============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 36 rings ring int. center anis. iso. TYR 5 0.840 55.446 49.188 29.032 -99.200 -91.000 HIS 6 0.900 50.999 41.272 23.629 -99.200 -91.000 PHE 34 1.000 49.476 59.879 30.007 -99.200 -91.000 HIS 42 0.900 39.501 37.755 22.699 -99.200 -91.000 TYR 43 0.840 46.041 35.183 24.407 -99.200 -91.000 HIS 53 0.900 39.552 27.397 22.241 -99.200 -91.000 PHE 73 1.000 39.456 36.451 34.123 -99.200 -91.000 TRP 81 1.040 29.701 27.624 29.762 -99.200 -91.000 TRP6 81 1.020 29.132 29.907 29.423 -99.200 -91.000 HIS 83 0.900 23.120 21.911 34.850 -99.200 -91.000 HIS 101 0.900 51.417 29.185 34.315 -99.200 -91.000 PHE 102 1.000 50.897 33.310 34.619 -99.200 -91.000 PHE 105 1.000 53.878 37.511 46.575 -99.200 -91.000 TYR 114 0.840 36.829 57.212 42.428 -99.200 -91.000 PHE 120 1.000 24.802 56.438 45.732 -99.200 -91.000 PHE 132 1.000 36.592 55.923 52.258 -99.200 -91.000 TYR 145 0.840 40.938 32.242 54.889 -99.200 -91.000 PHE 146 1.000 45.072 28.727 50.790 -99.200 -91.000 TYR 158 0.840 36.916 16.017 76.672 -99.200 -91.000 PHE 162 1.000 43.199 19.028 64.124 -99.200 -91.000 TYR 167 0.840 50.987 34.174 57.011 -99.200 -91.000 HIS 168 0.900 56.239 28.138 56.202 -99.200 -91.000 PHE 170 1.000 58.026 30.652 51.594 -99.200 -91.000 PHE 180 1.000 57.387 48.693 54.309 -99.200 -91.000 HIS 188 0.900 56.606 57.957 50.069 -99.200 -91.000 TRP 205 1.040 52.408 40.652 59.487 -99.200 -91.000 TRP6 205 1.020 51.622 39.502 57.561 -99.200 -91.000 TYR 216 0.840 60.941 49.075 50.821 -99.200 -91.000 HIS 223 0.900 54.381 47.149 63.460 -99.200 -91.000 TYR 225 0.840 47.457 44.645 69.208 -99.200 -91.000 PHE 240 1.000 43.779 52.900 59.389 -99.200 -91.000 PHE 249 1.000 44.222 38.863 61.796 -99.200 -91.000 PHE 277 1.000 51.499 37.759 34.663 -99.200 -91.000 TYR 280 0.840 47.043 44.542 37.235 -99.200 -91.000 TYR 311 0.840 49.844 49.153 42.216 -99.200 -91.000 TYR 358 0.840 34.717 63.661 31.069 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1cm7A1 MET 1 HA 0.08 -0.06 0.14 -0.75 4.52 3.93 1cm7A1 MET 1 HB2 0.15 -0.11 0.07 -0.04 2.15 2.22 1cm7A1 