fG1 HIS 220 HA -0.19 0.03 0.29 -0.75 4.63 4.01 2c8fG1 HIS 220 HB2 -0.04 -0.06 -0.20 -0.04 3.26 2.92 2c8fG1 HIS 220 HB3 -0.09 0.19 0.03 -0.04 3.20 3.29 2c8fG1 HIS 220 HD2 0.11 0.01 -0.06 -0.04 6.97 6.98 2c8fG1 HIS 220 HE1 -0.02 -0.03 -0.01 -0.04 7.75 7.64 2c8fG1 SER 221 H -0.13 0.21 0.04 -0.55 8.46 8.03 2c8fG1 SER 221 HA -0.07 0.12 0.66 -0.75 4.49 4.44 2c8fG1 SER 221 HB2 -0.04 -0.08 -0.08 -0.04 3.95 3.70 2c8fG1 SER 221 HB3 -0.07 -0.01 -0.01 -0.04 3.93 3.79 2c8fG1 THR 222 H -0.06 0.15 0.20 -0.55 8.28 8.02 2c8fG1 THR 222 HA -0.22 0.33 1.02 -0.75 4.39 4.77 2c8fG1 THR 222 HB -0.06 -0.07 0.11 -0.04 4.32 4.26 2c8fG1 THR 222 HG23 -0.09 -0.00 -0.19 -0.04 1.22 0.90 2c8fG1 TYR 223 H -0.37 0.61 0.29 -0.55 8.29 8.27 2c8fG1 TYR 223 HA 0.07 0.20 0.96 -0.75 4.56 5.03 2c8fG1 TYR 223 HB2 0.18 -0.04 -0.20 -0.04 3.06 2.96 2c8fG1 TYR 223 HB3 0.12 -0.03 -0.18 -0.04 2.98 2.84 2c8fG1 TYR 223 HD2 0.04 -0.02 -0.35 -0.04 7.15 6.78 2c8fG1 TYR 223 HE2 0.09 -0.00 -0.18 -0.04 6.85 6.72 2c8fG1 HIS 224 H 0.28 0.48 0.26 -0.55 8.41 8.89 2c8fG1 HIS 224 HA 0.07 0.28 0.95 -0.75 4.63 5.18 2c8fG1 HIS 224 HB2 0.05 0.01 0.00 -0.04 3.26 3.28 2c8fG1 HIS 224 HB3 0.06 -0.08 0.16 -0.04 3.20 3.29 2c8fG1 HIS 224 HD2 0.03 -0.11 -0.49 -0.04 6.97 6.35 2c8fG1 HIS 224 HE1 0.02 0.06 -0.24 -0.04 7.75 7.54 2c8fG1 ILE 225 H -0.23 0.64 0.24 -0.55 8.25 8.35 2c8fG1 ILE 225 HA 0.03 0.04 0.71 -0.75 4.18 4.20 2c8fG1 ILE 225 HB -0.04 0.14 0.21 -0.04 1.89 2.15 2c8fG1 ILE 225 HG12 0.05 0.17 -0.03 -0.04 1.49 1.64 2c8fG1 ILE 225 HG13 0.06 -0.03 -0.14 -0.04 1.21 1.06 2c8fG1 ILE 225 HG23 0.01 -0.04 -0.21 -0.04 0.93 0.65 2c8fG1 ILE 225 HD13 0.25 -0.04 -0.28 -0.04 0.88 0.77 2c8fG1 ASP 226 H 0.07 0.45 0.41 -0.55 8.40 8.78 2c8fG1 ASP 226 HA 0.20 0.06 0.56 -0.75 4.63 4.71 2c8fG1 ASP 226 HB2 0.03 0.11 0.10 -0.04 2.71 2.90 2c8fG1 ASP 226 HB3 0.06 -0.05 0.08 -0.04 2.70 2.75 2c8fG1 ASP 227 H 0.01 0.14 -0.05 -0.55 8.40 7.95 2c8fG1 ASP 227 HA 0.03 0.10 0.79 -0.75 4.63 4.80 2c8fG1 ASP 227 HB2 0.02 0.14 -0.45 -0.04 2.71 2.37 2c8fG1 ASP 227 HB3 -0.00 -0.05 -0.02 -0.04 2.70 2.58 2c8fG1 MET 228 H 0.05 0.25 0.14 -0.55 8.47 8.36 2c8fG1 MET 228 HA 0.06 0.33 0.96 -0.75 4.52 5.13 2c8fG1 MET 228 HB2 0.09 -0.01 0.12 -0.04 2.15 2.31 2c8fG1 MET 228 HB3 0.24 -0.00 -0.07 -0.04 2.03 2.15 2c8fG1 MET 228 HG2 0.05 0.03 -0.15 -0.04 2.63 2.52 2c8fG1 MET 228 HG3 0.05 -0.11 -0.39 -0.04 2.56 2.07 2c8fG1 MET 228 HE3 0.15 -0.00 -0.26 -0.04 2.10 1.95 2c8fG1 ARG 229 H 0.07 0.49 0.27 -0.55 8.46 8.74 2c8fG1 ARG 229 HA 0.26 0.13 0.88 -0.75 4.34 4.87 2c8fG1 ARG 229 HB2 0.05 0.10 0.06 -0.04 1.90 2.07 2c8fG1 ARG 229 HB3 0.08 0.03 -0.02 -0.04 1.80 1.84 2c8fG1 ARG 229 HG2 0.03 -0.02 -0.12 -0.04 1.67 1.52 2c8fG1 ARG 229 HG3 0.01 -0.01 -0.01 -0.04 1.67 1.62 2c8fG1 ARG 229 HD2 0.01 -0.01 -0.05 -0.04 3.22 3.13 2c8fG1 ARG 229 HD3 0.02 0.00 -0.05 -0.04 3.22 3.15 2c8fG1 LEU 230 H 0.01 0.11 0.15 -0.55 8.37 8.09 2c8fG1 LEU 230 HA -0.28 0.18 0.84 -0.75 4.35 4.34 2c8fG1 LEU 230 HB2 -0.09 -0.03 0.11 -0.04 1.64 1.59 2c8fG1 LEU 230 HB3 -0.16 0.07 0.09 -0.04 1.64 1.60 2c8fG1 LEU 230 HG -0.71 -0.04 0.03 -0.04 1.64 0.88 2c8fG1 LEU 230 HD13 -0.08 -0.00 0.02 -0.04 0.93 0.83 2c8fG1 LEU 230 HD23 -0.66 0.00 -0.07 -0.04 0.89 0.12 2c8fG1 SER 231 H -0.11 0.50 0.33 -0.55 8.46 8.63 2c8fG1 SER 231 HA -0.04 0.16 0.66 -0.75 4.49 4.52 2c8fG1 SER 231 HB2 -0.04 -0.03 0.13 -0.04 3.95 3.98 2c8fG1 SER 231 HB3 -0.05 0.16 0.10 -0.04 3.93 4.10 2c8fG1 SER 232 H -0.02 0.18 0.15 -0.55 8.46 8.22 2c8fG1 SER 232 HA -0.02 0.13 0.20 -0.75 4.49 4.05 2c8fG1 SER 232 HB2 -0.01 0.05 0.05 -0.04 3.95 4.00 2c8fG1 SER 232 HB3 -0.01 0.04 0.12 -0.04 3.93 4.04 2c8fG1 ASP 233 H -0.03 -0.01 -0.24 -0.55 8.40 7.58 2c8fG1 ASP 233 HA -0.02 0.24 0.79 -0.75 4.63 4.89 2c8fG1 ASP 233 HB2 -0.02 0.06 0.13 -0.04 2.71 2.85 2c8fG1 ASP 233 HB3 -0.02 0.02 0.04 -0.04 2.70 2.70 2c8fG1 GLY 234 H -0.05 0.53 -0.25 -0.55 8.43 8.12 2c8fG1 GLY 234 HA2 -0.08 0.07 0.32 -0.51 4.01 3.82 2c8fG1 GLY 234 HA3 -0.04 0.11 0.43 -0.51 4.01 4.00 2c8fG1 LYS 235 H -0.05 -0.05 -0.19 -0.55 8.42 7.57 2c8fG1 LYS 235 HA -0.04 0.22 0.44 -0.75 4.32 4.19 2c8fG1 LYS 235 HB2 -0.03 -0.14 -0.07 -0.04 1.87 1.59 2c8fG1 LYS 235 HB3 -0.03 0.05 -0.03 -0.04 1.79 1.75 2c8fG1 LYS 235 HG2 -0.01 0.06 -0.09 -0.04 1.46 1.38 2c8fG1 LYS 235 HG3 -0.02 0.00 -0.27 -0.04 1.46 1.14 2c8fG1 LYS 235 HD2 -0.02 0.04 -0.06 -0.04 1.69 1.61 2c8fG1 LYS 235 HD3 -0.02 -0.04 -0.05 -0.04 1.68 1.52 2c8fG1 LYS 235 HE2 -0.01 0.02 -0.05 -0.04 2.99 2.91 2c8fG1 LYS 235 HE3 -0.01 0.02 -0.02 -0.04 2.99 2.94 2c8fG1 GLN 236 H -0.08 -0.04 0.03 -0.55 8.47 7.83 2c8fG1 GLN 236 HA -0.06 0.45 1.01 -0.75 4.36 5.00 2c8fG1 GLN 236 HB2 -0.05 -0.25 0.01 -0.04 2.15 1.82 2c8fG1 GLN 236 HB3 -0.05 0.07 -0.07 -0.04 