============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. PHE 4 1.000 36.254 -38.758 74.088 -99.200 -91.000 TRP 7 1.040 37.304 -29.183 79.032 -99.200 -91.000 TRP6 7 1.020 36.829 -26.916 79.487 -99.200 -91.000 HIS 16 0.900 25.048 -19.990 76.215 -99.200 -91.000 TRP 23 1.040 18.877 -15.337 82.423 -99.200 -91.000 TRP6 23 1.020 20.058 -13.442 83.175 -99.200 -91.000 PHE 57 1.000 16.614 -15.638 86.299 -99.200 -91.000 HIS 63 0.900 16.007 -32.562 88.015 -99.200 -91.000 TYR 64 0.840 18.567 -29.252 79.978 -99.200 -91.000 PHE 70 1.000 20.558 -38.338 69.696 -99.200 -91.000 PHE 80 1.000 35.396 -38.251 82.770 -99.200 -91.000 HIS 96 0.900 23.819 -32.884 87.981 -99.200 -91.000 PHE 124 1.000 44.518 -28.503 82.641 -99.200 -91.000 HIS 148 0.900 27.876 -4.299 102.607 -99.200 -91.000 TRP 156 1.040 37.329 -17.637 98.327 -99.200 -91.000 TRP6 156 1.020 38.916 -16.703 96.861 -99.200 -91.000 PHE 171 1.000 48.002 -32.834 92.772 -99.200 -91.000 PHE 179 1.000 45.360 -18.310 93.320 -99.200 -91.000 HIS 192 0.900 30.479 -13.158 91.788 -99.200 -91.000 PHE 194 1.000 26.483 -11.096 92.577 -99.200 -91.000 PHE 200 1.000 21.396 -7.996 85.289 -99.200 -91.000 PHE 201 1.000 23.809 -6.945 94.243 -99.200 -91.000 TYR 202 0.840 28.156 -5.144 86.409 -99.200 -91.000 PHE 209 1.000 39.585 -14.275 92.238 -99.200 -91.000 TRP 213 1.040 48.405 -18.733 97.401 -99.200 -91.000 TRP6 213 1.020 47.449 -19.118 99.531 -99.200 -91.000 PHE 214 1.000 56.680 -19.411 97.348 -99.200 -91.000 TRP 232 1.040 23.702 -13.734 80.095 -99.200 -91.000 TRP6 232 1.020 23.193 -15.883 79.231 -99.200 -91.000 TYR 240 0.840 17.714 -5.791 82.544 -99.200 -91.000 PHE 273 1.000 47.618 -20.365 87.733 -99.200 -91.000 TRP 284 1.040 25.098 -22.893 80.102 -99.200 -91.000 TRP6 284 1.020 24.472 -21.596 81.983 -99.200 -91.000 TYR 289 0.840 31.839 -32.912 85.916 -99.200 -91.000 TYR 291 0.840 25.314 -35.661 83.864 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1gc1G1 THR 90 HA -0.01 -0.04 0.07 -0.75 4.39 3.66 1gc1G1 THR 90 HB -0.01 -0.02 0.10 -0.04 4.32 4.34 1gc1G1 THR 90 HG23 -0.01 -0.01 -0.10 -0.04 1.22 1.07 1gc1G1 GLU 91 H -0.02 0.26 0.16 -0.55 8.60 8.45 1gc1G1 GLU 91 HA -0.01 0.15 0.43 -0.75 4.29 4.10 1gc1G1 GLU 91 HB2 -0.00 -0.08 0.01 -0.04 2.09 1.98 1gc1G1 GLU 91 HB3 0.01 0.12 -0.04 -0.04 1.99 2.03 1gc1G1 GLU 91 HG2 0.01 -0.07 0.01 -0.04 2.34 2.25 1gc1G1 GLU 91 HG3 0.02 -0.01 0.01 -0.04 2.34 2.33 1gc1G1 ASN 92 H -0.02 0.34 0.04 -0.55 8.53 8.35 1gc1G1 ASN 92 HA 0.07 0.21 0.88 -0.75 4.76 5.17 1gc1G1 ASN 92 HB2 0.01 0.02 -0.28 -0.04 2.88 2.59 1gc1G1 ASN 92 HB3 0.02 -0.01 -0.16 -0.04 2.79 2.60 1gc1G1 ASN 92 HD21 0.05 -0.07 -0.02 -0.04 7.03 6.95 1gc1G1 ASN 92 HD22 0.03 0.15 -0.14 -0.04 7.74 7.74 1gc1G1 PHE 93 H 0.19 0.17 0.14 -0.55 8.34 8.30 1gc1G1 PHE 93 HA 0.08 0.23 1.11 -0.75 4.62 5.29 1gc1G1 PHE 93 HB2 0.05 0.01 -0.09 -0.04 3.15 3.09 1gc1G1 PHE 93 HB3 0.05 -0.03 0.07 -0.04 3.06 3.11 1gc1G1 PHE 93 HD2 0.08 -0.02 -0.18 -0.04 7.28 7.12 1gc1G1 PHE 93 HE2 0.09 -0.09 -0.05 -0.04 7.38 7.29 1gc1G1 PHE 93 HZ 0.09 -0.09 -0.04 -0.04 7.32 7.24 1gc1G1 ASN 94 H -0.62 0.46 0.33 -0.55 8.53 8.16 1gc1G1 ASN 94 HA -0.27 0.10 0.76 -0.75 4.76 4.60 1gc1G1 ASN 94 HB2 0.33 0.02 0.01 -0.04 2.88 3.21 1gc1G1 ASN 94 HB3 0.04 0.15 0.12 -0.04 2.79 3.05 1gc1G1 ASN 94 HD21 -0.04 0.03 -0.34 -0.04 7.03 6.65 1gc1G1 ASN 94 HD22 -0.04 -0.17 -0.56 -0.04 7.74 6.93 1gc1G1 MET 95 H -0.16 0.31 0.25 -0.55 8.47 8.32 1gc1G1 MET 95 HA -0.09 0.17 0.28 -0.75 4.52 4.13 1gc1G1 MET 95 HB2 0.17 -0.07 0.19 -0.04 2.15 2.39 1gc1G1 MET 95 HB3 -0.23 0.16 -0.31 -0.04 2.03 1.61 1gc1G1 MET 95 HG2 0.17 0.03 -0.17 -0.04 2.63 2.62 1gc1G1 MET 95 HG3 0.09 -0.18 -0.46 -0.04 2.56 1.97 1gc1G1 MET 95 HE3 0.24 -0.08 0.04 -0.04 2.10 2.25 1gc1G1 TRP 96 H 0.32 0.17 0.06 -0.55 7.97 7.97 1gc1G1 TRP 96 HA -0.02 0.12 0.34 -0.75 4.62 4.30 1gc1G1 TRP 96 HB2 -0.02 0.01 0.15 -0.04 3.23 3.34 1gc1G1 TRP 96 HB3 -0.02 -0.00 0.24 -0.04 3.23 3.40 1gc1G1 TRP 96 HD1 -0.07 -0.05 -0.05 -0.04 7.22 7.01 1gc1G1 TRP 96 HE1 -0.11 -0.02 -0.16 -0.04 10.20 9.86 1gc1G1 TRP 96 HE3 -0.05 0.01 0.01 -0.04 7.59 7.52 1gc1G1 TRP 96 HZ2 -0.13 0.12 -0.62 -0.04 7.44 6.76 1gc1G1 TRP 96 HZ3 -0.08 -0.04 -0.03 -0.04 7.13 6.94 1gc1G1 TRP 96 HH2 -0.10 0.03 -0.12 -0.04 7.19 6.96 1gc1G1 LYS 97 H 0.03 0.59 -0.52 -0.55 8.42 7.97 1gc1G1 LYS 97 HA 0.10 0.16 0.83 -0.75 4.32 4.67 1gc1G1 LYS 97 HB2 0.12 0.02 -0.10 -0.04 1.87 1.87 1gc1G1 LYS 97 HB3 0.08 0.03 0.05 -0.04 1.79 1.91 1gc1G1 LYS 97 HG2 0.09 0.05 -0.02 -0.04 1.46 1.54 1gc1G1 LYS 97 HG3 0.06 -0.10 -0.02 -0.04 1.46 1.36 1gc1G1 LYS 97 HD2 0.06 -0.03 -0.07 -0.04 1.69 1.60 1gc1G1 LYS 97 HD3 0.07 -0.01 -0.08 -0.04 1.68 1.61 1gc1G1 LYS 97 HE2 0.09 0.03 -0.02 -0.04 2.99 3.05 1gc1G1 LYS 97 HE3 0.09 0.02 -0.03 -0.04 2.99 3.03 1gc1G1 ASN 98 H 0.03 0.22 0.13 -0.55 8.53 8.36 1gc1G1 ASN 98 HA 0.00 0.11 0.56 -0.75 4.76 4.67 1gc1G1 ASN 98 HB2 0.00 -0.42 0.13 -0.04 2.88 2.56 1gc1G1 ASN 98 HB3 0.02 0.21 -0.25 -0.04 2.79 2.73 1gc1G1 ASN 98 HD21 0.01 0.11 -0.04 -0.04 7.03 7.07 1gc1G1 ASN 98 HD22 0.01 -0.07 -0.06 -0.04 7.74 7.58 1gc1G1 ASP 99 H -0.02 0.04 -0.14 -0.55 8.40 7.74 1gc1G1 ASP 99 HA -0.01 0.03 0.30 -0.75 4.63 4.19 1gc1G1 ASP 99 HB2 0.05 0.41 0.16 -0.04 2.71 3.29 1gc1G1 ASP 99 HB3 0.02 -0.16 -0.02 -0.04 2.70 2.51 1gc1G1 MET 100 H -0.04 0.17 0.01 -0.55 8.47 8.06 1gc1G1 MET 100 HA -0.21 0.19 0.83 -0.75 4.52 4.58 1gc1G1 MET 100 HB2 -0.23 0.09 -0.06 -0.04 2.15 1.91 1gc1G1 MET 100 HB3 -0.66 -0.08 0.13 -0.04 2.03 1.38 1gc1G1 MET 100 HG2 -0.20 -0.00 -0.47 -0.04 2.63 1.91 1gc1G1 MET 100 HG3 -0.44 0.05 -0.10 -0.04 2.56 2.03 1gc1G1 MET 100 HE3 -0.13 0.03 -0.05 -0.04 2.10 1.92 1gc1G1 VAL 101 H -0.00 0.02 0.05 -0.55 8.24 7.75 1gc1G1 VAL 101 HA 0.20 0.11 0.40 -0.75 4.13 4.08 1gc1G1 VAL 101 HB 0.04 0.02 0.20 -0.04 2.12 2.34 1gc1G1 VAL 101 HG13 0.06 0.03 -0.03 -0.04 0.97 1.00 1gc1G1 VAL 101 HG23 0.02 0.01 -0.08 -0.04 0.95 0.86 1gc1G1 GLU 102 H 0.04 0.08 -0.07 -0.55 8.60 8.10 1gc1G1 GLU 102 HA 0.14 0.11 0.40 -0.75 4.29 4.19 1gc1G1 GLU 102 HB2 0.02 -0.06 0.04 -0.04 2.09 2.06 1gc1G1 GLU 102 HB3 0.05 0.09 -0.08 -0.04 1.99 2.00 1gc1G1 GLU 102 HG2 0.04 0.06 -0.01 -0.04 2.34 2.39 1gc1G1 GLU 102 HG3 0.07 0.04 0.02 -0.04 2.34 2.43 1gc1G1 GLN 103 H -0.04 -0.08 -0.40 -0.55 8.47 7.41 1gc1G1 GLN 103 HA -0.03 0.11 0.38 -0.75 4.36 4.06 1gc1G1 GLN 103 HB2 -0.17 -0.09 0.15 -0.04 2.15 1.99 1gc1G1 GLN 103 HB3 -0.36 0.05 0.05 -0.04 2.02 1.72 1gc1G1 GLN 103 HG2 -0.09 -0.01 0.01 -0.04 2.40 2.27 1gc1G1 GLN 103 HG3 -0.16 0.08 0.03 -0.04 2.39 2.30 1gc1G1 GLN 103 HE21 0.08 0.03 -0.08 -0.04 6.97 6.95 1gc1G1 GLN 103 HE22 -0.20 -0.00 -0.09 -0.04 7.69 7.35 1gc1G1 MET 104 H -0.26 0.64 0.10 -0.55 8.47 8.40 1gc1G1 MET 104 HA -0.14 0.03 0.40 -0.75 4.52 4.06 1gc1G1 MET 104 HB2 -0.36 0.01 0.14 -0.04 2.15 1.90 1gc1G1 MET 104 HB3 -0.37 -0.01 0.14 -0.04 2.03 1.74 1gc1G1 MET 104 HG2 -0.88 -0.04 -0.12 -0.04 2.63 1.55 1gc1G1 MET 104 HG3 -0.02 0.02 0.00 -0.04 2.56 2.52 1gc1G1 MET 104 HE3 -0.32 0.02 -0.11 -0.04 2.10 1.65 1gc1G1 HIS 105 H 0.20 0.55 -0.18 -0.55 8.41 8.43 1gc1G1 HIS 105 HA 0.68 -0.03 0.29 -0.75 4.63 4.82 1gc1G1 HIS 105 HB2 0.52 0.19 0.18 -0.04 3.26 4.11 1gc1G1 HIS 105 HB3 0.24 0.11 0.12 -0.04 3.20 3.63 1gc1G1 HIS 105 HD2 0.17 0.04 -0.01 -0.04 6.97 7.13 1gc1G1 HIS 105 HE1 0.49 -0.06 0.01 -0.04 7.75 8.14 1gc1G1 GLU 106 H 0.14 0.45 -0.31 -0.55 8.60 8.34 1gc1G1 GLU 106 HA 0.02 -0.02 0.40 -0.75 4.29 3.93 1gc1G1 GLU 106 HB2 0.04 0.15 0.16 -0.04 2.09 2.41 1gc1G1 GLU 106 HB3 0.03 -0.05 0.07 -0.04 1.99 2.00 1gc1G1 GLU 106 HG2 0.11 0.17 0.11 -0.04 2.34 2.69 1gc1G1 GLU 106 HG3 0.05 -0.04 0.03 -0.04 2.34 2.33 1gc1G1 ASP 107 H 0.04 0.45 -0.11 -0.55 8.40 8.23 1gc1G1 ASP 107 HA 0.06 0.06 0.54 -0.75 4.63 4.53 1gc1G1 ASP 107 HB2 0.09 0.04 0.23 -0.04 2.71 3.03 1gc1G1 ASP 107 HB3 0.09 -0.01 -0.01 -0.04 2.70 2.73 1gc1G1 ILE 108 H 0.01 0.78 0.06 -0.55 8.25 8.55 1gc1G1 ILE 108 HA 0.21 0.04 0.40 -0.75 4.18 4.09 1gc1G1 ILE 108 HB 0.24 0.06 0.06 -0.04 1.89 2.21 1gc1G1 ILE 108 HG12 -0.41 0.21 -0.07 -0.04 1.49 1.18 1gc1G1 ILE 108 HG13 -1.02 -0.05 -0.09 -0.04 1.21 0.02 1gc1G1 ILE 108 HG23 0.31 -0.01 -0.08 -0.04 0.93 1.11 1gc1G1 ILE 108 HD13 -0.09 -0.01 -0.05 -0.04 0.88 0.69 1gc1G1 ILE 109 H 0.13 0.72 -0.02 -0.55 8.25 8.53 1gc1G1 ILE 109 HA -0.08 -0.02 0.44 -0.75 4.18 3.76 1gc1G1 ILE 109 HB -0.08 0.08 0.13 -0.04 1.89 1.99 1gc1G1 ILE 109 HG12 -0.85 -0.12 0.06 -0.04 1.49 0.54 1gc1G1 ILE 109 HG13 -0.22 0.29 0.10 -0.04 1.21 1.34 1gc1G1 ILE 109 HG23 -0.25 -0.02 -0.08 -0.04 0.93 0.55 1gc1G1 ILE 109 HD13 -0.38 -0.01 0.01 -0.04 0.88 0.45 1gc1G1 SER 110 H 0.07 0.42 -0.43 -0.55 8.46 7.98 1gc1G1 SER 110 HA 0.05 0.00 0.42 -0.75 4.49 4.22 1gc1G1 SER 110 HB2 0.06 0.12 0.15 -0.04 3.95 4.24 1gc1G1 SER 110 HB3 0.04 -0.08 0.13 -0.04 3.93 3.99 1gc1G1 LEU 111 H 0.22 0.19 -0.55 -0.55 8.37 7.69 1gc1G1 LEU 111 HA 0.14 0.09 0.65 -0.75 4.35 4.48 1gc1G1 LEU 111 HB2 0.19 0.17 0.09 -0.04 1.64 2.05 1gc1G1 LEU 111 HB3 0.41 0.01 0.15 -0.04 1.64 2.16 1gc1G1 LEU 111 HG 0.13 -0.01 0.06 -0.04 1.64 1.78 1gc1G1 LEU 111 HD13 0.08 -0.01 -0.02 -0.04 0.93 0.94 1gc1G1 LEU 111 HD23 0.30 -0.01 -0.08 -0.04 0.89 1.07 1gc1G1 TRP 112 H 0.56 0.64 0.08 -0.55 7.97 8.71 1gc1G1 TRP 112 HA -0.11 -0.04 0.35 -0.75 4.62 4.08 1gc1G1 TRP 112 HB2 0.14 0.12 0.22 -0.04 3.23 3.67 1gc1G1 TRP 112 HB3 0.06 0.01 -0.02 -0.04 3.23 3.23 1gc1G1 TRP 112 HD1 0.25 0.06 0.06 -0.04 7.22 7.56 1gc1G1 TRP 112 HE1 0.33 0.03 -0.02 -0.04 10.20 10.49 1gc1G1 TRP 112 HE3 0.24 0.05 -0.03 -0.04 7.59 7.81 1gc1G1 TRP 112 HZ2 0.09 -0.03 0.02 -0.04 7.44 7.48 1gc1G1 TRP 112 HZ3 0.63 0.01 -0.06 -0.04 7.13 7.67 1gc1G1 TRP 112 HH2 0.16 0.00 -0.08 -0.04 7.19 7.23 1gc1G1 ASP 113 H 0.21 0.39 -0.21 -0.55 8.40 8.25 1gc1G1 ASP 113 HA 0.11 0.03 0.22 -0.75 4.63 4.23 1gc1G1 ASP 113 HB2 0.07 0.05 0.02 -0.04 2.71 2.80 1gc1G1 ASP 113 HB3 0.04 -0.02 -0.08 -0.04 2.70 2.60 1gc1G1 GLN 114 H 0.09 0.24 -0.40 -0.55 8.47 7.86 1gc1G1 GLN 114 HA 0.04 -0.00 0.34 -0.75 4.36 3.98 1gc1G1 GLN 114 HB2 0.04 -0.08 0.11 -0.04 2.15 2.18 1gc1G1 GLN 114 HB3 0.05 0.01 0.12 -0.04 2.02 2.17 1gc1G1 GLN 114 HG2 0.09 0.27 0.18 -0.04 2.40 2.90 1gc1G1 GLN 114 HG3 0.06 -0.02 -0.25 -0.04 2.39 2.15 1gc1G1 GLN 114 HE21 0.04 -0.08 0.02 -0.04 6.97 6.91 1gc1G1 GLN 114 HE22 0.05 0.11 0.08 -0.04 7.69 7.89 1gc1G1 SER 115 H 0.04 0.31 -0.52 -0.55 8.46 7.74 1gc1G1 SER 115 HA 0.03 0.11 0.84 -0.75 4.49 4.71 1gc1G1 SER 115 HB2 0.10 0.02 0.02 -0.04 3.95 4.05 1gc1G1 SER 115 HB3 -0.15 -0.12 0.19 -0.04 3.93 3.81 1gc1G1 LEU 116 H -0.26 0.12 0.12 -0.55 8.37 7.81 1gc1G1 LEU 116 HA 0.01 0.07 0.45 -0.75 4.35 4.13 1gc1G1 LEU 116 HB2 -0.34 -0.04 0.18 -0.04 1.64 1.39 1gc1G1 LEU 116 HB3 0.06 0.01 0.05 -0.04 1.64 1.72 1gc1G1 LEU 116 HG -0.54 -0.08 -0.01 -0.04 1.64 0.97 1gc1G1 LEU 116 HD13 -1.41 -0.03 -0.00 -0.04 0.93 -0.55 1gc1G1 LEU 116 HD23 -0.18 0.00 -0.00 -0.04 0.89 0.67 1gc1G1 LYS 117 H 0.07 0.36 0.30 -0.55 8.42 8.59 1gc1G1 LYS 117 HA 0.06 0.08 0.59 -0.75 4.32 4.30 1gc1G1 LYS 117 HB2 0.03 0.03 0.21 -0.04 1.87 2.10 1gc1G1 LYS 117 HB3 0.00 -0.03 -0.01 -0.04 1.79 1.71 1gc1G1 LYS 117 HG2 0.02 -0.11 -0.01 -0.04 1.46 1.32 1gc1G1 LYS 117 HG3 0.04 0.24 -0.13 -0.04 1.46 1.56 1gc1G1 LYS 117 HD2 0.01 -0.04 0.02 -0.04 1.69 1.64 1gc1G1 LYS 117 HD3 0.01 -0.12 -0.01 -0.04 1.68 1.52 1gc1G1 LYS 117 HE2 0.02 -0.14 0.04 -0.04 2.99 2.87 1gc1G1 LYS 117 HE3 0.02 0.08 0.00 -0.04 2.99 3.06 1gc1G1 PRO 118 HA -0.43 0.21 0.82 -0.51 4.44 4.53 1gc1G1 PRO 118 HB2 -0.68 -0.27 0.10 -0.04 2.28 1.40 1gc1G1 PRO 118 HB3 -1.76 0.08 -0.10 -0.04 2.02 0.20 1gc1G1 PRO 118 