MET 1 HB3 0.08 -0.07 0.13 -0.04 2.03 2.13 1cm7A1 MET 1 HG2 0.10 -0.10 0.06 -0.04 2.63 2.65 1cm7A1 MET 1 HG3 0.15 0.53 -0.01 -0.04 2.56 3.19 1cm7A1 MET 1 HE3 0.14 -0.04 0.03 -0.04 2.10 2.20 1cm7A1 SER 2 H 0.19 0.10 0.09 -0.55 8.46 8.30 1cm7A1 SER 2 HA 0.08 0.16 0.56 -0.75 4.49 4.53 1cm7A1 SER 2 HB2 0.17 0.04 -0.26 -0.04 3.95 3.85 1cm7A1 SER 2 HB3 0.06 0.07 0.10 -0.04 3.93 4.11 1cm7A1 LYS 3 H -0.03 0.17 0.22 -0.55 8.42 8.23 1cm7A1 LYS 3 HA -0.06 0.00 1.05 -0.75 4.32 4.56 1cm7A1 ASN 4 H -0.22 0.27 0.33 -0.55 8.53 8.36 1cm7A1 ASN 4 HA -0.15 -0.05 0.18 -0.75 4.76 3.99 1cm7A1 ASN 4 HB2 -0.48 0.43 0.68 -0.04 2.88 3.47 1cm7A1 ASN 4 HB3 -0.27 -0.03 0.13 -0.04 2.79 2.59 1cm7A1 ASN 4 HD21 -0.05 -0.05 -0.00 -0.04 7.03 6.89 1cm7A1 ASN 4 HD22 -0.07 0.01 0.04 -0.04 7.74 7.69 1cm7A1 TYR 5 H -0.11 0.48 0.34 -0.55 8.29 8.44 1cm7A1 TYR 5 HA 0.06 0.17 0.33 -0.75 4.56 4.36 1cm7A1 TYR 5 HB2 0.01 -0.03 0.11 -0.04 3.06 3.10 1cm7A1 TYR 5 HB3 0.01 -0.00 0.02 -0.04 2.98 2.96 1cm7A1 TYR 5 HD2 0.01 0.03 -0.08 -0.04 7.15 7.07 1cm7A1 TYR 5 HE2 0.01 -0.01 -0.13 -0.04 6.85 6.67 1cm7A1 HIS 6 H 0.23 0.21 0.30 -0.55 8.41 8.61 1cm7A1 HIS 6 HA 0.08 0.41 0.98 -0.75 4.63 5.34 1cm7A1 HIS 6 HB2 0.06 0.02 -0.09 -0.04 3.26 3.21 1cm7A1 HIS 6 HB3 0.09 0.05 0.12 -0.04 3.20 3.41 1cm7A1 HIS 6 HD2 0.12 0.10 -0.32 -0.04 6.97 6.82 1cm7A1 HIS 6 HE1 0.04 0.06 -0.63 -0.04 7.75 7.18 1cm7A1 ILE 7 H -0.70 0.41 0.28 -0.55 8.25 7.69 1cm7A1 ILE 7 HA -0.10 0.17 0.77 -0.75 4.18 4.27 1cm7A1 ILE 7 HB -0.12 0.05 0.03 -0.04 1.89 1.81 1cm7A1 ILE 7 HG12 -0.09 0.03 -0.21 -0.04 1.49 1.18 1cm7A1 ILE 7 HG13 -0.05 -0.04 -0.42 -0.04 1.21 0.65 1cm7A1 ILE 7 HG23 -0.07 -0.02 -0.32 -0.04 0.93 0.48 1cm7A1 ILE 7 HD13 -0.08 -0.00 -0.18 -0.04 0.88 0.57 1cm7A1 ALA 8 H -0.01 0.55 0.39 -0.55 8.40 8.78 1cm7A1 ALA 8 HA 0.17 0.10 0.71 -0.75 4.34 4.56 1cm7A1 ALA 8 HB3 0.16 0.02 0.05 -0.04 1.41 1.60 1cm7A1 VAL 9 H 0.03 0.73 0.43 -0.55 8.24 8.88 1cm7A1 VAL 9 HA -0.02 0.27 1.05 -0.75 4.13 4.68 1cm7A1 VAL 9 HB -0.04 -0.03 0.10 -0.04 2.12 2.11 1cm7A1 VAL 9 HG13 -0.04 -0.02 -0.09 -0.04 0.97 0.78 1cm7A1 VAL 9 HG23 -0.04 0.04 -0.15 -0.04 0.95 0.76 1cm7A1 LEU 10 H -0.09 0.83 0.20 -0.55 8.37 8.76 1cm7A1 LEU 10 HA -0.30 0.27 0.88 -0.75 4.35 4.44 1cm7A1 LEU 10 HB2 -0.25 0.03 0.07 -0.04 1.64 1.45 1cm7A1 LEU 10 HB3 -0.46 -0.13 -0.02 -0.04 1.64 0.99 1cm7A1 LEU 10 HG -0.05 0.04 -0.20 -0.04 1.64 1.40 1cm7A1 LEU 10 HD13 0.09 0.04 -0.40 -0.04 0.93 0.62 1cm7A1 LEU 10 HD23 0.08 -0.01 -0.15 -0.04 0.89 0.76 1cm7A1 PRO 11 HA -0.14 0.10 0.31 -0.51 4.44 4.20 1cm7A1 PRO 11 HB2 -0.06 0.05 -0.16 -0.04 2.28 2.08 1cm7A1 PRO 11 HB3 -0.04 -0.00 -0.20 -0.04 2.02 1.73 1cm7A1 PRO 11 HG2 0.04 0.06 0.02 -0.04 2.03 2.11 1cm7A1 PRO 11 HG3 -0.05 0.07 -0.03 -0.04 2.03 1.98 1cm7A1 PRO 11 HD2 -0.38 0.10 0.18 -0.04 3.68 3.54 1cm7A1 PRO 11 HD3 -0.47 0.27 -0.05 -0.04 3.65 3.36 1cm7A1 GLY 12 H -0.22 0.17 -0.00 -0.55 8.43 7.83 1cm7A1 GLY 12 HA2 -0.22 0.03 0.34 -0.51 4.01 3.64 1cm7A1 GLY 12 HA3 -0.22 0.54 0.89 -0.51 4.01 4.71 1cm7A1 ASP 13 H -0.07 0.47 0.35 -0.55 8.40 8.60 1cm7A1 ASP 13 HA 0.02 0.30 0.94 -0.75 4.63 5.13 1cm7A1 ASP 13 HB2 0.02 -0.30 -0.03 -0.04 2.71 2.35 1cm7A1 ASP 13 HB3 0.12 0.16 0.07 -0.04 2.70 3.01 1cm7A1 GLY 14 H 0.12 0.29 0.13 -0.55 8.43 8.42 1cm7A1 GLY 14 HA2 0.09 0.18 0.32 -0.51 4.01 4.10 1cm7A1 GLY 14 HA3 0.08 -0.11 0.39 -0.51 4.01 3.86 1cm7A1 ILE 15 H 0.05 0.09 0.31 -0.55 8.25 8.14 1cm7A1 ILE 15 HA 0.03 0.13 0.75 -0.75 4.18 4.33 1cm7A1 ILE 15 HB 0.03 0.04 0.03 -0.04 1.89 1.94 1cm7A1 ILE 15 HG12 0.04 -0.23 0.23 -0.04 1.49 1.49 1cm7A1 ILE 15 HG13 0.04 0.06 -0.04 -0.04 1.21 1.23 1cm7A1 ILE 15 HG23 0.03 0.01 -0.06 -0.04 0.93 0.86 1cm7A1 ILE 15 HD13 0.04 0.08 0.00 -0.04 0.88 0.96 1cm7A1 GLY 16 H 0.03 0.29 -0.15 -0.55 8.43 8.05 1cm7A1 GLY 16 HA2 0.00 0.03 0.32 -0.51 4.01 3.85 1cm7A1 GLY 16 HA3 -0.02 0.20 0.10 -0.51 4.01 3.78 1cm7A1 PRO 17 HA 0.01 0.08 0.37 -0.51 4.44 4.39 1cm7A1 PRO 17 HB2 0.03 0.07 -0.14 -0.04 2.28 2.20 1cm7A1 PRO 17 HB3 0.05 0.07 0.02 -0.04 2.02 2.11 1cm7A1 PRO 17 HG2 0.04 0.06 -0.08 -0.04 2.03 2.01 1cm7A1 PRO 17 HG3 0.01 0.12 -0.12 -0.04 2.03 1.99 1cm7A1 PRO 17 HD2 0.03 0.18 -0.43 -0.04 3.68 3.41 1cm7A1 PRO 17 HD3 0.01 0.01 -0.54 -0.04 3.65 3.08 1cm7A1 