2.02 1.93 2c8fG1 GLN 236 HG2 -0.03 0.30 0.07 -0.04 2.40 2.70 2c8fG1 GLN 236 HG3 -0.03 -0.11 -0.38 -0.04 2.39 1.82 2c8fG1 GLN 236 HE21 -0.02 0.02 0.07 -0.04 6.97 7.00 2c8fG1 GLN 236 HE22 -0.02 0.44 0.00 -0.04 7.69 8.08 2c8fG1 ILE 237 H -0.08 0.58 0.33 -0.55 8.25 8.53 2c8fG1 ILE 237 HA -0.16 0.16 0.85 -0.75 4.18 4.28 2c8fG1 ILE 237 HB -0.05 -0.04 0.06 -0.04 1.89 1.82 2c8fG1 ILE 237 HG12 -0.31 -0.00 -0.12 -0.04 1.49 1.01 2c8fG1 ILE 237 HG13 -0.10 0.03 -0.08 -0.04 1.21 1.01 2c8fG1 ILE 237 HG23 0.06 0.00 -0.20 -0.04 0.93 0.75 2c8fG1 ILE 237 HD13 0.07 -0.00 -0.11 -0.04 0.88 0.80 2c8fG1 ILE 238 H -0.04 0.59 0.26 -0.55 8.25 8.51 2c8fG1 ILE 238 HA -0.06 0.20 0.90 -0.75 4.18 4.47 2c8fG1 ILE 238 HB -0.02 -0.01 0.15 -0.04 1.89 1.97 2c8fG1 ILE 238 HG12 -0.05 0.01 -0.23 -0.04 1.49 1.19 2c8fG1 ILE 238 HG13 -0.03 -0.04 -0.11 -0.04 1.21 1.00 2c8fG1 ILE 238 HG23 -0.03 -0.01 -0.19 -0.04 0.93 0.67 2c8fG1 ILE 238 HD13 -0.03 0.02 -0.20 -0.04 0.88 0.63 2c8fG1 ILE 239 H -0.12 0.88 0.44 -0.55 8.25 8.91 2c8fG1 ILE 239 HA -0.05 0.31 1.07 -0.75 4.18 4.75 2c8fG1 ILE 239 HB -0.22 -0.04 0.08 -0.04 1.89 1.67 2c8fG1 ILE 239 HG12 -0.01 0.01 -0.21 -0.04 1.49 1.24 2c8fG1 ILE 239 HG13 -0.08 0.01 -0.25 -0.04 1.21 0.85 2c8fG1 ILE 239 HG23 -0.09 -0.00 -0.16 -0.04 0.93 0.64 2c8fG1 ILE 239 HD13 -0.05 -0.00 -0.18 -0.04 0.88 0.61 2c8fG1 THR 240 H -0.07 0.62 0.32 -0.55 8.28 8.59 2c8fG1 THR 240 HA -0.20 0.20 1.01 -0.75 4.39 4.64 2c8fG1 THR 240 HB -0.05 -0.03 0.19 -0.04 4.32 4.39 2c8fG1 THR 240 HG23 -0.09 0.01 -0.06 -0.04 1.22 1.03 2c8fG1 ALA 241 H -0.29 0.60 0.27 -0.55 8.40 8.44 2c8fG1 ALA 241 HA -0.00 0.22 1.12 -0.75 4.34 4.93 2c8fG1 ALA 241 HB3 -0.18 -0.03 -0.19 -0.04 1.41 0.97 2c8fG1 THR 242 H 0.15 0.47 0.35 -0.55 8.28 8.70 2c8fG1 THR 242 HA 0.01 0.14 1.03 -0.75 4.39 4.82 2c8fG1 THR 242 HB 0.10 -0.06 0.21 -0.04 4.32 4.54 2c8fG1 THR 242 HG23 0.05 0.04 -0.04 -0.04 1.22 1.22 2c8fG1 MET 243 H 0.08 0.49 0.29 -0.55 8.47 8.79 2c8fG1 MET 243 HA 0.16 -0.00 0.53 -0.75 4.52 4.45 2c8fG1 MET 243 HB2 0.05 -0.02 0.04 -0.04 2.15 2.17 2c8fG1 MET 243 HB3 0.05 -0.03 0.19 -0.04 2.03 2.19 2c8fG1 MET 243 HG2 -0.03 0.02 -0.05 -0.04 2.63 2.53 2c8fG1 MET 243 HG3 0.01 0.00 -0.03 -0.04 2.56 2.50 2c8fG1 MET 243 HE3 0.12 0.02 -0.29 -0.04 2.10 1.91 2c8fG1 MET 244 H 0.08 0.69 0.41 -0.55 8.47 9.10 2c8fG1 MET 244 HA 0.05 0.21 0.73 -0.75 4.52 4.75