HG2 -0.18 -0.12 -0.07 -0.04 2.03 1.63 1gc1G1 PRO 118 HG3 -0.14 -0.01 -0.00 -0.04 2.03 1.84 1gc1G1 PRO 118 HD2 -0.04 0.03 0.13 -0.04 3.68 3.76 1gc1G1 PRO 118 HD3 0.05 0.44 0.24 -0.04 3.65 4.34 1gc1G1 CYS 119 H -0.31 0.11 -0.01 -0.55 8.50 7.75 1gc1G1 CYS 119 HA -0.09 0.03 0.84 -0.75 4.58 4.60 1gc1G1 CYS 119 HB2 -0.12 0.02 0.28 -0.04 2.97 3.10 1gc1G1 CYS 119 HB3 -0.07 -0.01 0.29 -0.04 2.97 3.13 1gc1G1 VAL 120 H -0.09 0.10 0.12 -0.55 8.24 7.82 1gc1G1 VAL 120 HA -0.09 0.11 0.73 -0.75 4.13 4.12 1gc1G1 VAL 120 HB -0.05 -0.03 -0.01 -0.04 2.12 1.99 1gc1G1 VAL 120 HG13 -0.06 -0.02 0.00 -0.04 0.97 0.86 1gc1G1 VAL 120 HG23 -0.07 0.01 0.02 -0.04 0.95 0.88 1gc1G1 LYS 121 H -0.05 0.26 0.23 -0.55 8.42 8.30 1gc1G1 LYS 121 HA -0.04 0.27 0.79 -0.75 4.32 4.59 1gc1G1 LYS 121 HB2 -0.04 0.07 -0.28 -0.04 1.87 1.58 1gc1G1 LYS 121 HB3 -0.04 -0.10 0.15 -0.04 1.79 1.76 1gc1G1 LYS 121 HG2 -0.03 -0.00 -0.14 -0.04 1.46 1.25 1gc1G1 LYS 121 HG3 -0.03 -0.00 0.06 -0.04 1.46 1.45 1gc1G1 LYS 121 HD2 -0.02 -0.01 -0.06 -0.04 1.69 1.56 1gc1G1 LYS 121 HD3 -0.03 0.02 -0.05 -0.04 1.68 1.57 1gc1G1 LYS 121 HE2 -0.03 -0.03 -0.06 -0.04 2.99 2.83 1gc1G1 LYS 121 HE3 -0.02 -0.02 -0.09 -0.04 2.99 2.82 1gc1G1 LEU 122 H -0.03 0.60 0.26 -0.55 8.37 8.65 1gc1G1 LEU 122 HA -0.03 0.15 1.09 -0.75 4.35 4.80 1gc1G1 LEU 122 HB2 -0.04 0.06 -0.06 -0.04 1.64 1.56 1gc1G1 LEU 122 HB3 -0.05 -0.06 -0.08 -0.04 1.64 1.41 1gc1G1 LEU 122 HG -0.03 -0.03 0.02 -0.04 1.64 1.56 1gc1G1 LEU 122 HD13 -0.04 -0.00 -0.11 -0.04 0.93 0.74 1gc1G1 LEU 122 HD23 -0.04 0.01 -0.06 -0.04 0.89 0.76 1gc1G1 THR 123 H -0.02 0.30 0.20 -0.55 8.28 8.20 1gc1G1 THR 123 HA -0.02 0.22 0.99 -0.75 4.39 4.83 1gc1G1 THR 123 HB -0.01 -0.00 -0.08 -0.04 4.32 4.19 1gc1G1 THR 123 HG23 -0.01 0.01 -0.07 -0.04 1.22 1.10 1gc1G1 PRO 124 HA -0.01 0.07 0.69 -0.51 4.44 4.67 1gc1G1 PRO 124 HB2 -0.01 0.05 -0.01 -0.04 2.28 2.27 1gc1G1 PRO 124 HB3 -0.01 0.02 0.02 -0.04 2.02 2.00 1gc1G1 PRO 124 HG2 -0.01 0.04 -0.22 -0.04 2.03 1.80 1gc1G1 PRO 124 HG3 -0.01 -0.04 -0.03 -0.04 2.03 1.91 1gc1G1 PRO 124 HD2 -0.02 0.08 0.23 -0.04 3.68 3.93 1gc1G1 PRO 124 HD3 -0.02 0.23 0.04 -0.04 3.65 3.86 1gc1G1 LEU 125 H -0.01 0.10 0.11 -0.55 8.37 8.03 1gc1G1 LEU 125 HA -0.01 0.23 0.88 -0.75 4.35 4.71 1gc1G1 LEU 125 HB2 -0.00 -0.02 0.12 -0.04 1.64 1.70 1gc1G1 LEU 125 HB3 -0.00 0.08 -0.02 -0.04 1.64 1.66 1gc1G1 LEU 125 HG -0.00 -0.00 -0.00 -0.04 1.64 1.59 1gc1G1 LEU 125 HD13 -0.01 -0.05 0.04 -0.04 0.93 0.87 1gc1G1 LEU 125 HD23 -0.01 0.07 -0.30 -0.04 0.89 0.61 1gc1G1 CYS 126 H -0.01 0.07 0.16 -0.55 8.50 8.17 1gc1G1 CYS 126 HA -0.00 0.04 0.36 -0.75 4.58 4.22 1gc1G1 CYS 126 HB2 -0.00 0.01 0.02 -0.04 2.97 2.95 1gc1G1 CYS 126 HB3 -0.00 -0.10 0.02 -0.04 2.97 2.85 1gc1G1 VAL 127 H -0.00 0.07 0.20 -0.55 8.24 7.96 1gc1G1 VAL 127 HA -0.00 0.14 0.73 -0.75 4.13 4.24 1gc1G1 VAL 127 HB -0.00 -0.00 0.18 -0.04 2.12 2.25 1gc1G1 VAL 127 HG13 -0.00 -0.01 -0.08 -0.04 0.97 0.83 1gc1G1 VAL 127 HG23 -0.00 0.01 -0.09 -0.04 0.95 0.83 1gc1G1 GLY 128 H -0.00 0.38 0.32 -0.55 8.43 8.57 1gc1G1 GLY 128 HA2 -0.00 0.01 0.31 -0.51 4.01 3.82 1gc1G1 GLY 128 HA3 -0.00 0.20 0.84 -0.51 4.01 4.54 1gc1G1 ALA 129 H -0.00 0.17 0.16 -0.55 8.40 8.18 1gc1G1 ALA 129 HA -0.00 0.05 0.35 -0.75 4.34 3.99 1gc1G1 ALA 129 HB3 -0.00 0.06 0.04 -0.04 1.41 1.46 1gc1G1 GLY 194 H -0.00 0.06 -0.17 -0.55 8.43 7.78 1gc1G1 GLY 194 HA2 -0.00 0.00 0.28 -0.51 4.01 3.78 1gc1G1 GLY 194 HA3 -0.00 0.13 0.49 -0.51 4.01 4.12 1gc1G1 SER 195 H -0.00 0.35 -0.76 -0.55 8.46 7.51 1gc1G1 SER 195 HA -0.00 0.09 0.67 -0.75 4.49 4.49 1gc1G1 SER 195 HB2 -0.00 0.05 0.05 -0.04 3.95 4.01 1gc1G1 SER 195 HB3 -0.00 0.04 0.19 -0.04 3.93 4.12 1gc1G1 CYS 196 H -0.01 0.30 0.03 -0.55 8.50 8.28 1gc1G1 CYS 196 HA -0.01 -0.00 0.59 -0.75 4.58 4.41 1gc1G1 CYS 196 HB2 -0.01 0.01 -0.14 -0.04 2.97 2.79 1gc1G1 CYS 196 HB3 -0.01 0.10 -0.05 -0.04 2.97 2.97 1gc1G1 ASN 197 H -0.01 0.13 0.03 -0.55 8.53 8.13 1gc1G1 ASN 197 HA -0.01 0.15 0.77 -0.75 4.76 4.91 1gc1G1 ASN 197 HB2 -0.01 -0.04 0.07 -0.04 2.88 2.86 1gc1G1 ASN 197 HB3 -0.01 -0.01 0.04 -0.04 2.79 2.77 1gc1G1 ASN 197 HD21 -0.01 0.02 -0.07 -0.04 7.03 6.93 1gc1G1 ASN 197 HD22 -0.01 -0.02 -0.02 -0.04 7.74 7.65 1gc1G1 THR 198 H -0.01 0.14 -0.11 -0.55 8.28 7.75 1gc1G1 THR 198 HA -0.02 0.09 0.49 -0.75 4.39 4.20 1gc1G1 THR 198 HB -0.01 -0.03 0.05 -0.04 4.32 4.28 1gc1G1 THR 198 HG23 -0.02 -0.02 -0.16 -0.04 1.22 0.99 1gc1G1 SER 199 H -0.02 0.21 0.20 -0.55 8.46 8.31 1gc1G1 SER 199 HA -0.02 0.03 0.68 -0.75 4.49 4.44 1gc1G1 SER 199 HB2 -0.02 0.05 -0.05 -0.04 3.95 3.89 1gc1G1 SER 199 HB3 -0.02 -0.03 0.11 -0.04 3.93 3.95 1gc1G1 VAL 200 H -0.02 0.18 0.30 -0.55 8.24 8.15 1gc1G1 VAL 200 HA -0.03 0.21 0.95 -0.75 4.13 4.50 1gc1G1 VAL 200 HB -0.03 0.07 0.09 -0.04 2.12 2.21 1gc1G1 VAL 200 HG13 -0.02 0.03 -0.01 -0.04 0.97 0.92 1gc1G1 VAL 200 HG23 -0.02 -0.02 -0.05 -0.04 0.95 0.82 1gc1G1 ILE 201 H -0.04 0.82 0.19 -0.55 8.25 8.67 1gc1G1 ILE 201 HA -0.03 0.13 0.84 -0.75 4.18 4.37 1gc1G1 ILE 201 HB -0.04 -0.09 0.03 -0.04 1.89 1.75 1gc1G1 ILE 201 HG12 -0.02 0.08 -0.04 -0.04 1.49 1.46 1gc1G1 ILE 201 HG13 -0.03 -0.05 -0.59 -0.04 1.21 0.49 1gc1G1 ILE 201 HG23 -0.03 -0.01 -0.21 -0.04 0.93 0.64 1gc1G1 ILE 201 HD13 -0.03 -0.01 -0.10 -0.04 0.88 0.70 1gc1G1 THR 202 H -0.03 0.19 0.04 -0.55 8.28 7.94 1gc1G1 THR 202 HA -0.04 0.16 0.94 -0.75 4.39 4.69 1gc1G1 THR 202 HB -0.02 -0.02 0.21 -0.04 4.32 4.44 1gc1G1 THR 202 HG23 -0.02 0.01 -0.03 -0.04 1.22 1.14 1gc1G1 GLN 203 H -0.05 0.25 0.22 -0.55 8.47 8.34 1gc1G1 GLN 203 HA -0.02 0.10 0.75 -0.75 4.36 4.44 1gc1G1 GLN 203 HB2 -0.04 0.45 -0.04 -0.04 2.15 2.47 1gc1G1 GLN 203 HB3 -0.02 -0.02 -0.02 -0.04 2.02 1.92 1gc1G1 GLN 203 HG2 -0.02 -0.01 -0.08 -0.04 2.40 2.25 1gc1G1 GLN 203 HG3 -0.04 -0.16 -0.22 -0.04 2.39 1.94 1gc1G1 GLN 203 HE21 -0.03 0.01 -0.05 -0.04 6.97 6.85 1gc1G1 GLN 203 HE22 -0.03 -0.06 -0.08 -0.04 7.69 7.48 1gc1G1 ALA 204 H -0.01 0.12 0.04 -0.55 8.40 8.00 1gc1G1 ALA 204 HA -0.01 0.05 0.44 -0.75 4.34 4.07 1gc1G1 ALA 204 HB3 -0.00 -0.00 0.13 -0.04 1.41 1.49 1gc1G1 CYS 205 H -0.02 0.38 0.22 -0.55 8.50 8.53 1gc1G1 CYS 205 HA -0.02 0.23 0.35 -0.75 4.58 4.39 1gc1G1 CYS 205 HB2 -0.02 -0.08 0.17 -0.04 2.97 3.00 1gc1G1 CYS 205 HB3 -0.00 -0.12 0.06 -0.04 2.97 2.87 1gc1G1 PRO 206 HA 0.03 0.09 0.92 -0.51 4.44 4.97 1gc1G1 PRO 206 HB2 0.03 -0.05 -0.08 -0.04 2.28 2.14 1gc1G1 PRO 206 HB3 0.02 0.03 0.02 -0.04 2.02 2.05 1gc1G1 PRO 206 HG2 0.04 -0.05 0.18 -0.04 2.03 2.16 1gc1G1 PRO 206 HG3 0.02 0.02 0.14 -0.04 2.03 2.17 1gc1G1 PRO 206 HD2 0.06 0.40 0.43 -0.04 3.68 4.53 1gc1G1 PRO 206 HD3 0.01 0.25 0.35 -0.04 3.65 4.23 1gc1G1 LYS 207 H 0.03 0.13 0.09 -0.55 8.42 8.12 1gc1G1 LYS 207 HA 0.06 0.15 0.54 -0.75 4.32 4.32 1gc1G1 LYS 207 HB2 0.02 -0.04 0.21 -0.04 1.87 2.02 1gc1G1 LYS 207 HB3 0.03 -0.02 0.09 -0.04 1.79 1.85 1gc1G1 LYS 207 HG2 0.04 -0.02 0.01 -0.04 1.46 1.45 1gc1G1 LYS 207 HG3 0.03 -0.02 -0.01 -0.04 1.46 1.42 1gc1G1 LYS 207 HD2 0.07 0.02 -0.19 -0.04 1.69 1.55 1gc1G1 LYS 207 HD3 0.06 0.02 -0.15 -0.04 1.68 1.57 1gc1G1 LYS 207 HE2 0.04 -0.02 -0.09 -0.04 2.99 2.88 1gc1G1 LYS 207 HE3 0.04 -0.03 -0.05 -0.04 2.99 2.90 1gc1G1 VAL 208 H 0.04 0.39 0.20 -0.55 8.24 8.32 1gc1G1 VAL 208 HA 0.02 0.13 0.76 -0.75 4.13 4.28 1gc1G1 VAL 208 HB 0.03 0.04 -0.04 -0.04 2.12 2.11 1gc1G1 VAL 208 HG13 0.02 0.03 -0.29 -0.04 0.97 0.69 1gc1G1 VAL 208 HG23 0.02 -0.03 0.05 -0.04 0.95 0.94 1gc1G1 SER 209 H 0.01 0.20 0.09 -0.55 8.46 8.21 1gc1G1 SER 209 HA -0.00 0.15 0.75 -0.75 4.49 4.63 1gc1G1 SER 209 HB2 -0.03 0.01 -0.10 -0.04 3.95 3.80 1gc1G1 SER 209 HB3 -0.01 0.04 -0.06 -0.04 3.93 3.86 1gc1G1 PHE 210 H 0.04 0.13 0.01 -0.55 8.34 7.97 1gc1G1 PHE 210 HA -0.15 0.13 0.67 -0.75 4.62 4.52 1gc1G1 PHE 210 HB2 -0.33 0.04 0.02 -0.04 3.15 2.84 1gc1G1 PHE 210 HB3 -0.29 -0.07 0.11 -0.04 3.06 2.77 1gc1G1 PHE 210 HD2 -0.28 -0.01 -0.02 -0.04 7.28 6.93 1gc1G1 PHE 210 HE2 -0.01 -0.01 -0.05 -0.04 7.38 7.27 1gc1G1 PHE 210 HZ 0.13 -0.01 -0.04 -0.04 7.32 7.36 1gc1G1 GLU 211 H -0.37 0.25 0.17 -0.55 8.60 8.10 1gc1G1 GLU 211 HA -0.33 0.20 0.90 -0.75 4.29 4.30 1gc1G1 GLU 211 HB2 -0.16 0.04 0.04 -0.04 2.09 1.96 1gc1G1 GLU 211 HB3 -0.14 -0.02 -0.16 -0.04 1.99 1.63 1gc1G1 GLU 211 HG2 -0.13 0.00 0.01 -0.04 2.34 2.19 1gc1G1 GLU 211 HG3 -0.19 -0.01 -0.25 -0.04 2.34 1.84 1gc1G1 PRO 212 HA -0.30 0.08 0.71 -0.51 4.44 4.42 1gc1G1 PRO 212 HB2 -0.11 0.01 -0.13 -0.04 2.28 2.02 1gc1G1 PRO 212 HB3 -0.16 0.07 -0.03 -0.04 2.02 1.86 1gc1G1 PRO 212 HG2 -0.13 0.03 0.13 -0.04 2.03 2.02 1gc1G1 PRO 212 HG3 -0.11 0.02 0.03 -0.04 2.03 1.93 1gc1G1 PRO 212 HD2 -0.20 0.08 0.23 -0.04 3.68 3.74 1gc1G1 PRO 212 HD3 -0.29 0.15 0.08 -0.04 3.65 3.55 1gc1G1 ILE 213 H -0.15 0.19 0.14 -0.55 8.25 7.88 1gc1G1 ILE 213 HA -0.12 0.17 0.78 -0.75 4.18 4.26 1gc1G1 ILE 213 HB -0.11 -0.03 0.12 -0.04 1.89 1.83 1gc1G1 ILE 213 HG12 -0.11 0.00 -0.15 -0.04 1.49 1.19 1gc1G1 ILE 213 HG13 -0.08 -0.03 -0.02 -0.04 1.21 1.04 1gc1G1 ILE 213 HG23 -0.13 -0.01 -0.21 -0.04 0.93 0.54 1gc1G1 ILE 213 HD13 -0.09 0.01 0.02 -0.04 0.88 0.78 1gc1G1 PRO 214 HA -0.16 0.14 0.23 -0.51 4.44 4.14 1gc1G1 PRO 214 HB2 -0.28 -0.04 0.01 -0.04 2.28 1.93 1gc1G1 PRO 214 HB3 -0.18 -0.00 -0.18 -0.04 2.02 1.62 1gc1G1 PRO 214 HG2 -0.10 0.01 0.02 -0.04 2.03 1.91 1gc1G1 PRO 214 HG3 -0.10 0.07 -0.05 -0.04 2.03 1.91 1gc1G1 PRO 214 HD2 -0.13 0.05 0.16 -0.04 3.68 3.72 1gc1G1 PRO 214 HD3 -0.11 0.28 0.17 -0.04 3.65 3.95 1gc1G1 ILE 215 H -0.20 0.74 0.38 -0.55 8.25 8.62 1gc1G1 ILE 215 HA -0.32 0.14 0.99 -0.75 4.18 4.23 1gc1G1 ILE 215 HB -0.44 -0.03 0.02 -0.04 1.89 1.40 1gc1G1 ILE 215 HG12 -0.16 0.27 0.24 -0.04 1.49 1.80 1gc1G1 ILE 215 HG13 -0.18 -0.12 0.09 -0.04 1.21 0.96 1gc1G1 ILE 215 HG23 -0.16 0.08 0.02 -0.04 0.93 0.82 1gc1G1 ILE 215 HD13 -0.08 -0.03 -0.02 -0.04 0.88 0.70 1gc1G1 HIS 216 H -0.28 0.20 0.13 -0.55 8.41 7.92 1gc1G1 HIS 216 HA -0.15 0.26 0.88 -0.75 4.63 4.86 1gc1G1 HIS 216 HB2 -0.13 0.00 0.08 -0.04 3.26 3.18 1gc1G1 HIS 216 HB3 -0.09 -0.04 -0.10 -0.04 3.20 2.93 1gc1G1 HIS 216 HD2 -0.06 0.00 -0.08 -0.04 6.97 6.79 1gc1G1 HIS 216 HE1 -0.05 -0.08 -0.21 -0.04 7.75 7.37 1gc1G1 TYR 217 H 0.04 0.14 0.15 -0.55 8.29 8.07 1gc1G1 TYR 217 HA -0.04 0.20 0.94 -0.75 4.56 4.91 1gc1G1 TYR 217 HB2 -0.11 -0.05 0.13 -0.04 3.06 2.98 1gc1G1 TYR 217 HB3 -0.09 0.07 -0.01 -0.04 2.98 2.92 1gc1G1 TYR 217 HD2 -0.08 0.04 -0.02 -0.04 7.15 7.05 1gc1G1 TYR 217 HE2 -0.11 0.01 -0.04 -0.04 6.85 6.66 1gc1G1 CYS 218 H 0.06 0.17 0.04 -0.55 8.50 8.23 1gc1G1 CYS 218 HA 0.00 0.12 1.02 -0.75 4.58 4.97 1gc1G1 CYS 218 HB2 0.02 0.02 0.04 -0.04 2.97 3.01 1gc1G1 CYS 218 HB3 0.01 0.11 0.21 -0.04 2.97 3.26 1gc1G1 ALA 219 H 0.02 0.44 0.30 -0.55 8.40 8.61 1gc1G1 ALA 219 HA 0.04 0.03 0.37 -0.75 4.34 4.02 1gc1G1 ALA 219 HB3 0.06 0.06 0.16 -0.04 1.41 1.64 1gc1G1 PRO 220 HA 0.03 0.07 0.74 -0.51 4.44 4.78 1gc1G1 PRO 220 HB2 -0.13 -0.02 0.02 -0.04 2.28 2.12 1gc1G1 PRO 220 HB3 -0.06 0.03 0.06 -0.04 2.02 2.01 1gc1G1 PRO 220 HG2 -0.17 -0.01 0.12 -0.04 2.03 1.93 1gc1G1 PRO 220 HG3 -0.20 0.01 0.04 -0.04 2.03 1.83 1gc1G1 PRO 220 HD2 0.06 0.02 0.02 -0.04 3.68 3.74 1gc1G1 PRO 220 HD3 -0.01 0.26 0.12 -0.04 3.65 3.98 1gc1G1 ALA 221 H 0.07 0.16 0.11 -0.55 8.40 8.19 1gc1G1 ALA 221 HA 0.09 0.04 0.31 -0.75 4.34 4.02 1gc1G1 ALA 221 HB3 0.17 0.02 0.02 -0.04 1.41 1.58 1gc1G1 GLY 222 H 0.14 0.08 0.14 -0.55 8.43 8.25 1gc1G1 GLY 222 HA2 0.01 0.11 0.51 -0.51 4.01 4.13 1gc1G1 GLY 222 HA3 -0.05 0.03 0.49 -0.51 4.01 3.97 1gc1G1 PHE 223 H 0.21 0.74 -0.34 -0.55 8.34 8.40 1gc1G1 PHE 223 HA 0.02 0.06 0.93 -0.75 4.62 4.87 1gc1G1 PHE 223 HB2 0.01 0.25 -0.06 -0.04 3.15 