GLU 18 H 0.02 0.31 -0.23 -0.55 8.60 8.16 1cm7A1 GLU 18 HA 0.01 0.18 0.85 -0.75 4.29 4.58 1cm7A1 GLU 18 HB2 0.01 -0.02 0.10 -0.04 2.09 2.14 1cm7A1 GLU 18 HB3 0.02 0.02 0.06 -0.04 1.99 2.05 1cm7A1 GLU 18 HG2 0.02 0.25 0.07 -0.04 2.34 2.63 1cm7A1 GLU 18 HG3 0.01 -0.01 -0.22 -0.04 2.34 2.08 1cm7A1 VAL 19 H 0.01 0.38 -0.20 -0.55 8.24 7.87 1cm7A1 VAL 19 HA 0.00 0.14 0.72 -0.75 4.13 4.24 1cm7A1 VAL 19 HB 0.02 0.11 -0.08 -0.04 2.12 2.13 1cm7A1 VAL 19 HG13 0.02 0.02 -0.15 -0.04 0.97 0.82 1cm7A1 VAL 19 HG23 0.01 -0.01 -0.22 -0.04 0.95 0.70 1cm7A1 MET 20 H 0.00 0.27 0.03 -0.55 8.47 8.23 1cm7A1 MET 20 HA -0.00 0.14 0.53 -0.75 4.52 4.44 1cm7A1 MET 20 HB2 -0.02 0.11 0.07 -0.04 2.15 2.27 1cm7A1 MET 20 HB3 -0.00 0.00 0.04 -0.04 2.03 2.03 1cm7A1 MET 20 HG2 -0.02 -0.02 -0.12 -0.04 2.63 2.42 1cm7A1 MET 20 HG3 -0.01 -0.02 -0.10 -0.04 2.56 2.39 1cm7A1 MET 20 HE3 -0.05 -0.00 -0.40 -0.04 2.10 1.61 1cm7A1 THR 21 H 0.00 0.18 -0.45 -0.55 8.28 7.47 1cm7A1 THR 21 HA 0.00 0.08 0.34 -0.75 4.39 4.07 1cm7A1 THR 21 HB 0.00 0.05 -0.01 -0.04 4.32 4.32 1cm7A1 THR 21 HG23 -0.00 0.00 -0.11 -0.04 1.22 1.06 1cm7A1 GLN 22 H -0.00 0.17 -0.50 -0.55 8.47 7.59 1cm7A1 GLN 22 HA -0.01 0.08 0.39 -0.75 4.36 4.06 1cm7A1 GLN 22 HB2 -0.01 0.12 0.08 -0.04 2.15 2.30 1cm7A1 GLN 22 HB3 -0.02 -0.03 0.10 -0.04 2.02 2.03 1cm7A1 GLN 22 HG2 -0.00 0.13 0.11 -0.04 2.40 2.60 1cm7A1 GLN 22 HG3 -0.01 0.08 0.02 -0.04 2.39 2.44 1cm7A1 GLN 22 HE21 -0.01 -0.04 -0.09 -0.04 6.97 6.78 1cm7A1 GLN 22 HE22 -0.00 0.43 0.03 -0.04 7.69 8.10 1cm7A1 ALA 23 H -0.01 0.23 -0.47 -0.55 8.40 7.61 1cm7A1 ALA 23 HA -0.01 0.02 0.19 -0.75 4.34 3.79 1cm7A1 ALA 23 HB3 -0.01 0.04 -0.05 -0.04 1.41 1.35 1cm7A1 LEU 24 H -0.01 0.44 -0.25 -0.55 8.37 8.01 1cm7A1 LEU 24 HA -0.01 0.07 0.64 -0.75 4.35 4.30 1cm7A1 LEU 24 HB2 -0.00 0.09 0.08 -0.04 1.64 1.77 1cm7A1 LEU 24 HB3 -0.00 -0.02 0.02 -0.04 1.64 1.59 1cm7A1 LEU 24 HG -0.00 0.22 -0.04 -0.04 1.64 1.78 1cm7A1 LEU 24 HD13 0.01 -0.02 -0.07 -0.04 0.93 0.81 1cm7A1 LEU 24 HD23 -0.01 -0.01 -0.07 -0.04 0.89 0.76 1cm7A1 LYS 25 H -0.01 0.40 -0.22 -0.55 8.42 8.04 1cm7A1 LYS 25 HA -0.00 0.05 0.53 -0.75 4.32 4.14 1cm7A1 LYS 25 HB2 -0.01 0.21 0.18 -0.04 1.87 2.20 1cm7A1 LYS 25 HB3 -0.01 -0.01 -0.03 -0.04 1.79 1.69 1cm7A1 LYS 25 HG2 -0.01 -0.05 0.01 -0.04 1.46 1.37 1cm7A1 LYS 25 HG3 -0.01 0.20 0.02 -0.04 1.46 1.63 1cm7A1 LYS 25 HD2 -0.02 -0.01 -0.21 -0.04 1.69 1.40 1cm7A1 LYS 25 HD3 -0.02 0.00 -0.10 -0.04 1.68 1.52 1cm7A1 LYS 25 HE2 -0.01 -0.01 -0.07 -0.04 2.99 2.86 1cm7A1 LYS 25 HE3 -0.01 -0.02 -0.13 -0.04 2.99 2.79 1cm7A1 VAL 26 H -0.01 0.40 -0.06 -0.55 8.24 8.02 1cm7A1 VAL 26 HA 0.00 0.05 0.61 -0.75 4.13 4.04 1cm7A1 VAL 26 HB -0.01 0.08 0.13 -0.04 2.12 2.28 1cm7A1 VAL 26 HG13 0.00 0.01 -0.08 -0.04 0.97 0.86 1cm7A1 VAL 26 HG23 -0.02 0.04 0.01 -0.04 0.95 0.94 1cm7A1 LEU 27 H -0.01 0.49 -0.17 -0.55 8.37 8.14 1cm7A1 LEU 27 HA -0.01 0.03 0.36 -0.75 4.35 3.99 1cm7A1 LEU 27 HB2 -0.02 0.08 0.13 -0.04 1.64 1.79 1cm7A1 LEU 27 HB3 -0.01 0.09 0.11 -0.04 1.64 1.80 1cm7A1 LEU 27 HG 0.00 0.01 -0.27 -0.04 1.64 1.35 1cm7A1 LEU 27 HD13 -0.03 -0.01 -0.04 -0.04 0.93 0.81 1cm7A1 LEU 27 HD23 -0.02 -0.01 -0.10 -0.04 0.89 0.73 1cm7A1 ASP 28 H 0.01 0.38 -0.40 -0.55 8.40 7.85 1cm7A1 ASP 28 HA 0.02 0.04 0.56 -0.75 4.63 4.50 1cm7A1 ASP 28 HB2 0.01 0.17 0.20 -0.04 2.71 3.04 1cm7A1 ASP 28 HB3 0.01 0.11 0.10 -0.04 2.70 2.88 1cm7A1 ALA 29 H 0.02 0.33 -0.23 -0.55 8.40 7.97 1cm7A1 ALA 29 HA 0.02 0.05 0.53 -0.75 4.34 4.19 1cm7A1 ALA 29 HB3 0.02 0.01 0.15 -0.04 1.41 1.56 1cm7A1 VAL 30 H 0.06 0.56 -0.10 -0.55 8.24 8.21 1cm7A1 VAL 30 HA 0.26 0.02 0.47 -0.75 4.13 4.13 1cm7A1 VAL 30 HB 0.04 0.11 0.12 -0.04 2.12 2.35 1cm7A1 VAL 30 HG13 0.03 -0.02 -0.19 -0.04 0.97 0.75 1cm7A1 VAL 30 HG23 0.06 -0.00 -0.02 -0.04 0.95 0.95 1cm7A1 ARG 31 H 0.05 0.35 -0.37 -0.55 8.46 7.93 1cm7A1 ARG 31 HA 0.08 0.02 0.31 -0.75 4.34 4.00 1cm7A1 ARG 31 HB2 0.04 0.04 0.29 -0.04 1.90 2.22 1cm7A1 ARG 31 HB3 0.04 -0.04 0.16 -0.04 1.80 1.91 1cm7A1 ARG 31 HG2 0.06 0.16 0.15 -0.04 1.67 1.99 1cm7A1 ARG 31 HG3 0.04 0.04 0.06 -0.04 1.67 1.76 1cm7A1 ARG 31 HD2 0.04 -0.05 0.11 -0.04 3.22 3.27 1cm7A1 ARG 31 HD3 0.04 0.17 0.17 -0.04 3.22 3.57 1cm7A1 ASN 32 H 0.04 0.38 -0.24 -0.55 8.53 8.16 1cm7A1 