3.31 1gc1G1 PHE 223 HB3 0.02 -0.12 -0.02 -0.04 3.06 2.90 1gc1G1 PHE 223 HD2 0.02 0.01 -0.36 -0.04 7.28 6.90 1gc1G1 PHE 223 HE2 0.02 -0.05 -0.09 -0.04 7.38 7.22 1gc1G1 PHE 223 HZ 0.02 -0.04 -0.04 -0.04 7.32 7.21 1gc1G1 ALA 224 H 0.18 0.50 0.35 -0.55 8.40 8.89 1gc1G1 ALA 224 HA 0.08 0.14 0.89 -0.75 4.34 4.69 1gc1G1 ALA 224 HB3 0.04 0.01 -0.04 -0.04 1.41 1.38 1gc1G1 ILE 225 H 0.05 0.27 0.22 -0.55 8.25 8.25 1gc1G1 ILE 225 HA 0.07 0.25 0.82 -0.75 4.18 4.57 1gc1G1 ILE 225 HB 0.03 0.13 -0.01 -0.04 1.89 2.01 1gc1G1 ILE 225 HG12 0.01 -0.02 -0.20 -0.04 1.49 1.24 1gc1G1 ILE 225 HG13 0.03 -0.05 -0.17 -0.04 1.21 0.98 1gc1G1 ILE 225 HG23 0.04 -0.03 -0.22 -0.04 0.93 0.68 1gc1G1 ILE 225 HD13 -0.04 0.01 -0.39 -0.04 0.88 0.42 1gc1G1 LEU 226 H 0.09 0.54 0.31 -0.55 8.37 8.77 1gc1G1 LEU 226 HA 0.04 0.18 0.88 -0.75 4.35 4.70 1gc1G1 LEU 226 HB2 0.05 0.04 0.06 -0.04 1.64 1.75 1gc1G1 LEU 226 HB3 0.02 0.01 -0.11 -0.04 1.64 1.51 1gc1G1 LEU 226 HG 0.02 -0.01 -0.26 -0.04 1.64 1.34 1gc1G1 LEU 226 HD13 0.04 0.01 -0.32 -0.04 0.93 0.63 1gc1G1 LEU 226 HD23 0.03 0.00 -0.15 -0.04 0.89 0.72 1gc1G1 LYS 227 H 0.06 0.43 0.17 -0.55 8.42 8.52 1gc1G1 LYS 227 HA -0.11 0.25 0.65 -0.75 4.32 4.36 1gc1G1 LYS 227 HB2 0.22 -0.05 0.01 -0.04 1.87 2.01 1gc1G1 LYS 227 HB3 0.02 0.01 0.08 -0.04 1.79 1.86 1gc1G1 LYS 227 HG2 -0.15 0.03 -0.52 -0.04 1.46 0.78 1gc1G1 LYS 227 HG3 -0.38 0.02 -0.05 -0.04 1.46 1.01 1gc1G1 LYS 227 HD2 -0.01 -0.06 -0.09 -0.04 1.69 1.48 1gc1G1 LYS 227 HD3 -0.08 -0.00 -0.09 -0.04 1.68 1.46 1gc1G1 LYS 227 HE2 0.12 -0.02 -0.03 -0.04 2.99 3.01 1gc1G1 LYS 227 HE3 0.28 -0.03 0.00 -0.04 2.99 3.19 1gc1G1 CYS 228 H -0.24 0.70 0.36 -0.55 8.50 8.77 1gc1G1 CYS 228 HA -0.18 0.05 0.80 -0.75 4.58 4.49 1gc1G1 CYS 228 HB2 -0.29 0.05 0.05 -0.04 2.97 2.74 1gc1G1 CYS 228 HB3 -0.12 0.01 0.17 -0.04 2.97 3.00 1gc1G1 ASN 229 H -0.13 0.48 0.15 -0.55 8.53 8.49 1gc1G1 ASN 229 HA -0.08 0.21 0.60 -0.75 4.76 4.74 1gc1G1 ASN 229 HB2 -0.06 -0.06 -0.16 -0.04 2.88 2.56 1gc1G1 ASN 229 HB3 -0.04 -0.02 0.03 -0.04 2.79 2.72 1gc1G1 ASN 229 HD21 -0.03 0.03 -0.15 -0.04 7.03 6.83 1gc1G1 ASN 229 HD22 -0.04 0.01 -0.12 -0.04 7.74 7.54 1gc1G1 ASN 230 H -0.15 0.15 -0.17 -0.55 8.53 7.81 1gc1G1 ASN 230 HA -0.03 -0.01 0.44 -0.75 4.76 4.40 1gc1G1 ASN 230 HB2 -0.16 -0.05 0.11 -0.04 2.88 2.74 1gc1G1 ASN 230 HB3 -0.10 0.03 0.07 -0.04 2.79 2.75 1gc1G1 ASN 230 HD21 0.05 0.09 -0.09 -0.04 7.03 7.04 1gc1G1 ASN 230 HD22 -0.05 -0.05 -0.02 -0.04 7.74 7.58 1gc1G1 LYS 231 H 0.00 0.14 0.25 -0.55 8.42 8.27 1gc1G1 LYS 231 HA 0.03 0.11 0.30 -0.75 4.32 4.01 1gc1G1 LYS 231 HB2 0.02 -0.01 0.05 -0.04 1.87 1.89 1gc1G1 LYS 231 HB3 0.01 0.05 0.15 -0.04 1.79 1.96 1gc1G1 LYS 231 HG2 0.02 -0.08 0.05 -0.04 1.46 1.41 1gc1G1 LYS 231 HG3 0.03 0.03 -0.19 -0.04 1.46 1.30 1gc1G1 LYS 231 HD2 0.01 0.02 -0.07 -0.04 1.69 1.62 1gc1G1 LYS 231 HD3 0.01 0.01 0.00 -0.04 1.68 1.66 1gc1G1 LYS 231 HE2 0.01 0.02 -0.03 -0.04 2.99 2.95 1gc1G1 LYS 231 HE3 0.01 -0.03 -0.02 -0.04 2.99 2.91 1gc1G1 THR 232 H 0.07 -0.02 -0.62 -0.55 8.28 7.16 1gc1G1 THR 232 HA 0.07 0.24 0.84 -0.75 4.39 4.79 1gc1G1 THR 232 HB 0.06 -0.02 0.06 -0.04 4.32 4.37 1gc1G1 THR 232 HG23 0.05 0.02 -0.02 -0.04 1.22 1.22 1gc1G1 PHE 233 H 0.25 0.47 -0.17 -0.55 8.34 8.33 1gc1G1 PHE 233 HA 0.04 -0.04 0.39 -0.75 4.62 4.26 1gc1G1 PHE 233 HB2 0.02 0.04 0.04 -0.04 3.15 3.21 1gc1G1 PHE 233 HB3 0.15 0.00 -0.01 -0.04 3.06 3.15 1gc1G1 PHE 233 HD2 -0.01 -0.05 -0.07 -0.04 7.28 7.10 1gc1G1 PHE 233 HE2 -0.04 0.01 -0.27 -0.04 7.38 7.04 1gc1G1 PHE 233 HZ -0.09 0.07 -0.14 -0.04 7.32 7.12 1gc1G1 ASN 234 H 0.21 0.14 0.00 -0.55 8.53 8.34 1gc1G1 ASN 234 HA -0.09 0.17 0.91 -0.75 4.76 5.00 1gc1G1 ASN 234 HB2 0.05 0.07 -0.07 -0.04 2.88 2.89 1gc1G1 ASN 234 HB3 0.08 -0.02 0.16 -0.04 2.79 2.96 1gc1G1 ASN 234 HD21 0.13 -0.05 0.04 -0.04 7.03 7.10 1gc1G1 ASN 234 HD22 0.09 -0.00 0.09 -0.04 7.74 7.88 1gc1G1 GLY 235 H -0.34 0.21 -0.16 -0.55 8.43 7.59 1gc1G1 GLY 235 HA2 -0.22 -0.00 0.18 -0.51 4.01 3.45 1gc1G1 GLY 235 HA3 0.10 -0.05 0.31 -0.51 4.01 3.86 1gc1G1 THR 236 H 0.15 0.10 0.25 -0.55 8.28 8.23 1gc1G1 THR 236 HA -0.03 0.19 0.72 -0.75 4.39 4.52 1gc1G1 THR 236 HB 0.17 0.06 0.14 -0.04 4.32 4.64 1gc1G1 THR 236 HG23 0.31 -0.00 0.13 -0.04 1.22 1.61 1gc1G1 GLY 237 H 0.12 0.31 0.30 -0.55 8.43 8.61 1gc1G1 GLY 237 HA2 0.30 -0.01 0.32 -0.51 4.01 4.11 1gc1G1 GLY 237 HA3 0.27 0.23 0.80 -0.51 4.01 4.80 1gc1G1 PRO 238 HA 0.20 0.27 0.71 -0.51 4.44 5.11 1gc1G1 PRO 238 HB2 0.08 0.04 0.01 -0.04 2.28 2.37 1gc1G1 PRO 238 HB3 0.15 -0.01 0.03 -0.04 2.02 2.15 1gc1G1 PRO 238 HG2 0.09 0.01 0.16 -0.04 2.03 2.24 1gc1G1 PRO 238 HG3 0.09 0.02 0.08 -0.04 2.03 2.18 1gc1G1 PRO 238 HD2 0.17 0.12 0.18 -0.04 3.68 4.12 1gc1G1 PRO 238 HD3 0.20 0.08 0.14 -0.04 3.65 4.03 1gc1G1 CYS 239 H -0.06 0.30 0.24 -0.55 8.50 8.43 1gc1G1 CYS 239 HA -0.41 -0.04 0.40 -0.75 4.58 3.77 1gc1G1 CYS 239 HB2 -1.11 0.05 -0.02 -0.04 2.97 1.85 1gc1G1 CYS 239 HB3 -0.29 0.02 -0.04 -0.04 2.97 2.63 1gc1G1 THR 240 H -0.15 0.07 0.15 -0.55 8.28 7.80 1gc1G1 THR 240 HA -0.05 0.12 0.57 -0.75 4.39 4.27 1gc1G1 THR 240 HB -0.04 0.01 0.07 -0.04 4.32 4.33 1gc1G1 THR 240 HG23 -0.02 0.05 0.05 -0.04 1.22 1.26 1gc1G1 ASN 241 H -0.09 0.06 0.09 -0.55 8.53 8.04 1gc1G1 ASN 241 HA -0.05 0.12 0.49 -0.75 4.76 4.56 1gc1G1 ASN 241 HB2 -0.05 0.02 0.09 -0.04 2.88 2.90 1gc1G1 ASN 241 HB3 -0.07 -0.11 0.06 -0.04 2.79 2.63 1gc1G1 ASN 241 HD21 -0.03 0.04 -0.05 -0.04 7.03 6.95 1gc1G1 ASN 241 HD22 -0.03 -0.03 -0.04 -0.04 7.74 7.60 1gc1G1 VAL 242 H -0.06 0.34 0.29 -0.55 8.24 8.26 1gc1G1 VAL 242 HA -0.09 0.03 0.80 -0.75 4.13 4.12 1gc1G1 VAL 242 HB -0.14 -0.04 -0.31 -0.04 2.12 1.59 1gc1G1 VAL 242 HG13 -0.05 0.05 -0.17 -0.04 0.97 0.77 1gc1G1 VAL 242 HG23 -0.05 0.07 -0.37 -0.04 0.95 0.56 1gc1G1 SER 243 H -0.04 0.76 0.24 -0.55 8.46 8.88 1gc1G1 SER 243 HA -0.01 0.08 0.65 -0.75 4.49 4.46 1gc1G1 SER 243 HB2 -0.01 0.07 0.06 -0.04 3.95 4.03 1gc1G1 SER 243 HB3 -0.02 0.05 -0.05 -0.04 3.93 3.88 1gc1G1 THR 244 H 0.00 0.10 0.17 -0.55 8.28 8.00 1gc1G1 THR 244 HA 0.03 0.25 0.74 -0.75 4.39 4.66 1gc1G1 THR 244 HB 0.01 -0.05 0.13 -0.04 4.32 4.37 1gc1G1 THR 244 HG23 0.02 -0.00 -0.07 -0.04 1.22 1.13 1gc1G1 VAL 245 H 0.04 0.73 0.41 -0.55 8.24 8.87 1gc1G1 VAL 245 HA 0.01 0.12 0.79 -0.75 4.13 4.31 1gc1G1 VAL 245 HB 0.02 0.02 0.11 -0.04 2.12 2.23 1gc1G1 VAL 245 HG13 0.04 0.03 -0.15 -0.04 0.97 0.85 1gc1G1 VAL 245 HG23 0.08 -0.01 -0.23 -0.04 0.95 0.75 1gc1G1 GLN 246 H -0.00 0.16 0.19 -0.55 8.47 8.27 1gc1G1 GLN 246 HA 0.01 0.11 0.69 -0.75 4.36 4.41 1gc1G1 GLN 246 HB2 -0.00 0.02 0.13 -0.04 2.15 2.25 1gc1G1 GLN 246 HB3 -0.02 0.01 0.10 -0.04 2.02 2.08 1gc1G1 GLN 246 HG2 -0.01 0.01 0.02 -0.04 2.40 2.38 1gc1G1 GLN 246 HG3 -0.00 -0.05 0.01 -0.04 2.39 2.30 1gc1G1 GLN 246 HE21 0.02 0.06 0.10 -0.04 6.97 7.11 1gc1G1 GLN 246 HE22 0.02 -0.13 0.23 -0.04 7.69 7.76 1gc1G1 CYS 247 H -0.03 0.23 0.09 -0.55 8.50 8.24 1gc1G1 CYS 247 HA -0.04 0.20 0.76 -0.75 4.58 4.75 1gc1G1 CYS 247 HB2 -0.12 0.01 -0.18 -0.04 2.97 2.65 1gc1G1 CYS 247 HB3 -0.06 -0.05 -0.27 -0.04 2.97 2.54 1gc1G1 THR 248 H -0.12 0.61 0.20 -0.55 8.28 8.42 1gc1G1 THR 248 HA -0.41 0.06 0.37 -0.75 4.39 3.65 1gc1G1 THR 248 HB -0.76 0.07 0.01 -0.04 4.32 3.59 1gc1G1 THR 248 HG23 -0.77 0.03 0.01 -0.04 1.22 0.45 1gc1G1 HIS 249 H 0.12 0.22 0.19 -0.55 8.41 8.40 1gc1G1 HIS 249 HA -0.04 0.09 0.18 -0.75 4.63 4.10 1gc1G1 HIS 249 HB2 0.08 -0.08 0.16 -0.04 3.26 3.38 1gc1G1 HIS 249 HB3 0.12 0.26 0.12 -0.04 3.20 3.66 1gc1G1 HIS 249 HD2 0.10 0.01 -0.06 -0.04 6.97 6.98 1gc1G1 HIS 249 HE1 0.28 0.13 -0.11 -0.04 7.75 8.01 1gc1G1 GLY 250 H 0.13 0.18 0.04 -0.55 8.43 8.24 1gc1G1 GLY 250 HA2 0.09 0.10 0.44 -0.51 4.01 4.13 1gc1G1 GLY 250 HA3 0.09 0.03 0.29 -0.51 4.01 3.91 1gc1G1 ILE 251 H -0.15 0.55 0.16 -0.55 8.25 8.26 1gc1G1 ILE 251 HA -0.21 0.09 0.53 -0.75 4.18 3.84 1gc1G1 ILE 251 HB -0.08 0.03 0.17 -0.04 1.89 1.96 1gc1G1 ILE 251 HG12 -0.36 -0.01 -0.16 -0.04 1.49 0.92 1gc1G1 ILE 251 HG13 -0.16 0.27 0.10 -0.04 1.21 1.38 1gc1G1 ILE 251 HG23 0.02 -0.01 -0.14 -0.04 0.93 0.76 1gc1G1 ILE 251 HD13 0.11 -0.04 -0.03 -0.04 0.88 0.88 1gc1G1 ARG 252 H -0.04 0.22 0.17 -0.55 8.46 8.25 1gc1G1 ARG 252 HA -0.07 0.15 0.69 -0.75 4.34 4.35 1gc1G1 ARG 252 HB2 -0.02 0.12 0.21 -0.04 1.90 2.17 1gc1G1 ARG 252 HB3 -0.00 -0.02 -0.01 -0.04 1.80 1.73 1gc1G1 ARG 252 HG2 -0.07 0.00 -0.20 -0.04 1.67 1.36 1gc1G1 ARG 252 HG3 -0.07 -0.04 -0.11 -0.04 1.67 1.41 1gc1G1 ARG 252 HD2 -0.04 -0.05 -0.03 -0.04 3.22 3.06 1gc1G1 ARG 252 HD3 -0.06 -0.01 -0.02 -0.04 3.22 3.09 1gc1G1 PRO 253 HA 0.07 0.06 0.43 -0.51 4.44 4.48 1gc1G1 PRO 253 HB2 -0.04 -0.02 0.06 -0.04 2.28 2.23 1gc1G1 PRO 253 HB3 -0.27 -0.02 0.03 -0.04 2.02 1.72 1gc1G1 PRO 253 HG2 0.02 -0.02 0.14 -0.04 2.03 2.12 1gc1G1 PRO 253 HG3 -0.05 0.05 0.11 -0.04 2.03 2.10 1gc1G1 PRO 253 HD2 -0.08 0.10 0.11 -0.04 3.68 3.77 1gc1G1 PRO 253 HD3 -0.11 0.24 0.22 -0.04 3.65 3.96 1gc1G1 VAL 254 H 0.25 0.35 0.22 -0.55 8.24 8.50 1gc1G1 VAL 254 HA 0.21 0.14 0.84 -0.75 4.13 4.57 1gc1G1 VAL 254 HB 0.11 0.02 0.13 -0.04 2.12 2.34 1gc1G1 VAL 254 HG13 0.09 -0.03 -0.21 -0.04 0.97 0.78 1gc1G1 VAL 254 HG23 0.05 0.03 -0.20 -0.04 0.95 0.79 1gc1G1 VAL 255 H 0.34 0.19 0.12 -0.55 8.24 8.34 1gc1G1 VAL 255 HA -0.16 0.10 0.81 -0.75 4.13 4.12 1gc1G1 VAL 255 HB 0.39 -0.00 0.12 -0.04 2.12 2.59 1gc1G1 VAL 255 HG13 -0.87 -0.01 -0.15 -0.04 0.97 -0.11 1gc1G1 VAL 255 HG23 -0.44 0.01 -0.10 -0.04 0.95 0.38 1gc1G1 SER 256 H -0.17 0.30 0.20 -0.55 8.46 8.24 1gc1G1 SER 256 HA 0.02 0.19 0.55 -0.75 4.49 4.49 1gc1G1 SER 256 HB2 0.14 0.09 0.09 -0.04 3.95 4.23 1gc1G1 SER 256 HB3 0.12 0.05 0.02 -0.04 3.93 4.09 1gc1G1 THR 257 H 0.05 0.55 0.30 -0.55 8.28 8.64 1gc1G1 THR 257 HA -0.01 0.07 1.10 -0.75 4.39 4.79 1gc1G1 THR 257 HB 0.03 0.09 0.12 -0.04 4.32 4.52 1gc1G1 THR 257 HG23 -0.03 -0.03 -0.13 -0.04 1.22 0.99 1gc1G1 GLN 258 H 0.02 0.25 0.36 -0.55 8.47 8.55 1gc1G1 GLN 258 HA 0.00 -0.00 0.43 -0.75 4.36 4.03 1gc1G1 GLN 258 HB2 -0.07 -0.10 0.18 -0.04 2.15 2.12 1gc1G1 GLN 258 HB3 -0.05 0.18 0.16 -0.04 2.02 2.27 1gc1G1 GLN 258 HG2 0.13 -0.04 -0.67 -0.04 2.40 1.77 1gc1G1 GLN 258 HG3 0.18 -0.01 -0.15 -0.04 2.39 2.36 1gc1G1 GLN 258 HE21 0.01 -0.02 -0.33 -0.04 6.97 6.59 1gc1G1 GLN 258 HE22 -0.00 0.17 -0.23 -0.04 7.69 7.59 1gc1G1 LEU 259 H 0.13 0.52 -0.90 -0.55 8.37 7.58 1gc1G1 LEU 259 HA 0.05 0.15 0.79 -0.75 4.35 4.58 1gc1G1 LEU 259 HB2 -0.45 -0.00 0.01 -0.04 1.64 1.16 1gc1G1 LEU 259 HB3 -0.17 -0.01 -0.06 -0.04 1.64 1.36 1gc1G1 LEU 259 HG -0.12 -0.01 -0.24 -0.04 1.64 1.22 1gc1G1 LEU 259 HD13 -0.81 -0.02 -0.09 -0.04 0.93 -0.03 1gc1G1 LEU 259 HD23 0.19 0.07 -0.04 -0.04 0.89 1.07 1gc1G1 LEU 260 H 0.03 0.14 -0.25 -0.55 8.37 7.74 1gc1G1 LEU 260 HA 0.02 0.13 0.51 -0.75 4.35 4.25 1gc1G1 LEU 260 HB2 0.02 -0.12 -0.02 -0.04 1.64 1.48 1gc1G1 LEU 260 HB3 0.03 0.09 -0.09 -0.04 1.64 1.62 1gc1G1 LEU 260 HG -0.00 -0.07 -0.23 -0.04 1.64 1.29 1gc1G1 LEU 260 HD13 -0.01 0.01 -0.04 -0.04 0.93 0.85 1gc1G1 LEU 260 HD23 -0.02 0.04 -0.00 -0.04 0.89 0.87 1gc1G1 LEU 261 H 0.03 0.26 0.10 -0.55 8.37 8.22 1gc1G1 LEU 261 HA -0.01 0.24 1.07 -0.75 4.35 4.90 1gc1G1 LEU 261 HB2 -0.01 0.02 -0.16 -0.04 1.64 1.46 1gc1G1 LEU 261 HB3 -0.05 -0.10 -0.10 -0.04 1.64 1.35 1gc1G1 LEU 261 HG 0.04 0.15 -0.29 -0.04 1.64 1.50 1gc1G1 LEU 261 HD13 -0.11 -0.01 -0.17 -0.04 0.93 0.60 1gc1G1 LEU 261 HD23 -0.13 0.01 -0.47 -0.04 0.89 0.25 1gc1G1 ASN 262 H -0.01 0.40 0.25 -0.55 8.53 8.63 1gc1G1 ASN 262 HA -0.00 0.02 0.35 -0.75 4.76 4.37 1gc1G1 ASN 262 HB2 0.00 0.05 -0.23 -0.04 2.88 2.67 1gc1G1 ASN 262 HB3 -0.01 0.04 0.25 -0.04 2.79 3.02 1gc1G1 ASN 262 HD21 -0.04 0.04 0.08 -0.04 7.03 7.07 1gc1G1 ASN 262 HD22 -0.03 0.04 0.05 -0.04 7.74 7.76 1gc1G1 GLY 263 H 0.02 0.02 -0.38 -0.55 8.43 7.54 1gc1G1 GLY 263 HA2 0.05 0.20 0.82 -0.51 4.01 4.57 1gc1G1 GLY 263 HA3 0.06 0.00 0.16 -0.51 4.01 3.73 1gc1G1 SER 264 H 0.11 0.10 0.09 -0.55 8.46 8.22 1gc1G1 SER 264 HA 0.09 0.06 0.62 -0.75 4.49 4.51 1gc1G1 SER 264 HB2 0.25 -0.05 0.07 -0.04 3.95 4.18 1gc1G1 SER 264 HB3 0.22 -0.00 0.13 -0.04 3.93 4.24 1gc1G1 LEU 265 H 0.06 0.07 0.16 -0.55 8.37 8.12 1gc1G1 LEU 265 HA 0.01 0.15 0.63 -0.75 4.35 4.39 1gc1G1 LEU 265 HB2 0.02 -0.07 -0.02 -0.04 1.64 1.53 1gc1G1 LEU 265 HB3 0.01 0.29 0.04 -0.04 1.64 1.93 1gc1G1 LEU 265 HG 0.02 -0.02 -0.04 -0.04 1.64 1.55 1gc1G1 LEU 265 HD13 0.01 0.01 -0.01 -0.04 0.93 0.89 1gc1G1 LEU 265 HD23 0.00 -0.00 -0.29 -0.04 0.89 0.56 1gc1G1 ALA 266 H -0.01 0.71 0.18 -0.55 8.40 8.74 1gc1G1 ALA 266 HA 0.02 0.07 0.64 -0.75 4.34 4.31 1gc1G1 ALA 266 HB3 -0.02 -0.04 -0.05 -0.04 1.41 1.26 1gc1G1 GLU 267 H 0.03 0.19 0.19 -0.55 8.60 8.46 1gc1G1 GLU 267 HA 0.01 0.21 0.74 -0.75 4.29 4.49 1gc1G1 GLU 267 HB2 0.01 -0.03 0.13 -0.04 2.09 2.16 1gc1G1 GLU 267 HB3 0.02 0.02 0.07 -0.04 1.99 2.06 1gc1G1 GLU 267 HG2 0.03 0.08 0.18 -0.04 2.34 2.59 1gc1G1 GLU 267 HG3 0.02 -0.04 -0.06 -0.04 2.34 2.21 1gc1G1 GLU 268 H 0.01 0.04 -0.14 -0.55 8.60 7.97 1gc1G1 GLU 268 HA 0.01 0.23 1.00 -0.75 4.29 4.77 1gc1G1 GLU 268 HB2 0.02 0.01 0.03 -0.04 2.09 2.11 1gc1G1 GLU 268 HB3 0.02 0.02 -0.03 -0.04 1.99 1.96 1gc1G1 GLU 268 HG2 0.01 0.01 -0.21 -0.04 2.34 2.11 1gc1G1 GLU 268 HG3 0.02 -0.06 -0.09 -0.04 2.34 2.16 1gc1G1 GLU 269 H 0.01 0.16 0.07 -0.55 8.60 8.29 1gc1G1 GLU 269 HA -0.01 0.18 0.73 -0.75 4.29 4.43 1gc1G1 GLU 269 HB2 0.04 0.03 -0.08 -0.04 2.09 2.03 1gc1G1 GLU 269 HB3 0.01 -0.01 0.10 -0.04 1.99 2.06 1gc1G1 GLU 269 HG2 0.02 0.04 -0.05 -0.04 2.34 2.31 1gc1G1 GLU 269 HG3 0.02 -0.10 -0.47 -0.04 2.34 1.75 1gc1G1 VAL 270 H -0.05 0.11 0.08 -0.55 8.24 7.83 1gc1G1 VAL 270 HA -0.06 0.19 0.45 -0.75 4.13 3.96 1gc1G1 VAL 270 HB -0.12 0.05 -0.00 -0.04 2.12 2.01 1gc1G1 VAL 270 HG13 -0.11 0.01 -0.19 -0.04 0.97 0.64 1gc1G1 VAL 270 HG23 -0.12 -0.07 0.02 -0.04 0.95 0.73 1gc1G1 VAL 271 H -0.05 0.43 0.31 -0.55 8.24 8.38 1gc1G1 VAL 271 HA 0.00 0.16 0.91 -0.75 4.13 4.45 1gc1G1 VAL 271 HB -0.07 -0.05 0.10 -0.04 2.12 2.06 1gc1G1 VAL 271 HG13 -0.01 0.04 -0.13 -0.04 0.97 0.83 1gc1G1 VAL 271 HG23 0.00 0.06 -0.13 -0.04 0.95 0.84 1gc1G1 ILE 272 H 0.04 0.20 0.15 -0.55 8.25 8.09 1gc1G1 ILE 272 HA 0.04 0.24 1.01 -0.75 4.18 4.72 1gc1G1 ILE 272 HB 0.16 -0.01 0.01 -0.04 1.89 2.01 1gc1G1 ILE 272 HG12 0.06 -0.01 0.04 -0.04 1.49 1.53 1gc1G1 ILE 272 HG13 0.29 -0.03 -0.25 -0.04 1.21 1.18 1gc1G1 ILE 272 HG23 -0.03 -0.01 -0.21 -0.04 0.93 0.64 1gc1G1 ILE 272 HD13 -0.00 -0.01 -0.13 -0.04 0.88 0.69 1gc1G1 ARG 273 H 0.15 0.62 0.32 -0.55 8.46 9.00 1gc1G1 ARG 273 HA 0.35 0.12 0.61 -0.75 4.34 4.66 1gc1G1 ARG 273 HB2 0.11 -0.00 -0.12 -0.04 1.90 1.84 1gc1G1 ARG 273 HB3 0.53 -0.06 -0.07 -0.04 1.80 2.15 1gc1G1 ARG 273 HG2 0.16 -0.03 -0.10 -0.04 1.67 1.66 1gc1G1 ARG 273 HG3 0.06 0.33 -0.34 -0.04 1.67 1.68 1gc1G1 ARG 273 HD2 -0.20 -0.05 -0.09 -0.04 3.22 2.84 1gc1G1 ARG 273 HD3 -0.20 -0.19 0.02 -0.04 3.22 2.81 1gc1G1 SER 274 H -0.24 0.37 0.16 -0.55 8.46 8.20 1gc1G1 SER 274 HA -1.00 0.17 0.57 -0.75 4.49 3.48 1gc1G1 SER 274 HB2 -0.70 0.11 -0.03 -0.04 3.95 3.28 1gc1G1 SER 274 HB3 -2.13 -0.06 -0.20 -0.04 3.93 1.50 1gc1G1 VAL 275 H -1.46 0.23 0.13 -0.55 8.24 6.59 1gc1G1 VAL 275 HA -0.96 0.06 0.48 -0.75 4.13 2.95 1gc1G1 VAL 275 HB -0.49 -0.01 0.12 -0.04 2.12 1.70 1gc1G1 VAL 275 HG13 -0.17 -0.00 -0.00 -0.04 0.97 0.76 1gc1G1 VAL 275 HG23 -0.69 0.01 0.10 -0.04 0.95 0.33 1gc1G1 ASN 276 H -0.54 0.19 -0.16 -0.55 8.53 7.47 1gc1G1 ASN 276 HA -0.12 0.17 0.70 -0.75 4.76 4.76 1gc1G1 ASN 276 HB2 -0.16 0.06 -0.20 -0.04 2.88 2.54 1gc1G1 ASN 276 HB3 -0.15 -0.02 0.20 -0.04 2.79 2.78 1gc1G1 ASN 276 HD21 -0.03 0.04 0.02 -0.04 7.03 7.02 1gc1G1 ASN 276 HD22 -0.06 0.03 0.01 -0.04 7.74 7.68 1gc1G1 PHE 277 H 0.15 0.26 0.01 -0.55 8.34 8.21 1gc1G1 PHE 277 HA -0.06 0.13 0.38 -0.75 4.62 4.32 1gc1G1 PHE 277 HB2 -0.02 0.02 0.01 -0.04 3.15 3.12 1gc1G1 PHE 277 HB3 0.00 0.10 0.06 -0.04 3.06 3.18 1gc1G1 PHE 277 HD2 -0.01 -0.03 -0.02 -0.04 7.28 7.18 1gc1G1 PHE 277 HE2 0.00 0.03 -0.11 -0.04 7.38 7.26 1gc1G1 PHE 277 HZ 0.03 0.09 -0.21 -0.04 7.32 7.19 1gc1G1 THR 278 H 0.04 -0.08 -0.45 -0.55 8.28 7.24 1gc1G1 THR 278 HA 0.04 0.19 0.58 -0.75 4.39 4.45 1gc1G1 THR 278 HB 0.00 -0.05 -0.01 -0.04 4.32 4.22 1gc1G1 THR 278 HG23 0.01 0.00 -0.04 -0.04 1.22 1.15 1gc1G1 ASP 279 H -0.04 0.06 -0.10 -0.55 8.40 7.77 1gc1G1 ASP 279 HA -0.03 0.04 0.60 -0.75 4.63 4.49 1gc1G1 ASP 279 HB2 -0.05 0.02 0.12 -0.04 2.71 2.76 1gc1G1 ASP 279 HB3 -0.08 0.06 0.21 -0.04 2.70 2.85 1gc1G1 ASN 280 H -0.03 0.17 0.21 -0.55 8.53 8.34 1gc1G1 ASN 280 HA -0.04 0.14 0.29 -0.75 4.76 4.40 1gc1G1 ASN 280 HB2 -0.05 0.38 0.06 -0.04 2.88 3.23 1gc1G1 ASN 280 HB3 -0.04 0.02 0.03 -0.04 2.79 2.76 1gc1G1 ASN 280 HD21 -0.03 -0.03 0.08 -0.04 7.03 7.01 1gc1G1 ASN 280 HD22 -0.04 -0.10 0.11 -0.04 7.74 7.67 1gc1G1 ALA 281 H -0.04 -0.05 -0.47 -0.55 8.40 7.28 1gc1G1 ALA 281 HA -0.04 0.13 0.47 -0.75 4.34 4.15 1gc1G1 ALA 281 HB3 -0.04 -0.02 0.04 -0.04 1.41 1.36 1gc1G1 LYS 282 H -0.09 0.49 -0.24 -0.55 8.42 8.03 1gc1G1 LYS 282 HA -0.10 0.04 0.80 -0.75 4.32 4.31 1gc1G1 LYS 282 HB2 -0.21 0.24 0.18 -0.04 1.87 2.04 1gc1G1 LYS 282 HB3 -0.30 -0.08 0.08 -0.04 1.79 1.45 1gc1G1 LYS 282 HG2 -0.12 0.01 -0.02 -0.04 1.46 1.28 1gc1G1 LYS 282 HG3 -0.11 -0.07 -0.00 -0.04 1.46 1.23 1gc1G1 LYS 282 HD2 -0.21 0.01 0.09 -0.04 1.69 1.54 1gc1G1 LYS 282 HD3 -0.27 -0.07 0.05 -0.04 1.68 1.36 1gc1G1 LYS 282 HE2 -0.12 0.02 -0.01 -0.04 2.99 2.83 1gc1G1 LYS 282 HE3 -0.09 0.02 0.00 -0.04 2.99 2.88 1gc1G1 THR 283 H -0.08 0.01 0.22 -0.55 8.28 7.88 1gc1G1 THR 283 HA -0.02 0.27 0.48 -0.75 4.39 4.36 1gc1G1 THR 283 HB 0.06 -0.10 0.11 -0.04 4.32 4.35 1gc1G1 THR 283 HG23 0.05 0.02 -0.12 -0.04 1.22 1.14 1gc1G1 ILE 284 H 0.02 0.52 0.20 -0.55 8.25 8.44 1gc1G1 ILE 284 HA -0.08 0.22 0.92 -0.75 4.18 4.49 1gc1G1 ILE 284 HB 0.08 -0.12 0.00 -0.04 1.89 1.82 1gc1G1 ILE 284 HG12 -0.14 -0.01 -0.14 -0.04 1.49 1.17 1gc1G1 ILE 284 HG13 -0.02 0.15 -0.21 -0.04 1.21 1.10 1gc1G1 ILE 284 HG23 0.11 -0.00 -0.16 -0.04 0.93 0.84 1gc1G1 ILE 284 HD13 0.23 -0.02 -0.10 -0.04 0.88 0.95 1gc1G1 ILE 285 H 0.20 0.72 0.33 -0.55 8.25 8.95 1gc1G1 ILE 285 HA 0.05 0.14 0.99 -0.75 4.18 4.61 1gc1G1 ILE 285 HB 0.07 -0.03 0.05 -0.04 1.89 1.94 1gc1G1 ILE 285 HG12 0.11 -0.03 -0.06 -0.04 1.49 1.47 1gc1G1 ILE 285 HG13 0.45 0.02 -0.07 -0.04 1.21 1.57 1gc1G1 ILE 285 HG23 -0.03 0.01 -0.01 -0.04 0.93 0.85 1gc1G1 ILE 285 HD13 -0.20 0.00 -0.07 -0.04 0.88 0.58 1gc1G1 VAL 286 H 0.01 0.62 0.37 -0.55 8.24 8.68 1gc1G1 VAL 286 HA -0.01 0.20 1.03 -0.75 4.13 4.60 1gc1G1 VAL 286 HB -0.01 -0.08 0.06 -0.04 2.12 2.04 1gc1G1 VAL 286 HG13 -0.08 0.00 -0.31 -0.04 0.97 0.54 1gc1G1 VAL 286 HG23 -0.00 -0.00 -0.32 -0.04 0.95 0.59 1gc1G1 GLN 287 H -0.05 0.91 0.34 -0.55 8.47 9.12 1gc1G1 GLN 287 HA -0.05 0.16 0.93 -0.75 4.36 4.65 1gc1G1 GLN 287 HB2 -0.15 -0.03 0.05 -0.04 2.15 1.98 1gc1G1 GLN 287 HB3 -0.09 -0.05 0.25 -0.04 2.02 2.08 1gc1G1 GLN 287 HG2 -0.04 -0.05 -0.13 -0.04 2.40 2.14 1gc1G1 GLN 287 HG3 -0.04 0.15 0.09 -0.04 2.39 2.56 1gc1G1 GLN 287 HE21 0.03 -0.06 -0.13 -0.04 6.97 6.78 1gc1G1 GLN 287 HE22 0.01 0.23 -0.18 -0.04 7.69 7.72 1gc1G1 LEU 288 H -0.03 0.52 0.23 -0.55 8.37 8.54 1gc1G1 LEU 288 HA -0.08 0.06 0.64 -0.75 4.35 4.21 1gc1G1 LEU 288 HB2 -0.03 0.16 -0.18 -0.04 1.64 1.55 1gc1G1 LEU 288 HB3 -0.07 0.01 -0.12 -0.04 1.64 1.42 1gc1G1 LEU 288 HG -0.05 -0.03 -0.31 -0.04 1.64 1.21 1gc1G1 LEU 288 HD13 -0.08 0.00 -0.20 -0.04 0.93 0.61 1gc1G1 LEU 288 HD23 -0.15 -0.01 -0.21 -0.04 0.89 0.48 1gc1G1 ASN 289 H -0.08 0.06 0.08 -0.55 8.53 8.05 1gc1G1 ASN 289 HA -0.03 0.19 0.32 -0.75 4.76 4.48 1gc1G1 ASN 289 HB2 -0.07 -0.08 0.11 -0.04 2.88 2.80 1gc1G1 ASN 289 HB3 -0.05 0.02 -0.05 -0.04 2.79 2.67 1gc1G1 ASN 289 HD21 -0.03 0.05 0.09 -0.04 7.03 7.10 1gc1G1 ASN 289 HD22 -0.06 -0.03 0.01 -0.04 7.74 7.63 1gc1G1 THR 290 H -0.06 0.06 0.05 -0.55 8.28 7.78 1gc1G1 THR 290 HA -0.02 0.21 0.86 -0.75 4.39 4.69 1gc1G1 THR 290 HB -0.04 -0.02 -0.01 -0.04 4.32 4.21 1gc1G1 THR 290 HG23 -0.01 0.04 0.03 -0.04 1.22 1.24 1gc1G1 SER 291 H -0.00 0.09 0.10 -0.55 8.46 8.10 1gc1G1 SER 291 HA 0.00 0.29 0.54 -0.75 4.49 4.57 1gc1G1 SER 291 HB2 0.00 -0.07 0.06 -0.04 3.95 3.90 1gc1G1 SER 291 HB3 0.00 0.00 0.01 -0.04 3.93 3.90 1gc1G1 VAL 292 H 0.03 0.50 0.33 -0.55 8.24 8.55 1gc1G1 VAL 292 HA 0.05 0.12 0.80 -0.75 4.13 4.35 1gc1G1 VAL 292 HB 0.17 -0.05 -0.01 -0.04 2.12 2.20 1gc1G1 VAL 292 HG13 0.30 0.00 0.01 -0.04 0.97 1.25 1gc1G1 VAL 292 HG23 0.08 0.05 -0.17 -0.04 0.95 0.87 1gc1G1 GLU 293 H 0.03 0.11 0.21 -0.55 8.60 8.40 1gc1G1 GLU 293 HA -0.02 0.36 1.16 -0.75 4.29 5.03 1gc1G1 GLU 293 HB2 -0.01 -0.09 0.11 -0.04 2.09 2.07 1gc1G1 GLU 293 HB3 -0.02 0.03 0.01 -0.04 1.99 1.97 1gc1G1 GLU 293 HG2 -0.01 0.07 -0.11 -0.04 2.34 2.25 1gc1G1 GLU 293 HG3 -0.00 -0.07 -0.36 -0.04 2.34 1.88 1gc1G1 ILE 294 H -0.07 0.56 0.17 -0.55 8.25 8.36 1gc1G1 ILE 294 HA -0.09 0.22 0.74 -0.75 4.18 4.31 1gc1G1 ILE 294 HB -0.17 0.04 -0.15 -0.04 1.89 1.56 1gc1G1 ILE 294 HG12 -0.14 -0.06 -0.30 -0.04 1.49 0.95 1gc1G1 ILE 294 HG13 -0.10 0.06 -0.21 -0.04 1.21 0.92 1gc1G1 ILE 294 HG23 -0.17 -0.02 -0.09 -0.04 0.93 0.61 1gc1G1 ILE 294 HD13 -0.20 0.00 -0.16 -0.04 0.88 0.48 1gc1G1 ASN 295 H -0.03 0.56 0.24 -0.55 8.53 8.75 1gc1G1 ASN 295 HA -0.03 0.22 1.01 -0.75 4.76 5.21 1gc1G1 ASN 295 HB2 0.02 -0.04 0.18 -0.04 2.88 2.99 1gc1G1 ASN 295 HB3 0.01 0.05 0.12 -0.04 2.79 2.93 1gc1G1 ASN 295 HD21 -0.01 -0.02 -0.02 -0.04 7.03 6.94 1gc1G1 ASN 295 HD22 0.00 0.02 0.00 -0.04 7.74 7.73 1gc1G1 CYS 296 H -0.03 0.63 0.36 -0.55 8.50 8.91 1gc1G1 CYS 296 HA 0.10 0.30 1.04 -0.75 4.58 5.26 1gc1G1 CYS 296 HB2 -0.10 -0.11 -0.08 -0.04 2.97 2.64 1gc1G1 CYS 296 HB3 0.09 0.07 -0.03 -0.04 2.97 3.06 1gc1G1 THR 297 H 0.12 0.56 0.30 -0.55 8.28 8.70 1gc1G1 THR 297 HA 0.09 0.40 0.96 -0.75 4.39 5.09 1gc1G1 THR 297 HB -0.01 -0.20 0.04 -0.04 4.32 4.11 1gc1G1 THR 297 HG23 0.04 0.05 -0.06 -0.04 1.22 1.21 1gc1G1 GLY 298 H 0.14 0.43 0.25 -0.55 8.43 8.71 1gc1G1 GLY 298 HA2 -0.00 0.08 0.31 -0.51 4.01 3.89 1gc1G1 GLY 298 HA3 0.05 0.02 0.34 -0.51 4.01 3.91 1gc1G1 ALA 299 H -0.05 0.04 -0.42 -0.55 8.40 7.42 1gc1G1 ALA 299 HA -0.06 0.11 0.34 -0.75 4.34 3.97 1gc1G1 ALA 299 HB3 -0.11 0.01 0.06 -0.04 1.41 1.32 1gc1G1 GLY 329 H -0.10 0.20 -0.91 -0.55 8.43 7.08 1gc1G1 GLY 329 HA2 -0.05 0.04 0.19 -0.51 4.01 3.68 1gc1G1 GLY 329 HA3 -0.02 0.12 0.51 -0.51 4.01 4.11 1gc1G1 HIS 330 H -0.32 0.12 -0.08 -0.55 8.41 7.58 1gc1G1 HIS 330 HA 0.10 0.33 1.01 -0.75 4.63 5.33 1gc1G1 HIS 330 HB2 0.05 -0.03 0.01 -0.04 3.26 3.25 1gc1G1 HIS 330 HB3 0.05 0.06 -0.12 -0.04 3.20 3.15 1gc1G1 HIS 330 HD2 0.03 0.09 -0.13 -0.04 6.97 6.92 1gc1G1 HIS 330 HE1 0.04 -0.02 -0.10 -0.04 7.75 7.62 1gc1G1 CYS 331 H 0.19 0.61 0.29 -0.55 8.50 9.04 1gc1G1 CYS 331 HA 0.13 0.29 0.96 -0.75 4.58 5.20 1gc1G1 CYS 331 HB2 0.12 -0.00 0.05 -0.04 2.97 3.09 1gc1G1 CYS 331 HB3 0.04 0.00 -0.13 -0.04 2.97 2.85 1gc1G1 ASN 332 H 0.05 0.58 0.29 -0.55 8.53 8.92 1gc1G1 ASN 332 HA -0.02 0.53 1.24 -0.75 4.76 5.75 1gc1G1 ASN 332 HB2 -0.03 -0.01 -0.14 -0.04 2.88 2.66 1gc1G1 ASN 332 HB3 -0.01 -0.04 -0.10 -0.04 2.79 2.60 1gc1G1 ASN 332 HD21 0.01 -0.03 -0.01 -0.04 7.03 6.96 1gc1G1 ASN 332 HD22 0.04 0.09 0.09 -0.04 7.74 7.92 1gc1G1 ILE 333 H -0.07 0.66 0.28 -0.55 8.25 8.57 1gc1G1 ILE 333 HA -0.05 0.15 0.81 -0.75 4.18 4.33 