ASN 32 HA 0.01 0.01 0.08 -0.75 4.76 4.11 1cm7A1 ASN 32 HB2 0.00 0.10 0.09 -0.04 2.88 3.03 1cm7A1 ASN 32 HB3 -0.01 -0.04 -0.00 -0.04 2.79 2.70 1cm7A1 ASN 32 HD21 0.01 -0.11 0.00 -0.04 7.03 6.90 1cm7A1 ASN 32 HD22 0.01 -0.00 0.00 -0.04 7.74 7.70 1cm7A1 ARG 33 H 0.01 0.43 -0.13 -0.55 8.46 8.21 1cm7A1 ARG 33 HA -0.16 0.07 0.52 -0.75 4.34 4.01 1cm7A1 ARG 33 HB2 -0.11 0.08 0.05 -0.04 1.90 1.88 1cm7A1 ARG 33 HB3 -0.37 -0.04 0.05 -0.04 1.80 1.41 1cm7A1 ARG 33 HG2 -0.45 -0.04 0.05 -0.04 1.67 1.19 1cm7A1 ARG 33 HG3 -0.22 0.05 -0.01 -0.04 1.67 1.45 1cm7A1 ARG 33 HD2 -1.39 -0.05 -0.10 -0.04 3.22 1.64 1cm7A1 ARG 33 HD3 -0.71 -0.07 -0.06 -0.04 3.22 2.34 1cm7A1 PHE 34 H 0.11 0.43 -0.10 -0.55 8.34 8.23 1cm7A1 PHE 34 HA 0.01 0.16 0.66 -0.75 4.62 4.69 1cm7A1 PHE 34 HB2 0.01 0.09 0.00 -0.04 3.15 3.20 1cm7A1 PHE 34 HB3 0.01 -0.03 0.07 -0.04 3.06 3.07 1cm7A1 PHE 34 HD2 -0.00 0.08 0.01 -0.04 7.28 7.32 1cm7A1 PHE 34 HE2 -0.01 -0.01 -0.08 -0.04 7.38 7.24 1cm7A1 PHE 34 HZ -0.01 0.02 -0.09 -0.04 7.32 7.20 1cm7A1 ALA 35 H 0.05 0.19 -0.31 -0.55 8.40 7.79 1cm7A1 ALA 35 HA 0.05 0.06 0.30 -0.75 4.34 3.99 1cm7A1 ALA 35 HB3 0.04 0.01 -0.06 -0.04 1.41 1.36 1cm7A1 MET 36 H 0.11 0.30 -0.03 -0.55 8.47 8.30 1cm7A1 MET 36 HA 0.11 0.29 0.77 -0.75 4.52 4.94 1cm7A1 MET 36 HB2 0.11 -0.02 -0.05 -0.04 2.15 2.15 1cm7A1 MET 36 HB3 0.14 -0.04 -0.23 -0.04 2.03 1.86 1cm7A1 MET 36 HG2 0.15 -0.36 0.11 -0.04 2.63 2.49 1cm7A1 MET 36 HG3 0.14 0.14 -0.18 -0.04 2.56 2.62 1cm7A1 MET 36 HE3 -0.10 0.02 -0.07 -0.04 2.10 1.91 1cm7A1 ARG 37 H 0.09 0.55 0.31 -0.55 8.46 8.85 1cm7A1 ARG 37 HA 0.06 0.13 0.70 -0.75 4.34 4.48 1cm7A1 ARG 37 HB2 -0.00 -0.17 0.38 -0.04 1.90 2.06 1cm7A1 ARG 37 HB3 0.02 -0.01 0.11 -0.04 1.80 1.87 1cm7A1 ARG 37 HG2 0.03 0.08 -0.27 -0.04 1.67 1.47 1cm7A1 ARG 37 HG3 0.01 -0.01 0.00 -0.04 1.67 1.63 1cm7A1 ARG 37 HD2 0.02 0.02 -0.06 -0.04 3.22 3.15 1cm7A1 ARG 37 HD3 0.01 -0.04 -0.02 -0.04 3.22 3.13 1cm7A1 ILE 38 H 0.08 0.32 0.13 -0.55 8.25 8.23 1cm7A1 ILE 38 HA 0.15 0.33 0.84 -0.75 4.18 4.75 1cm7A1 ILE 38 HB 0.05 -0.01 0.07 -0.04 1.89 1.96 1cm7A1 ILE 38 HG12 0.17 0.01 -0.11 -0.04 