1gc1G1 ILE 333 HB -0.15 0.20 0.25 -0.04 1.89 2.15 1gc1G1 ILE 333 HG12 -0.12 -0.02 -0.34 -0.04 1.49 0.98 1gc1G1 ILE 333 HG13 -0.03 -0.06 0.05 -0.04 1.21 1.12 1gc1G1 ILE 333 HG23 -0.26 -0.00 -0.12 -0.04 0.93 0.52 1gc1G1 ILE 333 HD13 -0.67 -0.01 -0.06 -0.04 0.88 0.10 1gc1G1 SER 334 H 0.00 0.18 0.17 -0.55 8.46 8.27 1gc1G1 SER 334 HA 0.01 0.07 0.54 -0.75 4.49 4.36 1gc1G1 SER 334 HB2 0.05 -0.08 0.20 -0.04 3.95 4.08 1gc1G1 SER 334 HB3 0.03 -0.01 0.15 -0.04 3.93 4.06 1gc1G1 ARG 335 H 0.02 0.46 0.42 -0.55 8.46 8.80 1gc1G1 ARG 335 HA 0.07 0.13 0.49 -0.75 4.34 4.27 1gc1G1 ARG 335 HB2 0.02 -0.03 -0.12 -0.04 1.90 1.73 1gc1G1 ARG 335 HB3 0.03 0.19 0.16 -0.04 1.80 2.14 1gc1G1 ARG 335 HG2 0.05 -0.02 -0.31 -0.04 1.67 1.35 1gc1G1 ARG 335 HG3 0.05 0.04 -0.03 -0.04 1.67 1.69 1gc1G1 ARG 335 HD2 0.02 -0.02 -0.04 -0.04 3.22 3.14 1gc1G1 ARG 335 HD3 0.02 0.02 -0.06 -0.04 3.22 3.17 1gc1G1 ALA 336 H 0.05 0.11 -0.00 -0.55 8.40 8.01 1gc1G1 ALA 336 HA 0.07 0.15 0.60 -0.75 4.34 4.40 1gc1G1 ALA 336 HB3 0.04 0.02 0.11 -0.04 1.41 1.53 1gc1G1 LYS 337 H 0.06 0.03 -0.10 -0.55 8.42 7.86 1gc1G1 LYS 337 HA 0.03 0.08 0.34 -0.75 4.32 4.01 1gc1G1 LYS 337 HB2 0.08 -0.04 0.15 -0.04 1.87 2.02 1gc1G1 LYS 337 HB3 0.07 0.07 0.02 -0.04 1.79 1.91 1gc1G1 LYS 337 HG2 0.02 0.07 0.07 -0.04 1.46 1.59 1gc1G1 LYS 337 HG3 0.03 -0.05 0.09 -0.04 1.46 1.48 1gc1G1 LYS 337 HD2 0.03 -0.09 0.12 -0.04 1.69 1.70 1gc1G1 LYS 337 HD3 0.03 0.07 0.10 -0.04 1.68 1.84 1gc1G1 LYS 337 HE2 0.01 0.07 0.03 -0.04 2.99 3.06 1gc1G1 LYS 337 HE3 0.01 -0.01 0.04 -0.04 2.99 2.99 1gc1G1 TRP 338 H 0.23 0.39 -0.29 -0.55 7.97 7.75 1gc1G1 TRP 338 HA -0.07 0.07 0.56 -0.75 4.62 4.42 1gc1G1 TRP 338 HB2 -0.07 0.07 0.06 -0.04 3.23 3.24 1gc1G1 TRP 338 HB3 -0.08 0.10 -0.03 -0.04 3.23 3.17 1gc1G1 TRP 338 HD1 -0.10 -0.07 -0.06 -0.04 7.22 6.96 1gc1G1 TRP 338 HE1 -0.13 0.01 -0.05 -0.04 10.20 9.99 1gc1G1 TRP 338 HE3 -0.16 0.04 -0.10 -0.04 7.59 7.33 1gc1G1 TRP 338 HZ2 -0.18 0.02 -0.05 -0.04 7.44 7.19 1gc1G1 TRP 338 HZ3 -0.47 0.64 0.14 -0.04 7.13 7.40 1gc1G1 TRP 338 HH2 -1.08 0.01 -0.13 -0.04 7.19 5.95 1gc1G1 ASN 339 H 0.16 0.39 -0.15 -0.55 8.53 8.39 1gc1G1 ASN 339 HA 0.22 0.09 0.51 -0.75 4.76 4.83 1gc1G1 ASN 339 HB2 0.18 0.18 0.19 -0.04 2.88 3.39 1gc1G1 ASN 339 HB3 0.16 0.00 0.19 -0.04 2.79 3.10 1gc1G1 ASN 339 HD21 0.14 -0.01 0.04 -0.04 7.03 7.16 1gc1G1 ASN 339 HD22 0.31 0.05 0.05 -0.04 7.74 8.11 1gc1G1 ASN 340 H -0.00 0.41 -0.28 -0.55 8.53 8.11 1gc1G1 ASN 340 HA -0.04 0.04 0.43 -0.75 4.76 4.44 1gc1G1 ASN 340 HB2 -0.01 0.05 0.10 -0.04 2.88 2.99 1gc1G1 ASN 340 HB3 -0.07 0.14 0.13 -0.04 2.79 2.96 1gc1G1 ASN 340 HD21 -0.02 -0.00 -0.01 -0.04 7.03 6.96 1gc1G1 ASN 340 HD22 0.00 -0.00 0.02 -0.04 7.74 7.72 1gc1G1 THR 341 H -0.27 0.37 -0.07 -0.55 8.28 7.76 1gc1G1 THR 341 HA -0.29 0.00 0.38 -0.75 4.39 3.73 1gc1G1 THR 341 HB -0.39 -0.06 0.05 -0.04 4.32 3.87 1gc1G1 THR 341 HG23 -0.22 0.08 0.06 -0.04 1.22 1.10 1gc1G1 LEU 342 H -0.53 0.33 -0.59 -0.55 8.37 7.04 1gc1G1 LEU 342 HA -0.71 0.03 0.41 -0.75 4.35 3.32 1gc1G1 LEU 342 HB2 -0.25 0.23 0.18 -0.04 1.64 1.76 1gc1G1 LEU 342 HB3 -0.40 -0.05 -0.04 -0.04 1.64 1.11 1gc1G1 LEU 342 HG -1.30 0.06 0.03 -0.04 1.64 0.39 1gc1G1 LEU 342 HD13 0.40 -0.01 0.01 -0.04 0.93 1.29 1gc1G1 LEU 342 HD23 -0.86 -0.00 -0.02 -0.04 0.89 -0.03 1gc1G1 LYS 343 H -0.73 0.43 -0.06 -0.55 8.42 7.51 1gc1G1 LYS 343 HA -1.21 0.04 0.43 -0.75 4.32 2.83 1gc1G1 LYS 343 HB2 -0.22 -0.03 0.11 -0.04 1.87 1.69 1gc1G1 LYS 343 HB3 -0.61 0.02 0.14 -0.04 1.79 1.30 1gc1G1 LYS 343 HG2 -0.17 0.09 0.18 -0.04 1.46 1.53 1gc1G1 LYS 343 HG3 -0.21 0.03 -0.18 -0.04 1.46 1.07 1gc1G1 LYS 343 HD2 0.13 -0.02 0.03 -0.04 1.69 1.78 1gc1G1 LYS 343 HD3 0.00 -0.03 0.00 -0.04 1.68 1.61 1gc1G1 LYS 343 HE2 0.02 -0.01 0.01 -0.04 2.99 2.97 1gc1G1 LYS 343 HE3 0.04 -0.03 -0.00 -0.04 2.99 2.96 1gc1G1 GLN 344 H -0.39 0.29 -0.47 -0.55 8.47 7.35 1gc1G1 GLN 344 HA -0.22 0.08 0.52 -0.75 4.36 3.99 1gc1G1 GLN 344 HB2 -0.26 0.13 0.17 -0.04 2.15 2.15 1gc1G1 GLN 344 HB3 -0.19 -0.06 0.02 -0.04 2.02 1.75 1gc1G1 GLN 344 HG2 -0.14 -0.01 0.01 -0.04 2.40 2.22 1gc1G1 GLN 344 HG3 -0.19 0.29 0.03 -0.04 2.39 2.48 1gc1G1 GLN 344 HE21 -0.08 -0.03 -0.04 -0.04 6.97 6.78 1gc1G1 GLN 344 HE22 -0.09 0.02 -0.05 -0.04 7.69 7.53 1gc1G1 ILE 345 H -0.34 0.62 -0.04 -0.55 8.25 7.95 1gc1G1 ILE 345 HA -0.22 0.01 0.23 -0.75 4.18 3.44 1gc1G1 ILE 345 HB -0.22 0.13 0.06 -0.04 1.89 1.82 1gc1G1 ILE 345 HG12 -0.20 -0.08 -0.09 -0.04 1.49 1.07 1gc1G1 ILE 345 HG13 -0.32 0.35 0.11 -0.04 1.21 1.31 1gc1G1 ILE 345 HG23 -0.11 -0.03 -0.17 -0.04 0.93 0.57 1gc1G1 ILE 345 HD13 -0.33 -0.03 -0.16 -0.04 0.88 0.32 1gc1G1 ALA 346 H -0.40 0.43 -0.44 -0.55 8.40 7.45 1gc1G1 ALA 346 HA -0.35 -0.07 0.36 -0.75 4.34 3.52 1gc1G1 ALA 346 HB3 -0.53 0.03 0.06 -0.04 1.41 0.93 1gc1G1 SER 347 H -0.30 0.36 -0.60 -0.55 8.46 7.38 1gc1G1 SER 347 HA -0.22 0.07 0.38 -0.75 4.49 3.96 1gc1G1 SER 347 HB2 -0.30 0.16 0.20 -0.04 3.95 3.98 1gc1G1 SER 347 HB3 -0.29 -0.08 0.23 -0.04 3.93 3.75 1gc1G1 LYS 348 H -0.30 0.12 -0.79 -0.55 8.42 6.90 1gc1G1 LYS 348 HA -0.35 -0.06 0.25 -0.75 4.32 3.41 1gc1G1 LYS 348 HB2 -0.27 -0.15 0.17 -0.04 1.87 1.57 1gc1G1 LYS 348 HB3 -1.02 0.29 0.20 -0.04 1.79 1.22 1gc1G1 LYS 348 HG2 -0.34 0.11 -0.44 -0.04 1.46 0.75 1gc1G1 LYS 348 HG3 -0.22 -0.08 -0.23 -0.04 1.46 0.90 1gc1G1 LYS 348 HD2 -0.32 0.04 -0.10 -0.04 1.69 1.28 1gc1G1 LYS 348 HD3 -0.17 -0.09 -0.22 -0.04 1.68 1.16 1gc1G1 LYS 348 HE2 -0.04 -0.14 -0.10 -0.04 2.99 2.67 1gc1G1 LYS 348 HE3 -0.07 -0.11 -0.04 -0.04 2.99 2.72 1gc1G1 LEU 349 H -0.25 0.22 0.08 -0.55 8.37 7.87 1gc1G1 LEU 349 HA -0.21 0.08 0.26 -0.75 4.35 3.73 1gc1G1 LEU 349 HB2 -0.35 0.06 0.09 -0.04 1.64 1.41 1gc1G1 LEU 349 HB3 -0.94 -0.04 0.00 -0.04 1.64 0.62 1gc1G1 LEU 349 HG -0.43 0.36 0.00 -0.04 1.64 1.53 1gc1G1 LEU 349 HD13 -1.06 -0.01 -0.14 -0.04 0.93 -0.31 1gc1G1 LEU 349 HD23 -0.62 -0.02 -0.10 -0.04 0.89 0.12 1gc1G1 ARG 350 H 0.16 0.16 0.08 -0.55 8.46 8.31 1gc1G1 ARG 350 HA 0.20 0.04 0.35 -0.75 4.34 4.17 1gc1G1 ARG 350 HB2 0.46 -0.00 0.06 -0.04 1.90 2.38 1gc1G1 ARG 350 HB3 0.25 -0.02 -0.06 -0.04 1.80 1.93 1gc1G1 ARG 350 HG2 0.23 0.01 0.08 -0.04 1.67 1.95 1gc1G1 ARG 350 HG3 0.12 0.02 0.01 -0.04 1.67 1.78 1gc1G1 ARG 350 HD2 0.05 -0.08 -0.12 -0.04 3.22 3.03 1gc1G1 ARG 350 HD3 0.08 0.03 -0.86 -0.04 3.22 2.43 1gc1G1 GLU 351 H 0.11 0.18 0.05 -0.55 8.60 8.39 1gc1G1 GLU 351 HA 0.03 -0.01 0.41 -0.75 4.29 3.97 1gc1G1 GLU 351 HB2 0.05 0.01 0.03 -0.04 2.09 2.15 1gc1G1 GLU 351 HB3 0.03 -0.05 -0.03 -0.04 1.99 1.89 1gc1G1 GLU 351 HG2 0.02 -0.02 -0.03 -0.04 2.34 2.27 1gc1G1 GLU 351 HG3 0.03 0.03 0.02 -0.04 2.34 2.38 1gc1G1 GLN 352 H -0.03 0.30 -0.82 -0.55 8.47 7.37 1gc1G1 GLN 352 HA -0.19 0.02 0.10 -0.75 4.36 3.54 1gc1G1 GLN 352 HB2 -0.08 0.34 0.48 -0.04 2.15 2.86 1gc1G1 GLN 352 HB3 -0.14 -0.05 0.12 -0.04 2.02 1.91 1gc1G1 GLN 352 HG2 -0.20 0.30 -0.21 -0.04 2.40 2.25 1gc1G1 GLN 352 HG3 -0.25 -0.10 -0.04 -0.04 2.39 1.96 1gc1G1 GLN 352 HE21 -1.83 -0.02 -0.06 -0.04 6.97 5.02 1gc1G1 GLN 352 HE22 -0.63 -0.02 -0.03 -0.04 7.69 6.97 1gc1G1 PHE 353 H -0.04 0.55 -0.05 -0.55 8.34 8.26 1gc1G1 PHE 353 HA -0.07 0.05 0.31 -0.75 4.62 4.15 1gc1G1 PHE 353 HB2 -0.09 -0.08 -0.17 -0.04 3.15 2.77 1gc1G1 PHE 353 HB3 -0.06 0.10 0.19 -0.04 3.06 3.24 1gc1G1 PHE 353 HD2 -0.05 -0.02 0.05 -0.04 7.28 7.22 1gc1G1 PHE 353 HE2 -0.04 -0.05 0.03 -0.04 7.38 7.28 1gc1G1 PHE 353 HZ -0.04 -0.08 0.04 -0.04 7.32 7.21 1gc1G1 GLY 354 H 0.03 -0.06 -0.65 -0.55 8.43 7.20 1gc1G1 GLY 354 HA2 0.05 0.07 0.02 -0.51 4.01 3.64 1gc1G1 GLY 354 HA3 0.04 -0.05 0.02 -0.51 4.01 3.51 1gc1G1 ASN 355 H 0.05 0.09 0.09 -0.55 8.53 8.22 1gc1G1 ASN 355 HA 0.08 0.11 0.41 -0.75 4.76 4.60 1gc1G1 ASN 355 HB2 0.03 -0.03 0.10 -0.04 2.88 2.94 1gc1G1 ASN 355 HB3 0.03 -0.02 0.06 -0.04 2.79 2.82 1gc1G1 ASN 355 HD21 0.00 -0.01 0.03 -0.04 7.03 7.02 1gc1G1 ASN 355 HD22 0.01 -0.02 0.03 -0.04 7.74 7.72 1gc1G1 ASN 356 H 0.05 0.03 -0.34 -0.55 8.53 7.72 1gc1G1 ASN 356 HA 0.06 0.10 0.16 -0.75 4.76 4.33 1gc1G1 ASN 356 HB2 0.05 0.26 -0.06 -0.04 2.88 3.09 1gc1G1 ASN 356 HB3 0.05 -0.08 -0.12 -0.04 2.79 2.60 1gc1G1 ASN 356 HD21 0.07 -0.08 0.06 -0.04 7.03 7.04 1gc1G1 ASN 356 HD22 0.05 0.03 0.08 -0.04 7.74 7.86 1gc1G1 LYS 357 H 0.10 0.36 0.21 -0.55 8.42 8.54 1gc1G1 LYS 357 HA 0.11 0.03 0.42 -0.75 4.32 4.13 1gc1G1 LYS 357 HB2 0.06 0.24 0.19 -0.04 1.87 2.31 1gc1G1 LYS 357 HB3 0.05 0.14 -0.04 -0.04 1.79 1.91 1gc1G1 LYS 357 HG2 0.05 -0.13 -0.35 -0.04 1.46 0.99 1gc1G1 LYS 357 HG3 0.06 0.04 -0.56 -0.04 1.46 0.96 1gc1G1 LYS 357 HD2 0.06 -0.16 -0.22 -0.04 1.69 1.33 1gc1G1 LYS 357 HD3 0.04 0.06 -0.38 -0.04 1.68 1.36 1gc1G1 LYS 357 HE2 0.04 0.02 -0.13 -0.04 2.99 2.88 1gc1G1 LYS 357 HE3 0.04 -0.12 -0.15 -0.04 2.99 2.71 1gc1G1 THR 358 H 0.10 0.73 0.38 -0.55 8.28 8.95 1gc1G1 THR 358 HA -0.06 0.12 0.84 -0.75 4.39 4.53 1gc1G1 THR 358 HB -0.01 -0.10 0.16 -0.04 4.32 4.33 1gc1G1 THR 358 HG23 -0.49 -0.00 -0.03 -0.04 1.22 0.66 1gc1G1 ILE 359 H -0.11 0.44 0.12 -0.55 8.25 8.14 1gc1G1 ILE 359 HA 0.04 0.16 0.98 -0.75 4.18 4.61 1gc1G1 ILE 359 HB -0.07 0.02 0.03 -0.04 1.89 1.83 1gc1G1 ILE 359 HG12 -0.18 0.01 0.05 -0.04 1.49 1.33 1gc1G1 ILE 359 HG13 0.12 -0.01 -0.00 -0.04 1.21 1.27 1gc1G1 ILE 359 HG23 -0.44 -0.02 -0.20 -0.04 0.93 0.23 1gc1G1 ILE 359 HD13 0.01 -0.01 -0.30 -0.04 0.88 0.54 1gc1G1 ILE 360 H 0.01 0.72 0.33 -0.55 8.25 8.75 1gc1G1 ILE 360 HA -0.00 0.20 1.20 -0.75 4.18 4.82 1gc1G1 ILE 360 HB -0.02 -0.09 0.00 -0.04 1.89 1.74 1gc1G1 ILE 360 HG12 -0.09 0.04 -0.11 -0.04 1.49 1.28 1gc1G1 ILE 360 HG13 -0.07 -0.08 -0.45 -0.04 1.21 0.57 1gc1G1 ILE 360 HG23 0.03 0.02 -0.12 -0.04 0.93 0.82 1gc1G1 ILE 360 HD13 -0.04 -0.01 -0.13 -0.04 0.88 0.66 1gc1G1 PHE 361 H 0.25 0.63 0.27 -0.55 8.34 8.95 1gc1G1 PHE 361 HA 0.29 0.30 1.05 -0.75 4.62 5.50 1gc1G1 PHE 361 HB2 0.35 -0.10 0.16 -0.04 3.15 3.52 1gc1G1 PHE 361 HB3 0.38 0.03 0.05 -0.04 3.06 3.48 1gc1G1 PHE 361 HD2 0.59 0.09 -0.04 -0.04 7.28 7.88 1gc1G1 PHE 361 HE2 -0.37 0.01 -0.13 -0.04 7.38 6.85 1gc1G1 PHE 361 HZ -0.33 -0.02 -0.18 -0.04 7.32 6.75 1gc1G1 LYS 362 H 0.29 0.32 0.13 -0.55 8.42 8.61 1gc1G1 LYS 362 HA 0.19 0.14 0.81 -0.75 4.32 4.70 1gc1G1 LYS 362 HB2 0.10 -0.05 -0.05 -0.04 1.87 1.83 1gc1G1 LYS 362 HB3 0.09 -0.01 0.16 -0.04 1.79 1.99 1gc1G1 LYS 362 HG2 0.08 0.04 0.03 -0.04 1.46 1.57 1gc1G1 LYS 362 HG3 0.08 -0.08 -0.20 -0.04 1.46 1.22 1gc1G1 LYS 362 HD2 0.04 0.02 -0.04 -0.04 1.69 1.67 1gc1G1 LYS 362 HD3 0.04 0.01 -0.00 -0.04 1.68 1.68 1gc1G1 LYS 362 HE2 0.01 -0.05 -0.07 -0.04 2.99 2.83 1gc1G1 LYS 362 HE3 0.01 -0.01 -0.04 -0.04 2.99 2.90 1gc1G1 GLN 363 H 0.12 0.05 0.20 -0.55 8.47 8.29 1gc1G1 GLN 363 HA 0.13 0.21 1.12 -0.75 4.36 5.07 1gc1G1 GLN 363 HB2 0.15 0.08 0.14 -0.04 2.15 2.48 1gc1G1 GLN 363 HB3 0.10 0.03 0.09 -0.04 2.02 2.20 1gc1G1 GLN 363 HG2 0.25 0.08 0.12 -0.04 2.40 2.81 1gc1G1 GLN 363 HG3 0.26 -0.04 -0.14 -0.04 2.39 2.42 1gc1G1 GLN 363 HE21 0.09 0.18 0.10 -0.04 6.97 7.30 1gc1G1 GLN 363 HE22 0.10 -0.01 0.04 -0.04 7.69 7.78 1gc1G1 SER 364 H 0.04 0.12 0.16 -0.55 8.46 8.23 1gc1G1 SER 364 HA 0.01 0.03 0.34 -0.75 4.49 4.11 1gc1G1 SER 364 HB2 0.01 0.11 0.15 -0.04 3.95 4.18 1gc1G1 SER 364 HB3 0.04 -0.01 0.06 -0.04 3.93 3.97 1gc1G1 SER 365 H 0.01 0.11 0.17 -0.55 8.46 8.21 1gc1G1 SER 365 HA 0.02 0.12 0.55 -0.75 4.49 4.42 1gc1G1 SER 365 HB2 0.01 -0.00 0.07 -0.04 3.95 3.98 1gc1G1 SER 365 HB3 0.01 -0.03 0.03 -0.04 3.93 3.90 1gc1G1 GLY 366 H 0.02 0.17 0.02 -0.55 8.43 8.09 1gc1G1 GLY 366 HA2 0.03 0.09 0.19 -0.51 4.01 3.81 1gc1G1 GLY 366 HA3 0.02 0.10 0.56 -0.51 4.01 4.17 1gc1G1 GLY 367 H 0.02 0.15 0.11 -0.55 8.43 8.17 1gc1G1 GLY 367 HA2 0.02 0.00 0.31 -0.51 4.01 3.84 1gc1G1 GLY 367 HA3 0.02 0.21 0.88 -0.51 4.01 4.61 1gc1G1 ASP 368 H 0.03 0.11 0.11 -0.55 8.40 8.11 1gc1G1 ASP 368 HA 0.04 0.12 0.34 -0.75 4.63 4.38 1gc1G1 ASP 368 HB2 0.05 0.00 0.08 -0.04 2.71 2.81 1gc1G1 ASP 368 HB3 0.08 -0.09 0.05 -0.04 2.70 2.70 1gc1G1 PRO 369 HA 0.13 0.14 0.41 -0.51 4.44 4.60 1gc1G1 PRO 369 HB2 0.20 0.01 0.07 -0.04 2.28 2.53 1gc1G1 PRO 369 HB3 0.02 0.08 0.06 -0.04 2.02 2.14 1gc1G1 PRO 369 HG2 -0.05 0.08 0.09 -0.04 2.03 2.11 1gc1G1 PRO 369 HG3 0.00 0.09 0.08 -0.04 2.03 2.15 1gc1G1 PRO 369 HD2 0.08 0.05 0.23 -0.04 3.68 4.00 1gc1G1 PRO 369 HD3 0.03 0.12 0.22 -0.04 3.65 3.98 1gc1G1 GLU 370 H 0.23 0.09 -0.13 -0.55 8.60 8.24 1gc1G1 GLU 370 HA -0.01 0.10 0.30 -0.75 4.29 3.92 1gc1G1 GLU 370 HB2 0.10 -0.02 -0.06 -0.04 2.09 2.06 1gc1G1 GLU 370 HB3 0.05 0.03 -0.01 -0.04 1.99 2.01 1gc1G1 GLU 370 HG2 0.16 0.15 -0.00 -0.04 2.34 2.61 1gc1G1 GLU 370 HG3 0.24 0.03 -0.01 -0.04 2.34 2.56 1gc1G1 ILE 371 H 0.08 0.05 -0.65 -0.55 8.25 7.18 1gc1G1 ILE 371 HA 0.03 0.10 0.49 -0.75 4.18 4.05 1gc1G1 ILE 371 HB 0.04 0.01 -0.09 -0.04 1.89 1.81 1gc1G1 ILE 371 HG12 0.04 -0.12 -0.10 -0.04 1.49 1.28 1gc1G1 ILE 371 HG13 0.02 0.00 -0.02 -0.04 1.21 1.17 1gc1G1 ILE 371 HG23 0.02 0.01 -0.25 -0.04 0.93 0.67 1gc1G1 ILE 371 HD13 0.02 0.04 -0.27 -0.04 0.88 0.62 1gc1G1 VAL 372 H 0.07 0.51 -0.11 -0.55 8.24 8.17 1gc1G1 VAL 372 HA 0.04 0.02 0.40 -0.75 4.13 3.84 1gc1G1 VAL 372 HB 0.08 0.02 -0.02 -0.04 2.12 2.16 1gc1G1 VAL 372 HG13 0.06 -0.03 -0.07 -0.04 0.97 0.88 1gc1G1 VAL 372 HG23 0.04 0.00 -0.30 -0.04 0.95 0.66 1gc1G1 THR 373 H 0.10 0.34 -0.38 -0.55 8.28 7.79 1gc1G1 THR 373 HA 0.13 0.08 0.83 -0.75 4.39 4.67 1gc1G1 THR 373 HB 0.15 0.10 -0.43 -0.04 4.32 4.10 1gc1G1 THR 373 HG23 0.14 -0.03 -0.34 -0.04 1.22 0.94 1gc1G1 HIS 374 H 0.23 0.44 0.12 -0.55 8.41 8.65 1gc1G1 HIS 374 HA 0.09 0.16 0.45 -0.75 4.63 4.57 1gc1G1 HIS 374 HB2 0.11 0.00 0.05 -0.04 3.26 3.38 1gc1G1 HIS 374 HB3 0.15 -0.03 0.14 -0.04 3.20 3.42 1gc1G1 HIS 374 HD2 0.00 -0.06 -0.10 -0.04 6.97 6.77 1gc1G1 HIS 374 HE1 -0.10 0.06 -0.10 -0.04 7.75 7.56 1gc1G1 SER 375 H -0.05 0.45 0.28 -0.55 8.46 8.59 1gc1G1 SER 375 HA -0.42 0.39 0.82 -0.75 4.49 4.53 1gc1G1 SER 375 HB2 -0.21 -0.05 0.13 -0.04 3.95 3.78 1gc1G1 SER 375 HB3 -0.64 0.00 0.05 -0.04 3.93 3.30 1gc1G1 PHE 376 H -0.56 0.50 0.37 -0.55 8.34 8.10 1gc1G1 PHE 376 HA -0.07 0.15 0.60 -0.75 4.62 4.54 1gc1G1 PHE 376 HB2 -0.11 0.01 0.05 -0.04 3.15 3.06 1gc1G1 PHE 376 HB3 -0.30 0.09 -0.14 -0.04 3.06 2.67 1gc1G1 PHE 376 HD2 -0.65 0.08 -0.54 -0.04 7.28 6.13 1gc1G1 PHE 376 HE2 -0.37 -0.01 -0.16 -0.04 7.38 6.79 1gc1G1 PHE 376 HZ -0.19 -0.02 -0.20 -0.04 7.32 6.87 1gc1G1 ASN 377 H 0.16 0.29 0.13 -0.55 8.53 8.57 1gc1G1 ASN 377 HA -0.34 0.36 1.09 -0.75 4.76 5.11 1gc1G1 ASN 377 HB2 -0.24 -0.03 -0.03 -0.04 2.88 2.54 1gc1G1 ASN 377 HB3 0.01 -0.04 0.16 -0.04 2.79 2.88 1gc1G1 ASN 377 HD21 -0.91 0.55 -0.28 -0.04 7.03 6.35 1gc1G1 ASN 377 HD22 -2.39 -0.10 -0.25 -0.04 7.74 4.96 1gc1G1 CYS 378 H -0.09 0.44 0.09 -0.55 8.50 8.38 1gc1G1 CYS 378 HA -0.02 0.14 0.86 -0.75 4.58 4.80 1gc1G1 CYS 378 HB2 -0.04 0.01 -0.15 -0.04 2.97 2.75 1gc1G1 CYS 378 HB3 -1.16 0.02 -0.06 -0.04 2.97 1.73 1gc1G1 GLY 379 H -0.04 0.23 0.11 -0.55 8.43 8.19 1gc1G1 GLY 379 HA2 -0.02 0.10 0.33 -0.51 4.01 3.91 1gc1G1 GLY 379 HA3 0.01 -0.03 0.34 -0.51 4.01 3.82 1gc1G1 GLY 380 H -0.06 0.14 -0.48 -0.55 8.43 7.49 1gc1G1 GLY 380 HA2 -0.10 -0.08 0.32 -0.51 4.01 3.63 1gc1G1 GLY 380 HA3 -0.04 0.24 0.72 -0.51 4.01 4.42 1gc1G1 GLU 381 H 0.02 0.36 -0.54 -0.55 8.60 7.89 1gc1G1 GLU 381 HA -0.01 0.15 0.53 -0.75 4.29 4.21 1gc1G1 GLU 381 HB2 0.27 0.02 -0.03 -0.04 2.09 2.31 1gc1G1 GLU 381 HB3 0.01 -0.01 -0.01 -0.04 1.99 1.94 1gc1G1 GLU 381 HG2 0.06 0.10 -0.02 -0.04 2.34 2.44 1gc1G1 GLU 381 HG3 0.05 -0.09 0.00 -0.04 2.34 2.26 1gc1G1 PHE 382 H 0.19 0.24 0.14 -0.55 8.34 8.36 1gc1G1 PHE 382 HA 0.00 0.23 0.96 -0.75 4.62 5.05 1gc1G1 PHE 382 HB2 0.06 0.20 0.20 -0.04 3.15 3.57 1gc1G1 PHE 382 HB3 0.18 -0.04 -0.03 -0.04 3.06 3.12 1gc1G1 PHE 382 HD2 -0.09 0.02 -0.07 -0.04 7.28 7.10 1gc1G1 PHE 382 HE2 -0.31 -0.00 -0.11 -0.04 7.38 6.92 1gc1G1 PHE 382 HZ 0.26 -0.02 -0.09 -0.04 7.32 7.43 1gc1G1 PHE 383 H -0.18 0.55 0.35 -0.55 8.34 8.51 1gc1G1 PHE 383 HA -0.10 0.22 0.76 -0.75 4.62 4.75 1gc1G1 PHE 383 HB2 -1.93 0.00 0.05 -0.04 3.15 1.23 1gc1G1 PHE 383 HB3 -0.56 -0.01 -0.15 -0.04 3.06 2.30 1gc1G1 PHE 383 HD2 -0.13 0.01 -0.31 -0.04 7.28 6.81 1gc1G1 PHE 383 HE2 -0.02 0.21 -0.29 -0.04 7.38 7.24 1gc1G1 PHE 383 HZ -0.01 -0.12 -0.44 -0.04 7.32 6.72 1gc1G1 TYR 384 H 0.12 0.49 0.18 -0.55 8.29 8.53 1gc1G1 TYR 384 HA 0.01 0.14 0.59 -0.75 4.56 4.54 1gc1G1 TYR 384 HB2 -0.01 0.04 0.13 -0.04 3.06 3.18 1gc1G1 TYR 384 HB3 0.02 -0.01 -0.04 -0.04 2.98 2.91 1gc1G1 TYR 384 HD2 0.01 0.08 -0.34 -0.04 7.15 6.86 1gc1G1 TYR 384 HE2 0.05 -0.09 -0.22 -0.04 6.85 6.55 1gc1G1 CYS 385 H 0.13 0.46 -0.22 -0.55 8.50 8.32 1gc1G1 CYS 385 HA 0.18 0.17 0.88 -0.75 4.58 5.06 1gc1G1 CYS 385 HB2 0.43 0.18 0.05 -0.04 2.97 3.58 1gc1G1 CYS 385 HB3 0.26 -0.01 -0.16 -0.04 2.97 3.01 1gc1G1 ASN 386 H 0.12 0.75 0.31 -0.55 8.53 9.16 1gc1G1 ASN 386 HA 0.11 0.01 0.51 -0.75 4.76 4.64 1gc1G1 ASN 386 HB2 0.08 0.02 0.08 -0.04 2.88 3.02 1gc1G1 ASN 386 HB3 0.08 0.15 0.27 -0.04 2.79 3.24 1gc1G1 ASN 386 HD21 0.05 -0.01 0.02 -0.04 7.03 7.04 1gc1G1 ASN 386 HD22 0.05 0.04 0.05 -0.04 7.74 7.84 1gc1G1 SER 387 H 0.13 0.23 0.25 -0.55 8.46 8.52 1gc1G1 SER 387 HA 0.02 0.26 0.94 -0.75 4.49 4.96 1gc1G1 SER 387 HB2 0.11 -0.05 0.15 -0.04 3.95 4.13 1gc1G1 SER 387 HB3 0.14 0.06 -0.03 -0.04 3.93 4.07 1gc1G1 THR 388 H 0.08 0.16 -0.12 -0.55 8.28 7.86 1gc1G1 THR 388 HA 0.14 0.09 0.29 -0.75 4.39 4.16 1gc1G1 THR 388 HB 0.05 0.00 0.03 -0.04 4.32 4.37 1gc1G1 THR 388 HG23 0.07 0.02 -0.05 -0.04 1.22 1.22 1gc1G1 GLN 389 H 0.00 0.07 -0.50 -0.55 8.47 7.50 1gc1G1 GLN 389 HA 0.01 0.13 0.34 -0.75 4.36 4.08 1gc1G1 GLN 389 HB2 -0.07 0.02 -0.08 -0.04 2.15 1.98 1gc1G1 GLN 389 HB3 -0.05 -0.01 0.02 -0.04 2.02 1.95 1gc1G1 GLN 389 HG2 -0.00 0.01 0.00 -0.04 2.40 2.37 1gc1G1 GLN 389 HG3 0.00 -0.09 -0.02 -0.04 2.39 2.24 1gc1G1 GLN 389 HE21 -0.01 0.76 0.30 -0.04 6.97 7.98 1gc1G1 GLN 389 HE22 -0.01 -0.11 0.11 -0.04 7.69 7.65 1gc1G1 LEU 390 H -0.17 0.60 -0.27 -0.55 8.37 7.98 1gc1G1 LEU 390 HA -0.45 0.13 0.78 -0.75 4.35 4.05 1gc1G1 LEU 390 HB2 -1.01 0.08 0.11 -0.04 1.64 0.77 1gc1G1 LEU 390 HB3 -2.11 -0.02 0.03 -0.04 1.64 -0.50 1gc1G1 LEU 390 HG -0.48 -0.06 -0.12 -0.04 1.64 0.94 1gc1G1 LEU 390 HD13 -0.70 -0.01 -0.06 -0.04 0.93 0.12 1gc1G1 LEU 390 HD23 -1.19 0.02 -0.09 -0.04 0.89 -0.42 1gc1G1 PHE 391 H 0.05 0.25 -0.19 -0.55 8.34 7.90 1gc1G1 PHE 391 HA 0.22 0.13 0.74 -0.75 4.62 4.96 1gc1G1 PHE 391 HB2 0.12 -0.10 0.07 -0.04 3.15 3.20 1gc1G1 PHE 391 HB3 0.20 0.23 0.09 -0.04 3.06 3.54 1gc1G1 PHE 391 HD2 0.04 0.04 -0.06 -0.04 7.28 7.27 1gc1G1 PHE 391 HE2 0.09 -0.03 -0.05 -0.04 7.38 7.35 1gc1G1 PHE 391 HZ 0.09 0.04 -0.03 -0.04 7.32 7.39 1gc1G1 ASN 392 H 0.23 0.19 -0.34 -0.55 8.53 8.06 1gc1G1 ASN 392 HA 0.19 0.18 0.64 -0.75 4.76 5.01 1gc1G1 ASN 392 HB2 0.13 0.18 -0.11 -0.04 2.88 3.03 1gc1G1 ASN 392 HB3 0.09 -0.04 0.07 -0.04 2.79 2.86 1gc1G1 ASN 392 HD21 0.03 -0.07 -0.02 -0.04 7.03 6.94 1gc1G1 ASN 392 HD22 0.04 -0.00 0.04 -0.04 7.74 7.78 1gc1G1 SER 393 H 0.25 0.75 0.40 -0.55 8.46 9.31 1gc1G1 SER 393 HA -0.05 0.07 0.56 -0.75 4.49 4.32 1gc1G1 SER 393 HB2 -0.35 -0.02 0.14 -0.04 3.95 3.68 1gc1G1 SER 393 HB3 0.05 0.15 -0.02 -0.04 3.93 4.07 1gc1G1 THR 394 H -0.45 0.25 0.24 -0.55 8.28 7.77 1gc1G1 THR 394 HA -0.12 0.20 1.04 -0.75 4.39 4.76 1gc1G1 THR 394 HB -0.24 -0.03 0.05 -0.04 4.32 4.07 1gc1G1 THR 394 HG23 -0.30 0.02 0.00 -0.04 1.22 0.90 1gc1G1 TRP 395 H -0.11 0.73 0.40 -0.55 7.97 8.45 1gc1G1 TRP 395 HA -0.13 0.10 0.73 -0.75 4.62 4.57 1gc1G1 TRP 395 HB2 -0.15 0.06 0.02 -0.04 3.23 3.12 1gc1G1 TRP 395 HB3 -0.04 -0.04 0.18 -0.04 3.23 3.30 1gc1G1 TRP 395 HD1 -0.16 0.13 -0.23 -0.04 7.22 6.91 1gc1G1 TRP 395 HE1 0.63 -0.00 -0.19 -0.04 10.20 10.59 1gc1G1 TRP 395 HE3 0.02 -0.01 0.07 -0.04 7.59 7.63 1gc1G1 TRP 395 HZ2 0.05 0.01 -0.00 -0.04 7.44 7.46 1gc1G1 TRP 395 HZ3 0.01 -0.03 0.06 -0.04 7.13 7.13 1gc1G1 TRP 395 HH2 -0.00 0.06 0.12 -0.04 7.19 7.32 1gc1G1 PHE 396 H 0.34 0.21 0.11 -0.55 8.34 8.45 1gc1G1 PHE 396 HA 0.08 0.23 0.83 -0.75 4.62 5.00 1gc1G1 PHE 396 HB2 0.07 0.00 0.05 -0.04 3.15 3.23 1gc1G1 PHE 396 HB3 0.05 0.04 0.02 -0.04 3.06 3.12 1gc1G1 PHE 396 HD2 0.05 -0.01 -0.14 -0.04 7.28 7.14 1gc1G1 PHE 396 HE2 0.00 -0.01 -0.08 -0.04 7.38 7.26 1gc1G1 PHE 396 HZ -0.00 -0.02 -0.07 -0.04 7.32 7.19 1gc1G1 GLY 410 HA2 0.01 0.01 0.21 -0.51 4.01 3.73 1gc1G1 GLY 410 HA3 0.00 -0.03 0.18 -0.51 4.01 3.65 1gc1G1 SER 411 H 0.00 0.15 -0.03 -0.55 8.46 8.04 1gc1G1 SER 411 HA 0.00 0.18 0.80 -0.75 4.49 4.71 1gc1G1 SER 411 HB2 0.00 0.02 -0.11 -0.04 3.95 3.83 1gc1G1 SER 411 HB3 -0.00 -0.01 0.14 -0.04 3.93 4.02 1gc1G1 ASP 412 H 0.01 0.22 -0.13 -0.55 8.40 7.94 1gc1G1 ASP 412 HA -0.00 0.09 0.57 -0.75 4.63 4.53 1gc1G1 ASP 412 HB2 0.01 -0.04 0.15 -0.04 2.71 2.78 1gc1G1 ASP 412 HB3 0.01 0.05 -0.00 -0.04 2.70 2.71 1gc1G1 THR 413 H -0.01 0.24 0.25 -0.55 8.28 8.21 1gc1G1 THR 413 HA -0.01 -0.03 1.01 -0.75 4.39 4.61 1gc1G1 THR 413 HB -0.02 0.02 -0.17 -0.04 4.32 4.11 1gc1G1 THR 413 HG23 -0.01 -0.00 -0.21 -0.04 1.22 0.96 1gc1G1 ILE 414 H -0.03 0.76 0.25 -0.55 8.25 8.69 1gc1G1 ILE 414 HA -0.04 0.10 0.72 -0.75 4.18 4.20 1gc1G1 ILE 414 HB -0.12 0.01 0.21 -0.04 1.89 1.95 1gc1G1 ILE 414 HG12 -0.02 0.02 -0.00 -0.04 1.49 1.45 1gc1G1 ILE 414 HG13 -0.01 -0.13 -0.02 -0.04 1.21 1.01 1gc1G1 ILE 414 HG23 -0.14 0.02 -0.21 -0.04 0.93 0.56 1gc1G1 ILE 414 HD13 -0.03 0.04 -0.03 -0.04 0.88 0.82 1gc1G1 THR 415 H -0.03 0.22 0.18 -0.55 8.28 8.10 1gc1G1 THR 415 HA -0.02 0.11 0.76 -0.75 4.39 4.48 1gc1G1 THR 415 HB -0.03 -0.01 0.16 -0.04 4.32 4.40 1gc1G1 THR 415 HG23 -0.03 -0.01 -0.20 -0.04 1.22 0.94 1gc1G1 LEU 416 H 0.03 0.73 0.36 -0.55 8.37 8.95 1gc1G1 LEU 416 HA 0.02 0.18 0.95 -0.75 4.35 4.75 1gc1G1 LEU 416 HB2 0.01 0.14 0.17 -0.04 1.64 1.92 1gc1G1 LEU 416 HB3 0.07 -0.03 -0.07 -0.04 1.64 1.57 1gc1G1 LEU 416 HG -0.00 0.34 0.03 -0.04 1.64 1.97 1gc1G1 LEU 416 HD13 -0.11 -0.01 -0.20 -0.04 0.93 0.56 1gc1G1 LEU 416 HD23 -0.11 -0.03 -0.14 -0.04 0.89 0.57 1gc1G1 PRO 417 HA 0.10 0.15 0.67 -0.51 4.44 4.85 1gc1G1 PRO 417 HB2 0.06 -0.06 0.09 -0.04 2.28 2.32 1gc1G1 PRO 417 HB3 0.06 0.05 0.13 -0.04 2.02 2.22 1gc1G1 PRO 417 HG2 0.04 -0.01 0.12 -0.04 2.03 2.14 1gc1G1 PRO 417 HG3 0.04 0.05 0.08 -0.04 2.03 2.16 1gc1G1 PRO 417 HD2 0.05 0.17 0.34 -0.04 3.68 4.20 1gc1G1 PRO 417 HD3 0.03 0.22 0.30 -0.04 3.65 4.16 1gc1G1 CYS 418 H 0.09 0.91 0.50 -0.55 8.50 9.45 1gc1G1 CYS 418 HA 0.13 0.12 0.90 -0.75 4.58 4.98 1gc1G1 CYS 418 HB2 0.20 0.01 -0.51 -0.04 2.97 2.63 1gc1G1 CYS 418 HB3 0.15 -0.09 -0.44 -0.04 2.97 2.55 1gc1G1 ARG 419 H 0.06 0.21 0.07 -0.55 8.46 8.25 1gc1G1 ARG 419 HA -0.08 0.15 0.80 -0.75 4.34 4.46 1gc1G1 ARG 419 HB2 0.00 0.04 -0.16 -0.04 1.90 1.75 1gc1G1 ARG 419 HB3 0.02 -0.02 0.02 -0.04 1.80 1.78 1gc1G1 ARG 419 HG2 -0.07 0.05 -0.26 -0.04 1.67 1.35 1gc1G1 ARG 419 HG3 -0.05 0.02 0.08 -0.04 1.67 1.68 1gc1G1 ARG 419 HD2 -0.03 -0.00 -0.03 -0.04 3.22 3.11 1gc1G1 ARG 419 HD3 -0.08 -0.04 -0.08 -0.04 3.22 2.98 1gc1G1 ILE 420 H -0.17 0.21 0.14 -0.55 8.25 7.88 1gc1G1 ILE 420 HA -0.18 0.46 0.96 -0.75 4.18 4.66 1gc1G1 ILE 420 HB -0.17 -0.02 0.20 -0.04 1.89 1.86 1gc1G1 ILE 420 HG12 -1.20 -0.02 -0.16 -0.04 1.49 0.06 1gc1G1 ILE 420 HG13 -0.49 -0.08 -0.01 -0.04 1.21 0.59 1gc1G1 ILE 420 HG23 -0.14 0.01 -0.09 -0.04 0.93 0.68 1gc1G1 