1.49 1.52 1cm7A1 ILE 38 HG13 0.19 -0.07 -0.66 -0.04 1.21 0.62 1cm7A1 ILE 38 HG23 0.03 -0.02 -0.25 -0.04 0.93 0.65 1cm7A1 ILE 38 HD13 -0.00 0.01 -0.15 -0.04 0.88 0.69 1cm7A1 THR 39 H 0.14 0.60 0.27 -0.55 8.28 8.73 1cm7A1 THR 39 HA 0.08 0.13 0.91 -0.75 4.39 4.76 1cm7A1 THR 39 HB 0.21 0.04 0.07 -0.04 4.32 4.60 1cm7A1 THR 39 HG23 0.07 -0.01 -0.04 -0.04 1.22 1.21 1cm7A1 THR 40 H 0.05 0.18 0.19 -0.55 8.28 8.16 1cm7A1 THR 40 HA -0.26 0.21 0.99 -0.75 4.39 4.57 1cm7A1 THR 40 HB -0.06 0.08 0.09 -0.04 4.32 4.39 1cm7A1 THR 40 HG23 -0.04 0.00 -0.19 -0.04 1.22 0.95 1cm7A1 SER 41 H -0.13 0.52 0.26 -0.55 8.46 8.57 1cm7A1 SER 41 HA -0.02 0.11 0.58 -0.75 4.49 4.41 1cm7A1 SER 41 HB2 0.13 -0.01 0.03 -0.04 3.95 4.05 1cm7A1 SER 41 HB3 -0.31 0.02 -0.00 -0.04 3.93 3.60 1cm7A1 HIS 42 H -0.11 0.15 0.14 -0.55 8.41 8.04 1cm7A1 HIS 42 HA -0.15 0.37 1.03 -0.75 4.63 5.13 1cm7A1 HIS 42 HB2 -0.09 -0.00 0.01 -0.04 3.26 3.14 1cm7A1 HIS 42 HB3 -0.12 -0.03 0.10 -0.04 3.20 3.11 1cm7A1 HIS 42 HD2 -0.05 -0.01 -0.04 -0.04 6.97 6.82 1cm7A1 HIS 42 HE1 -0.01 -0.08 -0.21 -0.04 7.75 7.40 1cm7A1 TYR 43 H -0.47 0.54 0.41 -0.55 8.29 8.21 1cm7A1 TYR 43 HA 0.06 0.12 0.91 -0.75 4.56 4.89 1cm7A1 TYR 43 HB2 -0.09 0.02 -0.06 -0.04 3.06 2.88 1cm7A1 TYR 43 HB3 -0.05 -0.01 -0.03 -0.04 2.98 2.84 1cm7A1 TYR 43 HD2 0.01 -0.04 -0.11 -0.04 7.15 6.96 1cm7A1 TYR 43 HE2 0.07 0.03 -0.12 -0.04 6.85 6.79 1cm7A1 ASP 44 H 0.09 0.14 0.15 -0.55 8.40 8.23 1cm7A1 ASP 44 HA -0.04 0.07 0.69 -0.75 4.63 4.60 1cm7A1 ASP 44 HB2 -0.01 0.01 0.06 -0.04 2.71 2.73 1cm7A1 ASP 44 HB3 0.05 -0.06 -0.16 -0.04 2.70 2.49 1cm7A1 VAL 45 H -0.10 0.20 0.20 -0.55 8.24 7.98 1cm7A1 VAL 45 HA -0.07 0.31 0.73 -0.75 4.13 4.33 1cm7A1 VAL 45 HB -0.11 0.09 -0.46 -0.04 2.12 1.60 1cm7A1 VAL 45 HG13 -0.36 -0.04 -0.18 -0.04 0.97 0.35 1cm7A1 VAL 45 HG23 0.05 0.01 0.05 -0.04 0.95 1.01 1cm7A1 GLY 46 H -0.08 0.85 0.35 -0.55 8.43 9.00 1cm7A1 GLY 46 HA2 -0.16 0.07 0.43 -0.51 4.01 3.84 1cm7A1 GLY 46 HA3 -0.21 -0.10 0.37 -0.51 4.01 3.57 1cm7A1 GLY 47 H -0.65 0.04 0.23 -0.55 8.43 7.50 1cm7A1 GLY 47 HA2 -2.07 0.11 0.32 -0.51 4.01 1.85 1cm7A1 GLY 