ILE 420 HD13 -0.28 -0.01 0.09 -0.04 0.88 0.64 1gc1G1 LYS 421 H 0.11 0.38 0.19 -0.55 8.42 8.55 1gc1G1 LYS 421 HA -0.08 0.13 0.87 -0.75 4.32 4.49 1gc1G1 LYS 421 HB2 -0.28 0.01 -0.05 -0.04 1.87 1.52 1gc1G1 LYS 421 HB3 -0.22 -0.00 0.05 -0.04 1.79 1.57 1gc1G1 LYS 421 HG2 -0.23 0.02 -0.13 -0.04 1.46 1.07 1gc1G1 LYS 421 HG3 -0.39 0.03 -0.21 -0.04 1.46 0.85 1gc1G1 LYS 421 HD2 -1.47 -0.03 -0.05 -0.04 1.69 0.09 1gc1G1 LYS 421 HD3 -0.42 0.03 0.01 -0.04 1.68 1.25 1gc1G1 LYS 421 HE2 -0.23 0.01 -0.07 -0.04 2.99 2.66 1gc1G1 LYS 421 HE3 -0.45 0.01 -0.07 -0.04 2.99 2.43 1gc1G1 GLN 422 H -0.03 0.04 0.19 -0.55 8.47 8.12 1gc1G1 GLN 422 HA 0.10 0.22 0.89 -0.75 4.36 4.81 1gc1G1 GLN 422 HB2 0.01 -0.08 0.13 -0.04 2.15 2.17 1gc1G1 GLN 422 HB3 0.06 0.14 0.09 -0.04 2.02 2.27 1gc1G1 GLN 422 HG2 0.05 0.14 -0.25 -0.04 2.40 2.31 1gc1G1 GLN 422 HG3 0.06 0.05 -0.23 -0.04 2.39 2.23 1gc1G1 GLN 422 HE21 -0.02 0.01 -0.00 -0.04 6.97 6.92 1gc1G1 GLN 422 HE22 0.00 0.01 -0.18 -0.04 7.69 7.47 1gc1G1 ILE 423 H -0.04 -0.00 0.17 -0.55 8.25 7.83 1gc1G1 ILE 423 HA -0.01 0.38 0.95 -0.75 4.18 4.74 1gc1G1 ILE 423 HB -0.05 -0.06 0.19 -0.04 1.89 1.92 1gc1G1 ILE 423 HG12 -0.03 -0.11 0.09 -0.04 1.49 1.41 1gc1G1 ILE 423 HG13 -0.03 0.00 0.04 -0.04 1.21 1.18 1gc1G1 ILE 423 HG23 -0.03 0.00 -0.10 -0.04 0.93 0.77 1gc1G1 ILE 423 HD13 -0.02 0.02 -0.04 -0.04 0.88 0.80 1gc1G1 ILE 424 H -0.01 0.65 0.34 -0.55 8.25 8.68 1gc1G1 ILE 424 HA -0.01 0.15 0.98 -0.75 4.18 4.54 1gc1G1 ILE 424 HB 0.01 0.07 -0.06 -0.04 1.89 1.86 1gc1G1 ILE 424 HG12 -0.08 0.14 -0.14 -0.04 1.49 1.38 1gc1G1 ILE 424 HG13 -0.02 -0.13 -0.13 -0.04 1.21 0.89 1gc1G1 ILE 424 HG23 -0.07 -0.01 -0.38 -0.04 0.93 0.43 1gc1G1 ILE 424 HD13 -0.68 0.00 -0.17 -0.04 0.88 -0.00 1gc1G1 ASN 425 H 0.06 0.09 0.17 -0.55 8.53 8.31 1gc1G1 ASN 425 HA 0.01 0.23 0.88 -0.75 4.76 5.13 1gc1G1 ASN 425 HB2 0.07 -0.11 0.17 -0.04 2.88 2.97 1gc1G1 ASN 425 HB3 0.03 0.11 0.13 -0.04 2.79 3.02 1gc1G1 ASN 425 HD21 0.02 0.03 0.07 -0.04 7.03 7.11 1gc1G1 ASN 425 HD22 0.06 -0.13 0.12 -0.04 7.74 7.75 1gc1G1 MET 426 H -0.01 0.58 0.15 -0.55 8.47 8.64 1gc1G1 MET 426 HA 0.01 0.07 0.46 -0.75 4.52 4.31 1gc1G1 MET 426 HB2 -0.09 0.15 0.11 -0.04 2.15 2.28 1gc1G1 MET 426 HB3 -0.22 -0.23 0.07 -0.04 2.03 1.61 1gc1G1 MET 426 HG2 -0.04 0.04 -0.15 -0.04 2.63 2.44 1gc1G1 MET 426 HG3 -0.04 0.04 -0.40 -0.04 2.56 2.12 1gc1G1 MET 426 HE3 -0.08 0.01 -0.07 -0.04 2.10 1.92 1gc1G1 TRP 427 H -0.19 0.08 0.17 -0.55 7.97 7.48 1gc1G1 TRP 427 HA -0.04 0.20 0.71 -0.75 4.62 4.74 1gc1G1 TRP 427 HB2 -0.09 0.01 0.09 -0.04 3.23 3.20 1gc1G1 TRP 427 HB3 -0.08 0.05 0.02 -0.04 3.23 3.17 1gc1G1 TRP 427 HD1 -0.21 0.05 -0.01 -0.04 7.22 7.01 1gc1G1 TRP 427 HE1 -2.20 0.06 -0.03 -0.04 10.20 7.98 1gc1G1 TRP 427 HE3 -0.01 -0.04 -0.20 -0.04 7.59 7.29 1gc1G1 TRP 427 HZ2 -1.33 0.07 -0.11 -0.04 7.44 6.04 1gc1G1 TRP 427 HZ3 -0.21 -0.04 -0.04 -0.04 7.13 6.81 1gc1G1 TRP 427 HH2 -0.11 -0.01 -0.17 -0.04 7.19 6.85 1gc1G1 GLN 428 H -1.00 -0.03 0.06 -0.55 8.47 6.95 1gc1G1 GLN 428 HA -1.10 0.05 0.41 -0.75 4.36 2.97 1gc1G1 GLN 428 HB2 -0.55 -0.06 0.10 -0.04 2.15 1.60 1gc1G1 GLN 428 HB3 -0.53 0.04 -0.03 -0.04 2.02 1.46 1gc1G1 GLN 428 HG2 -0.73 0.08 0.06 -0.04 2.40 1.77 1gc1G1 GLN 428 HG3 -2.57 -0.03 0.04 -0.04 2.39 -0.21 1gc1G1 GLN 428 HE21 0.13 0.08 -0.04 -0.04 6.97 7.10 1gc1G1 GLN 428 HE22 -0.09 0.06 0.02 -0.04 7.69 7.64 1gc1G1 LYS 429 H -0.24 0.16 -0.10 -0.55 8.42 7.68 1gc1G1 LYS 429 HA -0.06 0.16 0.52 -0.75 4.32 4.18 1gc1G1 LYS 429 HB2 -0.06 -0.00 0.04 -0.04 1.87 1.80 1gc1G1 LYS 429 HB3 -0.11 0.07 -0.24 -0.04 1.79 1.46 1gc1G1 LYS 429 HG2 -0.14 -0.12 -0.18 -0.04 1.46 0.99 1gc1G1 LYS 429 HG3 -0.08 0.05 -0.43 -0.04 1.46 0.97 1gc1G1 LYS 429 HD2 -0.07 0.01 -0.15 -0.04 1.69 1.44 1gc1G1 LYS 429 HD3 -0.07 0.04 -0.12 -0.04 1.68 1.48 1gc1G1 LYS 429 HE2 -0.14 0.01 -0.15 -0.04 2.99 2.66 1gc1G1 LYS 429 HE3 -0.14 -0.06 -0.12 -0.04 2.99 2.63 1gc1G1 VAL 430 H -0.03 0.15 0.06 -0.55 8.24 7.88 1gc1G1 VAL 430 HA -0.02 0.15 0.56 -0.75 4.13 4.07 1gc1G1 VAL 430 HB -0.01 -0.01 0.25 -0.04 2.12 2.30 1gc1G1 VAL 430 HG13 -0.01 -0.00 0.02 -0.04 0.97 0.93 1gc1G1 VAL 430 HG23 0.00 0.01 0.04 -0.04 0.95 0.96 1gc1G1 GLY 431 H -0.04 0.37 0.39 -0.55 8.43 8.61 1gc1G1 GLY 431 HA2 -0.03 0.17 0.92 -0.51 4.01 4.55 1gc1G1 GLY 431 HA3 -0.05 -0.02 0.30 -0.51 4.01 3.72 1gc1G1 LYS 432 H -0.04 0.71 0.44 -0.55 8.42 8.98 1gc1G1 LYS 432 HA -0.02 0.25 1.04 -0.75 4.32 4.84 1gc1G1 LYS 432 HB2 -0.02 -0.05 -0.05 -0.04 1.87 1.71 1gc1G1 LYS 432 HB3 -0.03 0.04 0.12 -0.04 1.79 1.88 1gc1G1 LYS 432 HG2 -0.03 -0.04 -0.05 -0.04 1.46 1.31 1gc1G1 LYS 432 HG3 -0.03 0.05 -0.03 -0.04 1.46 1.41 1gc1G1 LYS 432 HD2 -0.02 -0.04 -0.16 -0.04 1.69 1.42 1gc1G1 LYS 432 HD3 -0.02 0.24 -0.22 -0.04 1.68 1.64 1gc1G1 LYS 432 HE2 -0.01 -0.06 -0.09 -0.04 2.99 2.79 1gc1G1 LYS 432 HE3 -0.01 0.02 -0.04 -0.04 2.99 2.92 1gc1G1 ALA 433 H -0.02 0.57 0.39 -0.55 8.40 8.80 1gc1G1 ALA 433 HA -0.09 0.22 0.73 -0.75 4.34 4.44 1gc1G1 ALA 433 HB3 -0.08 -0.02 -0.06 -0.04 1.41 1.22 1gc1G1 MET 434 H -0.21 0.25 0.19 -0.55 8.47 8.16 1gc1G1 MET 434 HA 0.01 0.40 0.96 -0.75 4.52 5.14 1gc1G1 MET 434 HB2 -0.04 -0.05 -0.05 -0.04 2.15 1.96 1gc1G1 MET 434 HB3 -0.08 0.03 0.14 -0.04 2.03 2.08 1gc1G1 MET 434 HG2 -0.02 0.08 -0.36 -0.04 2.63 2.29 1gc1G1 MET 434 HG3 -0.00 -0.04 -0.09 -0.04 2.56 2.38 1gc1G1 MET 434 HE3 -0.03 0.00 -0.05 -0.04 2.10 1.98 1gc1G1 TYR 435 H 0.21 0.42 0.24 -0.55 8.29 8.61 1gc1G1 TYR 435 HA 0.02 0.15 0.95 -0.75 4.56 4.93 1gc1G1 TYR 435 HB2 0.10 0.02 0.09 -0.04 3.06 3.23 1gc1G1 TYR 435 HB3 0.09 0.05 0.10 -0.04 2.98 3.18 1gc1G1 TYR 435 HD2 0.00 0.13 -0.11 -0.04 7.15 7.13 1gc1G1 TYR 435 HE2 -0.03 0.02 -0.34 -0.04 6.85 6.46 1gc1G1 ALA 436 H 0.16 0.12 0.06 -0.55 8.40 8.19 1gc1G1 ALA 436 HA 0.05 0.05 0.45 -0.75 4.34 4.14 1gc1G1 ALA 436 HB3 0.06 0.01 0.04 -0.04 1.41 1.48 1gc1G1 PRO 437 HA 0.03 0.08 0.51 -0.51 4.44 4.55 1gc1G1 PRO 437 HB2 0.01 0.08 0.03 -0.04 2.28 2.36 1gc1G1 PRO 437 HB3 0.01 -0.00 0.13 -0.04 2.02 2.11 1gc1G1 PRO 437 HG2 0.01 -0.00 0.07 -0.04 2.03 2.07 1gc1G1 PRO 437 HG3 0.01 0.03 0.05 -0.04 2.03 2.08 1gc1G1 PRO 437 HD2 0.02 0.09 0.18 -0.04 3.68 3.93 1gc1G1 PRO 437 HD3 0.03 0.11 0.20 -0.04 3.65 3.95 1gc1G1 PRO 438 HA 0.02 0.05 0.43 -0.51 4.44 4.43 1gc1G1 PRO 438 HB2 -0.00 0.06 -0.01 -0.04 2.28 2.29 1gc1G1 PRO 438 HB3 0.01 -0.04 0.13 -0.04 2.02 2.07 1gc1G1 PRO 438 HG2 -0.04 0.03 0.07 -0.04 2.03 2.05 1gc1G1 PRO 438 HG3 -0.01 0.03 0.06 -0.04 2.03 2.07 1gc1G1 PRO 438 HD2 -0.01 0.09 0.17 -0.04 3.68 3.89 1gc1G1 PRO 438 HD3 -0.00 0.12 0.19 -0.04 3.65 3.92 1gc1G1 ILE 439 H 0.02 -0.09 0.23 -0.55 8.25 7.86 1gc1G1 ILE 439 HA 0.01 0.22 0.81 -0.75 4.18 4.46 1gc1G1 ILE 439 HB 0.01 -0.03 0.05 -0.04 1.89 1.88 1gc1G1 ILE 439 HG12 0.02 -0.01 0.09 -0.04 1.49 1.55 1gc1G1 ILE 439 HG13 0.01 -0.04 -0.05 -0.04 1.21 1.09 1gc1G1 ILE 439 HG23 0.02 0.04 -0.08 -0.04 0.93 0.86 1gc1G1 ILE 439 HD13 0.01 0.01 -0.00 -0.04 0.88 0.86 1gc1G1 SER 440 H 0.02 -0.09 0.19 -0.55 8.46 8.03 1gc1G1 SER 440 HA 0.01 0.16 0.65 -0.75 4.49 4.55 1gc1G1 SER 440 HB2 0.01 0.10 0.06 -0.04 3.95 4.09 1gc1G1 SER 440 HB3 0.02 0.01 0.10 -0.04 3.93 4.03 1gc1G1 GLY 441 H 0.01 0.19 0.11 -0.55 8.43 8.20 1gc1G1 GLY 441 HA2 0.01 0.22 0.76 -0.51 4.01 4.49 1gc1G1 GLY 441 HA3 0.01 0.07 0.31 -0.51 4.01 3.89 1gc1G1 GLN 442 H 0.02 0.06 -0.33 -0.55 8.47 7.68 1gc1G1 GLN 442 HA 0.02 0.17 0.65 -0.75 4.36 4.44 1gc1G1 GLN 442 HB2 0.01 -0.07 -0.12 -0.04 2.15 1.93 1gc1G1 GLN 442 HB3 0.02 0.02 0.19 -0.04 2.02 2.20 1gc1G1 GLN 442 HG2 0.02 0.13 0.03 -0.04 2.40 2.53 1gc1G1 GLN 442 HG3 0.01 -0.01 -0.01 -0.04 2.39 2.35 1gc1G1 GLN 442 HE21 0.03 -0.01 -0.03 -0.04 6.97 6.91 1gc1G1 GLN 442 HE22 0.02 0.02 0.01 -0.04 7.69 7.70 1gc1G1 ILE 443 H 0.05 0.13 -0.04 -0.55 8.25 7.83 1gc1G1 ILE 443 HA 0.06 0.14 0.58 -0.75 4.18 4.20 1gc1G1 ILE 443 HB 0.20 -0.26 0.18 -0.04 1.89 1.98 1gc1G1 ILE 443 HG12 0.05 -0.06 -0.02 -0.04 1.49 1.42 1gc1G1 ILE 443 HG13 0.07 0.07 0.03 -0.04 1.21 1.35 1gc1G1 ILE 443 HG23 0.23 0.04 -0.18 -0.04 0.93 0.98 1gc1G1 ILE 443 HD13 0.05 0.03 0.01 -0.04 0.88 0.93 1gc1G1 ARG 444 H 0.02 0.25 0.15 -0.55 8.46 8.32 1gc1G1 ARG 444 HA 0.02 0.28 1.05 -0.75 4.34 4.93 1gc1G1 ARG 444 HB2 0.01 0.02 -0.05 -0.04 1.90 1.84 1gc1G1 ARG 444 HB3 0.02 -0.01 -0.15 -0.04 1.80 1.62 1gc1G1 ARG 444 HG2 0.01 0.20 0.04 -0.04 1.67 1.88 1gc1G1 ARG 444 HG3 0.00 -0.02 0.17 -0.04 1.67 1.77 1gc1G1 ARG 444 HD2 0.01 -0.02 -0.04 -0.04 3.22 3.12 1gc1G1 ARG 444 HD3 0.01 0.01 0.03 -0.04 3.22 3.22 1gc1G1 CYS 445 H -0.04 0.68 0.29 -0.55 8.50 8.88 1gc1G1 CYS 445 HA -0.05 0.21 0.99 -0.75 4.58 4.97 1gc1G1 CYS 445 HB2 -0.14 -0.01 -0.02 -0.04 2.97 2.76 1gc1G1 CYS 445 HB3 -0.10 0.02 -0.02 -0.04 2.97 2.83 1gc1G1 SER 446 H -0.06 0.26 0.06 -0.55 8.46 8.17 1gc1G1 SER 446 HA -0.05 0.17 0.87 -0.75 4.49 4.73 1gc1G1 SER 446 HB2 -0.03 0.00 0.17 -0.04 3.95 4.05 1gc1G1 SER 446 HB3 -0.03 0.01 0.06 -0.04 3.93 3.93 1gc1G1 SER 447 H -0.10 0.52 0.19 -0.55 8.46 8.53 1gc1G1 SER 447 HA -0.06 0.22 1.00 -0.75 4.49 4.90 1gc1G1 SER 447 HB2 -0.17 0.05 0.01 -0.04 3.95 3.80 1gc1G1 SER 447 HB3 -0.10 -0.02 -0.07 -0.04 3.93 3.69 1gc1G1 ASN 448 H -0.04 0.11 0.16 -0.55 8.53 8.21 1gc1G1 ASN 448 HA -0.02 0.37 1.12 -0.75 4.76 5.47 1gc1G1 ASN 448 HB2 -0.01 -0.06 0.15 -0.04 2.88 2.91 1gc1G1 ASN 448 HB3 -0.00 0.08 -0.00 -0.04 2.79 2.82 1gc1G1 ASN 448 HD21 -0.01 0.00 -0.11 -0.04 7.03 6.87 1gc1G1 ASN 448 HD22 -0.02 -0.01 -0.08 -0.04 7.74 7.59 1gc1G1 ILE 449 H -0.01 0.45 0.13 -0.55 8.25 8.27 1gc1G1 ILE 449 HA -0.02 0.12 0.59 -0.75 4.18 4.12 1gc1G1 ILE 449 HB 0.10 -0.10 0.11 -0.04 1.89 1.96 1gc1G1 ILE 449 HG12 -0.11 0.02 -0.11 -0.04 1.49 1.24 1gc1G1 ILE 449 HG13 -0.06 -0.03 -0.19 -0.04 1.21 0.88 1gc1G1 ILE 449 HG23 0.14 -0.00 0.00 -0.04 0.93 1.02 1gc1G1 ILE 449 HD13 -0.06 0.01 -0.11 -0.04 0.88 0.69 1gc1G1 THR 450 H 0.01 0.57 0.36 -0.55 8.28 8.67 1gc1G1 THR 450 HA 0.01 0.14 0.62 -0.75 4.39 4.41 1gc1G1 THR 450 HB 0.02 -0.07 -0.22 -0.04 4.32 4.02 1gc1G1 THR 450 HG23 0.03 -0.06 -0.52 -0.04 1.22 0.62 1gc1G1 GLY 451 H 0.02 0.22 0.21 -0.55 8.43 8.34 1gc1G1 GLY 451 HA2 -0.01 0.12 0.63 -0.51 4.01 4.24 1gc1G1 GLY 451 HA3 0.01 0.06 0.42 -0.51 4.01 3.99 1gc1G1 LEU 452 H 0.01 0.53 0.34 -0.55 8.37 8.71 1gc1G1 LEU 452 HA 0.09 0.22 0.67 -0.75 4.35 4.57 1gc1G1 LEU 452 HB2 0.04 -0.05 -0.39 -0.04 1.64 1.20 1gc1G1 LEU 452 HB3 0.05 -0.04 -0.12 -0.04 1.64 1.49 1gc1G1 LEU 452 HG 0.35 0.06 0.07 -0.04 1.64 2.08 1gc1G1 LEU 452 HD13 0.11 -0.01 -0.13 -0.04 0.93 0.86 1gc1G1 LEU 452 HD23 0.23 0.05 0.02 -0.04 0.89 1.15 1gc1G1 LEU 453 H 0.03 0.46 0.09 -0.55 8.37 8.40 1gc1G1 LEU 453 HA 0.03 0.21 0.93 -0.75 4.35 4.76 1gc1G1 LEU 453 HB2 -0.01 -0.03 0.01 -0.04 1.64 1.57 1gc1G1 LEU 453 HB3 -0.00 -0.02 -0.04 -0.04 1.64 1.54 1gc1G1 LEU 453 HG -0.01 -0.02 -0.31 -0.04 1.64 1.26 1gc1G1 LEU 453 HD13 -0.06 -0.04 -0.15 -0.04 0.93 0.65 1gc1G1 LEU 453 HD23 -0.01 0.04 -0.04 -0.04 0.89 0.84 1gc1G1 LEU 454 H 0.05 0.69 0.23 -0.55 8.37 8.79 1gc1G1 LEU 454 HA 0.01 0.25 1.07 -0.75 4.35 4.92 1gc1G1 LEU 454 HB2 0.13 -0.03 -0.02 -0.04 1.64 1.68 1gc1G1 LEU 454 HB3 0.21 -0.03 0.12 -0.04 1.64 1.90 1gc1G1 LEU 454 HG 0.07 -0.12 -0.32 -0.04 1.64 1.22 1gc1G1 LEU 454 HD13 0.09 -0.00 -0.16 -0.04 0.93 0.82 1gc1G1 LEU 454 HD23 0.11 0.02 -0.26 -0.04 0.89 0.72 1gc1G1 THR 455 H 0.13 0.43 0.30 -0.55 8.28 8.59 1gc1G1 THR 455 HA 0.04 0.13 0.55 -0.75 4.39 4.35 1gc1G1 THR 455 HB 0.01 0.06 -0.25 -0.04 4.32 4.10 1gc1G1 THR 455 HG23 -0.01 -0.01 -0.21 -0.04 1.22 0.95 1gc1G1 ARG 456 H -0.01 0.32 0.18 -0.55 8.46 8.40 1gc1G1 ARG 456 HA -0.24 0.31 1.34 -0.75 4.34 5.00 1gc1G1 ARG 456 HB2 -0.43 0.08 0.09 -0.04 1.90 1.60 1gc1G1 ARG 456 HB3 -0.14 -0.09 -0.02 -0.04 1.80 1.51 1gc1G1 ARG 456 HG2 -0.01 0.02 0.08 -0.04 1.67 1.73 1gc1G1 ARG 456 HG3 -0.08 -0.06 -0.02 -0.04 1.67 1.47 1gc1G1 ARG 456 HD2 0.09 -0.07 -0.02 -0.04 3.22 3.18 1gc1G1 ARG 456 HD3 0.02 0.07 -0.12 -0.04 3.22 3.15 1gc1G1 ASP 457 H -0.24 0.56 0.29 -0.55 8.40 8.46 1gc1G1 ASP 457 HA -0.07 0.01 0.46 -0.75 4.63 4.27 1gc1G1 ASP 457 HB2 -0.14 -0.09 0.20 -0.04 2.71 2.64 1gc1G1 ASP 457 HB3 -0.07 0.07 0.04 -0.04 2.70 2.69 1gc1G1 GLY 458 H -0.05 0.08 0.14 -0.55 8.43 8.05 1gc1G1 GLY 458 HA2 -0.06 0.23 0.88 -0.51 4.01 4.55 1gc1G1 GLY 458 HA3 -0.04 -0.03 0.41 -0.51 4.01 3.85 1gc1G1 GLY 459 H -0.03 0.14 0.18 -0.55 8.43 8.18 1gc1G1 GLY 459 HA2 -0.02 0.02 0.37 -0.51 4.01 3.87 1gc1G1 GLY 459 HA3 -0.02 0.10 0.37 -0.51 4.01 3.96 1gc1G1 ASN 460 H -0.03 -0.01 -0.61 -0.55 8.53 7.34 1gc1G1 ASN 460 HA -0.02 0.15 0.66 -0.75 4.76 4.80 1gc1G1 ASN 460 HB2 -0.03 0.07 -0.21 -0.04 2.88 2.67 1gc1G1 ASN 460 HB3 -0.05 0.06 -0.05 -0.04 2.79 2.70 1gc1G1 ASN 460 HD21 -0.02 -0.30 0.01 -0.04 7.03 6.68 1gc1G1 ASN 460 HD22 -0.04 0.13 0.14 -0.04 7.74 7.94 1gc1G1 SER 461 H -0.02 0.02 -0.04 -0.55 8.46 7.88 1gc1G1 SER 461 HA -0.02 0.06 0.38 -0.75 4.49 4.15 1gc1G1 SER 461 HB2 -0.01 -0.08 0.15 -0.04 3.95 3.97 1gc1G1 SER 461 HB3 -0.01 0.02 0.09 -0.04 3.93 3.99 1gc1G1 ASN 462 H -0.00 0.13 0.18 -0.55 8.53 8.29 1gc1G1 ASN 462 HA 0.01 0.04 0.36 -0.75 4.76 4.41 1gc1G1 ASN 462 HB2 0.00 0.09 -0.10 -0.04 2.88 2.84 1gc1G1 ASN 462 HB3 0.01 0.01 0.13 -0.04 2.79 2.90 1gc1G1 ASN 462 HD21 0.01 -0.02 -0.01 -0.04 7.03 6.96 1gc1G1 ASN 462 HD22 0.01 0.07 0.04 -0.04 7.74 7.82 1gc1G1 ASN 463 H -0.00 0.35 -0.62 -0.55 8.53 7.71 1gc1G1 ASN 463 HA 0.01 0.07 0.53 -0.75 4.76 4.61 1gc1G1 ASN 463 HB2 -0.00 0.05 -0.00 -0.04 2.88 2.88 1gc1G1 ASN 463 HB3 -0.01 0.09 0.05 -0.04 2.79 2.88 1gc1G1 ASN 463 HD21 0.00 -0.01 0.06 -0.04 7.03 7.04 1gc1G1 ASN 463 HD22 -0.00 0.05 0.05 -0.04 7.74 7.80 1gc1G1 GLU 464 H 0.02 0.07 0.15 -0.55 8.60 8.29 1gc1G1 GLU 464 HA 0.04 0.13 0.38 -0.75 4.29 4.08 1gc1G1 GLU 464 HB2 0.03 -0.02 0.13 -0.04 2.09 2.20 1gc1G1 GLU 464 HB3 0.06 -0.04 0.11 -0.04 1.99 2.08 1gc1G1 GLU 464 HG2 0.02 -0.02 0.12 -0.04 2.34 2.43 1gc1G1 GLU 464 HG3 0.03 -0.00 0.07 -0.04 2.34 2.40 1gc1G1 SER 465 H 0.00 0.10 -0.19 -0.55 8.46 7.83 1gc1G1 SER 465 HA 0.01 0.44 1.17 -0.75 4.49 5.36 1gc1G1 SER 465 HB2 -0.01 -0.07 -0.02 -0.04 3.95 3.81 1gc1G1 SER 465 HB3 -0.03 -0.01 -0.08 -0.04 3.93 3.76 1gc1G1 GLU 466 H -0.02 0.51 0.26 -0.55 8.60 8.81 1gc1G1 GLU 466 HA -0.17 0.14 0.82 -0.75 4.29 4.32 1gc1G1 GLU 466 HB2 0.16 -0.03 0.08 -0.04 2.09 2.26 1gc1G1 GLU 466 HB3 -0.41 0.01 -0.03 -0.04 1.99 1.52 1gc1G1 GLU 466 HG2 0.02 0.06 -0.48 -0.04 2.34 1.90 1gc1G1 GLU 466 HG3 0.08 -0.13 -0.15 -0.04 2.34 2.10 1gc1G1 ILE 467 H -0.26 0.16 0.15 -0.55 8.25 7.75 1gc1G1 ILE 467 HA -0.08 0.27 0.88 -0.75 4.18 4.49 1gc1G1 ILE 467 HB -0.12 -0.10 0.14 -0.04 1.89 1.77 1gc1G1 ILE 467 HG12 -0.03 0.02 -0.05 -0.04 1.49 1.39 1gc1G1 ILE 467 HG13 -0.04 0.02 -0.09 -0.04 1.21 1.06 1gc1G1 ILE 467 HG23 0.01 0.01 -0.19 -0.04 0.93 0.72 1gc1G1 ILE 467 HD13 -0.07 -0.02 -0.11 -0.04 0.88 0.64 1gc1G1 PHE 468 H 0.18 0.71 0.46 -0.55 8.34 9.14 1gc1G1 PHE 468 HA 0.05 0.29 1.16 -0.75 4.62 5.37 1gc1G1 PHE 468 HB2 0.22 0.01 0.12 -0.04 3.15 3.46 1gc1G1 PHE 468 HB3 0.18 -0.03 0.00 -0.04 3.06 3.18 1gc1G1 PHE 468 HD2 -0.10 0.09 -0.11 -0.04 7.28 7.11 1gc1G1 PHE 468 HE2 -0.05 -0.01 -0.05 -0.04 7.38 7.24 1gc1G1 PHE 468 HZ -0.03 -0.09 -0.18 -0.04 7.32 6.98 1gc1G1 ARG 469 H 0.11 0.56 0.31 -0.55 8.46 8.90 1gc1G1 ARG 469 HA 0.11 0.44 1.00 -0.75 4.34 5.14 1gc1G1 ARG 469 HB2 0.01 -0.04 -0.10 -0.04 1.90 1.73 1gc1G1 ARG 469 HB3 0.01 -0.03 -0.27 -0.04 1.80 1.47 1gc1G1 ARG 469 HG2 0.08 0.03 -0.46 -0.04 1.67 1.28 1gc1G1 ARG 469 HG3 0.04 -0.14 -0.34 -0.04 1.67 1.19 1gc1G1 ARG 469 HD2 0.01 -0.08 -0.14 -0.04 3.22 2.97 1gc1G1 ARG 469 HD3 0.03 0.27 -0.18 -0.04 3.22 3.29 1gc1G1 PRO 470 HA -0.34 0.10 0.58 -0.51 4.44 4.26 1gc1G1 PRO 470 HB2 -0.35 0.09 0.04 -0.04 2.28 2.02 1gc1G1 PRO 470 HB3 -1.59 0.02 0.14 -0.04 2.02 0.55 1gc1G1 PRO 470 HG2 -0.17 0.00 0.09 -0.04 2.03 1.91 1gc1G1 PRO 470 HG3 -0.29 -0.01 0.11 -0.04 2.03 1.80 1gc1G1 PRO 470 HD2 -0.09 0.01 0.28 -0.04 3.68 3.84 1gc1G1 PRO 470 HD3 -0.60 0.22 0.28 -0.04 3.65 3.52 1gc1G1 GLY 471 H -0.10 0.40 0.40 -0.55 8.43 8.59 1gc1G1 GLY 471 HA2 -0.03 0.20 0.82 -0.51 4.01 4.48 1gc1G1 GLY 471 HA3 -0.03 -0.03 0.22 -0.51 4.01 3.66 1gc1G1 GLY 472 H -0.02 0.16 0.18 -0.55 8.43 8.20 1gc1G1 GLY 472 HA2 -0.05 0.00 0.35 -0.51 4.01 3.80 1gc1G1 GLY 472 HA3 -0.03 0.05 0.98 -0.51 4.01 4.50 1gc1G1 GLY 473 H -0.08 0.20 -0.06 -0.55 8.43 7.95 1gc1G1 GLY 473 HA2 -0.00 0.06 0.28 -0.51 4.01 3.84 1gc1G1 GLY 473 HA3 -0.00 0.24 0.85 -0.51 4.01 4.58 1gc1G1 ASP 474 H -0.05 0.17 -0.16 -0.55 8.40 7.81 1gc1G1 ASP 474 HA -0.03 0.21 0.69 -0.75 4.63 4.75 1gc1G1 ASP 474 HB2 -0.03 0.12 0.12 -0.04 2.71 2.87 1gc1G1 ASP 474 HB3 -0.08 -0.07 0.21 -0.04 2.70 2.71 1gc1G1 MET 475 H -0.05 0.40 0.19 -0.55 8.47 8.47 1gc1G1 MET 475 HA -0.64 0.13 0.44 -0.75 4.52 3.69 1gc1G1 MET 475 HB2 -0.05 0.12 0.13 -0.04 2.15 2.30 1gc1G1 MET 475 HB3 -0.44 0.01 -0.03 -0.04 2.03 1.52 1gc1G1 MET 475 HG2 -1.70 0.03 -0.01 -0.04 2.63 0.91 1gc1G1 MET 475 HG3 -1.31 0.02 0.06 -0.04 2.56 1.29 1gc1G1 MET 475 HE3 -0.43 0.03 -0.05 -0.04 2.10 1.61 1gc1G1 ARG 476 H -0.44 0.09 -0.40 -0.55 8.46 7.15 1gc1G1 ARG 476 HA -0.60 0.10 0.42 -0.75 4.34 3.51 1gc1G1 ARG 476 HB2 -0.22 -0.01 0.06 -0.04 1.90 1.69 1gc1G1 ARG 476 HB3 -0.15 0.04 -0.01 -0.04 1.80 1.63 1gc1G1 ARG 476 HG2 -0.34 0.04 -0.02 -0.04 1.67 1.32 1gc1G1 ARG 476 HG3 -0.77 -0.01 0.04 -0.04 1.67 0.89 1gc1G1 ARG 476 HD2 -0.11 0.01 0.01 -0.04 3.22 3.09 1gc1G1 ARG 476 HD3 -0.07 0.01 -0.03 -0.04 3.22 3.09 1gc1G1 ASP 477 H -0.26 0.28 -0.23 -0.55 8.40 7.65 1gc1G1 ASP 477 HA -0.15 0.04 0.31 -0.75 4.63 4.07 1gc1G1 ASP 477 HB2 -0.12 0.21 0.11 -0.04 2.71 2.86 1gc1G1 ASP 477 HB3 -0.05 0.03 0.04 -0.04 2.70 2.68 1gc1G1 ASN 478 H -0.61 0.29 -0.92 -0.55 8.53 6.74 1gc1G1 ASN 478 HA -0.15 0.11 0.62 -0.75 4.76 4.58 1gc1G1 ASN 478 HB2 -1.31 0.30 0.17 -0.04 2.88 2.00 1gc1G1 ASN 478 HB3 -0.34 0.06 0.01 -0.04 2.79 2.48 1gc1G1 ASN 478 HD21 -0.19 0.32 0.11 -0.04 7.03 7.22 1gc1G1 ASN 478 HD22 -0.23 0.21 0.16 -0.04 7.74 7.83 1gc1G1 TRP 479 H -0.42 0.31 0.06 -0.55 7.97 7.39 1gc1G1 TRP 479 HA 0.02 0.14 0.61 -0.75 4.62 4.63 1gc1G1 TRP 479 HB2 -0.03 0.00 0.14 -0.04 3.23 3.30 1gc1G1 TRP 479 HB3 0.01 -0.05 0.04 -0.04 3.23 3.19 1gc1G1 TRP 479 HD1 0.04 0.11 0.13 -0.04 7.22 7.46 1gc1G1 TRP 479 HE1 0.73 -0.06 -0.05 -0.04 10.20 10.77 1gc1G1 TRP 479 HE3 0.00 0.06 -0.43 -0.04 7.59 7.19 1gc1G1 TRP 479 HZ2 -0.16 -0.02 -0.10 -0.04 7.44 7.12 1gc1G1 TRP 479 HZ3 -0.03 0.11 -0.18 -0.04 7.13 6.98 1gc1G1 TRP 479 HH2 -0.23 0.00 -0.26 -0.04 7.19 6.66 1gc1G1 ARG 480 H -0.02 0.63 -0.00 -0.55 8.46 8.52 1gc1G1 ARG 480 HA -0.04 -0.02 0.23 -0.75 4.34 3.76 1gc1G1 ARG 480 HB2 -0.19 0.07 -0.01 -0.04 1.90 1.73 1gc1G1 ARG 480 HB3 -0.31 0.10 -0.08 -0.04 1.80 1.47 1gc1G1 ARG 480 HG2 -0.90 0.03 -0.16 -0.04 1.67 0.60 1gc1G1 ARG 480 HG3 -0.38 -0.01 -0.08 -0.04 1.67 1.16 1gc1G1 ARG 480 HD2 -0.68 -0.02 -0.10 -0.04 3.22 2.38 1gc1G1 ARG 480 HD3 -0.86 -0.01 -0.12 -0.04 3.22 2.19 1gc1G1 SER 481 H -0.01 0.21 -0.62 -0.55 8.46 7.48 1gc1G1 SER 481 HA -0.09 0.07 0.37 -0.75 4.49 4.09 1gc1G1 SER 481 HB2 -0.01 0.05 -0.02 -0.04 3.95 3.92 1gc1G1 SER 481 HB3 -0.05 0.01 0.03 -0.04 3.93 3.88 1gc1G1 GLU 482 H 0.19 0.29 -0.40 -0.55 8.60 8.13 1gc1G1 GLU 482 HA 0.34 0.20 0.79 -0.75 4.29 4.87 1gc1G1 GLU 482 HB2 0.23 0.08 0.10 -0.04 2.09 2.45 1gc1G1 GLU 482 HB3 0.26 -0.05 -0.05 -0.04 1.99 2.11 1gc1G1 GLU 482 HG2 0.17 0.01 -0.11 -0.04 2.34 2.37 1gc1G1 GLU 482 HG3 0.16 0.04 -0.00 -0.04 2.34 2.49 1gc1G1 LEU 483 H 0.19 0.40 -0.02 -0.55 8.37 8.39 1gc1G1 LEU 483 HA 0.39 0.17 0.65 -0.75 4.35 4.81 1gc1G1 LEU 483 HB2 0.10 0.02 -0.12 -0.04 1.64 1.60 1gc1G1 LEU 483 HB3 0.11 -0.08 -0.01 -0.04 1.64 1.62 1gc1G1 LEU 483 HG 0.17 0.08 -0.14 -0.04 1.64 1.71 1gc1G1 LEU 483 HD13 0.03 -0.10 -0.25 -0.04 0.93 0.57 1gc1G1 LEU 483 HD23 0.07 0.01 -0.10 -0.04 0.89 0.83 1gc1G1 TYR 484 H 0.25 0.27 -0.34 -0.55 8.29 7.92 1gc1G1 TYR 484 HA -0.19 0.01 0.29 -0.75 4.56 3.91 1gc1G1 TYR 484 HB2 -0.30 -0.08 -0.03 -0.04 3.06 2.61 1gc1G1 TYR 484 HB3 -0.26 0.17 0.07 -0.04 2.98 2.92 1gc1G1 TYR 484 HD2 -0.13 -0.05 -0.38 -0.04 7.15 6.55 1gc1G1 TYR 484 HE2 -0.01 0.06 -0.04 -0.04 6.85 6.82 1gc1G1 LYS 485 H -1.45 0.13 -0.35 -0.55 8.42 6.19 1gc1G1 LYS 485 HA -0.13 0.10 0.41 -0.75 4.32 3.95 1gc1G1 LYS 485 HB2 -0.46 0.04 0.23 -0.04 1.87 1.64 1gc1G1 LYS 485 HB3 -0.91 0.01 0.03 -0.04 1.79 0.89 1gc1G1 LYS 485 HG2 -1.25 0.01 -0.11 -0.04 1.46 0.06 1gc1G1 LYS 485 HG3 -1.76 -0.06 -0.21 -0.04 1.46 -0.60 1gc1G1 LYS 485 HD2 -0.47 0.07 -0.01 -0.04 1.69 1.24 1gc1G1 LYS 485 HD3 -0.50 0.02 -0.03 -0.04 1.68 1.12 1gc1G1 LYS 485 HE2 -0.60 0.08 -0.05 -0.04 2.99 2.37 1gc1G1 LYS 485 HE3 -0.55 -0.04 -0.08 -0.04 2.99 2.28 1gc1G1 TYR 486 H -0.14 0.56 -0.46 -0.55 8.29 7.69 1gc1G1 TYR 486 HA -0.06 0.28 0.93 -0.75 4.56 4.96 1gc1G1 TYR 486 HB2 -0.05 0.05 0.04 -0.04 3.06 3.05 1gc1G1 TYR 486 HB3 -0.03 -0.12 0.01 -0.04 2.98 2.80 1gc1G1 TYR 486 HD2 -0.06 -0.03 -0.10 -0.04 7.15 6.91 1gc1G1 TYR 486 HE2 -0.11 0.12 -0.07 -0.04 6.85 6.75 1gc1G1 LYS 487 H 0.15 0.14 0.20 -0.55 8.42 8.35 1gc1G1 LYS 487 HA 0.06 0.02 0.54 -0.75 4.32 4.18 1gc1G1 LYS 487 HB2 0.05 -0.04 0.12 -0.04 1.87 1.97 1gc1G1 LYS 487 HB3 0.03 0.17 -0.08 -0.04 1.79 1.86 1gc1G1 LYS 487 HG2 0.04 0.14 -0.03 -0.04 1.46 1.58 1gc1G1 LYS 487 HG3 0.07 -0.09 -0.28 -0.04 1.46 1.13 1gc1G1 LYS 487 HD2 0.03 0.23 -0.01 -0.04 1.69 1.90 1gc1G1 LYS 487 HD3 0.05 -0.09 -0.10 -0.04 1.68 1.50 1gc1G1 LYS 487 HE2 0.09 -0.07 -0.17 -0.04 2.99 2.80 1gc1G1 LYS 487 HE3 0.09 -0.05 -0.03 -0.04 2.99 2.96 1gc1G1 VAL 488 H 0.06 0.12 0.16 -0.55 8.24 8.03 1gc1G1 VAL 488 HA 0.11 0.34 0.93 -0.75 4.13 4.75 1gc1G1 VAL 488 HB -0.02 -0.09 0.10 -0.04 2.12 2.08 1gc1G1 VAL 488 HG13 -0.01 -0.01 -0.03 -0.04 0.97 0.88 1gc1G1 VAL 488 HG23 0.02 0.01 -0.07 -0.04 0.95 0.87 1gc1G1 VAL 489 H 0.15 0.66 0.38 -0.55 8.24 8.88 1gc1G1 VAL 489 HA 0.15 0.14 0.94 -0.75 4.13 4.61 1gc1G1 VAL 489 HB 0.08 0.02 -0.06 -0.04 2.12 2.12 1gc1G1 VAL 489 HG13 0.05 0.05 -0.11 -0.04 0.97 0.91 1gc1G1 VAL 489 HG23 0.04 0.04 0.02 -0.04 0.95 1.01 1gc1G1 LYS 490 H 0.01 0.11 0.14 -0.55 8.42 8.13 1gc1G1 LYS 490 HA -0.71 0.15 0.72 -0.75 4.32 3.73 1gc1G1 LYS 490 HB2 -0.20 -0.06 0.16 -0.04 1.87 1.73 1gc1G1 LYS 490 HB3 -0.18 -0.03 0.08 -0.04 1.79 1.62 1gc1G1 LYS 490 HG2 -0.39 0.10 0.02 -0.04 1.46 1.15 1gc1G1 LYS 490 HG3 -1.29 0.08 0.12 -0.04 1.46 0.33 1gc1G1 LYS 490 HD2 -0.16 -0.05 0.02 -0.04 1.69 1.46 1gc1G1 LYS 490 HD3 -0.14 -0.04 0.00 -0.04 1.68 1.46 1gc1G1 LYS 490 HE2 -0.20 0.05 0.02 -0.04 2.99 2.83 1gc1G1 LYS 490 HE3 -0.23 -0.01 0.01 -0.04 2.99 2.71 1gc1G1 ILE 491 H -0.27 0.62 0.25 -0.55 8.25 8.30 1gc1G1 ILE 491 HA -0.06 0.08 0.74 -0.75 4.18 4.19 1gc1G1 ILE 491 HB -0.03 0.03 -0.30 -0.04 1.89 1.54 1gc1G1 ILE 491 HG12 -0.01 0.04 -0.28 -0.04 1.49 1.21 1gc1G1 ILE 491 HG13 0.01 0.01 -0.18 -0.04 1.21 1.00 1gc1G1 ILE 491 HG23 -0.02 -0.02 -0.26 -0.04 0.93 0.59 1gc1G1 ILE 491 HD13 -0.01 -0.02 -0.01 -0.04 0.88 0.80 1gc1G1 GLU 492 H -0.04 0.11 0.00 -0.55 8.60 8.13 1gc1G1 GLU 492 HA -0.06 0.20 0.54 -0.75 4.29 4.22 1gc1G1 GLU 492 HB2 -0.03 0.01 0.08 -0.04 2.09 2.11 1gc1G1 GLU 492 HB3 -0.03 0.01 0.06 -0.04 1.99 1.99 1gc1G1 GLU 492 HG2 -0.04 0.02 -0.05 -0.04 2.34 2.23 1gc1G1 GLU 492 HG3 -0.05 0.01 -0.12 -0.04 2.34 2.14