47 HA3 -2.74 0.04 0.36 -0.51 4.01 1.15 1cm7A1 ALA 48 H -0.33 0.18 -0.08 -0.55 8.40 7.62 1cm7A1 ALA 48 HA 0.09 0.11 0.29 -0.75 4.34 4.07 1cm7A1 ALA 48 HB3 0.01 0.03 0.06 -0.04 1.41 1.47 1cm7A1 ALA 49 H -0.13 0.19 -0.65 -0.55 8.40 7.27 1cm7A1 ALA 49 HA 0.23 0.07 0.59 -0.75 4.34 4.47 1cm7A1 ALA 49 HB3 -0.04 0.02 -0.30 -0.04 1.41 1.05 1cm7A1 ILE 50 H -0.12 0.58 -0.15 -0.55 8.25 8.00 1cm7A1 ILE 50 HA 0.05 -0.06 0.35 -0.75 4.18 3.77 1cm7A1 ILE 50 HB -0.06 0.39 0.22 -0.04 1.89 2.39 1cm7A1 ILE 50 HG12 -0.32 0.49 -0.12 -0.04 1.49 1.50 1cm7A1 ILE 50 HG13 -0.35 -0.15 -0.14 -0.04 1.21 0.53 1cm7A1 ILE 50 HG23 0.36 -0.00 -0.09 -0.04 0.93 1.15 1cm7A1 ILE 50 HD13 -0.00 -0.05 -0.43 -0.04 0.88 0.36 1cm7A1 ASP 51 H 0.12 0.30 -0.33 -0.55 8.40 7.94 1cm7A1 ASP 51 HA 0.16 0.07 -0.04 -0.75 4.63 4.06 1cm7A1 ASP 51 HB2 0.17 0.06 0.10 -0.04 2.71 3.00 1cm7A1 ASP 51 HB3 0.15 0.01 0.07 -0.04 2.70 2.89 1cm7A1 ASN 52 H 0.10 0.01 -0.56 -0.55 8.53 7.54 1cm7A1 ASN 52 HA -0.09 0.19 0.86 -0.75 4.76 4.97 1cm7A1 ASN 52 HB2 0.19 0.11 0.21 -0.04 2.88 3.35 1cm7A1 ASN 52 HB3 -0.50 -0.04 -0.07 -0.04 2.79 2.15 1cm7A1 ASN 52 HD21 0.03 -0.02 0.00 -0.04 7.03 7.00 1cm7A1 ASN 52 HD22 -0.05 -0.01 0.01 -0.04 7.74 7.64 1cm7A1 HIS 53 H 0.13 0.48 0.16 -0.55 8.41 8.64 1cm7A1 HIS 53 HA 0.03 0.15 0.73 -0.75 4.63 4.79 1cm7A1 HIS 53 HB2 0.02 0.03 0.02 -0.04 3.26 3.29 1cm7A1 HIS 53 HB3 0.02 -0.04 0.12 -0.04 3.20 3.26 1cm7A1 HIS 53 HD2 0.03 -0.01 0.00 -0.04 6.97 6.95 1cm7A1 HIS 53 HE1 0.05 -0.02 -0.04 -0.04 7.75 7.70 1cm7A1 GLY 54 H 0.08 0.22 0.06 -0.55 8.43 8.24 1cm7A1 GLY 54 HA2 0.08 0.17 0.47 -0.51 4.01 4.23 1cm7A1 GLY 54 HA3 0.06 -0.01 0.44 -0.51 4.01 4.00 1cm7A1 GLN 55 H 0.08 0.36 -0.26 -0.55 8.47 8.09 1cm7A1 GLN 55 HA 0.03 0.20 0.61 -0.75 4.36 4.45 1cm7A1 GLN 55 HB2 0.05 -0.10 -0.32 -0.04 2.15 1.74 1cm7A1 GLN 55 HB3 0.01 -0.05 -0.35 -0.04 2.02 1.59 1cm7A1 GLN 55 HG2 0.03 0.06 -0.07 -0.04 2.40 2.38 1cm7A1 GLN 55 HG3 0.07 0.41 -0.63 -0.04 2.39 2.20 1cm7A1 GLN 55 HE21 0.05 -0.11 0.05 -0.04 6.97 6.92 1cm7A1 GLN 55 HE22 0.11 0.19 0.01 -0.04 7.69 7.97 1cm7A1 PRO 56 HA -0.09 -0.01 0.43 -0.51 4.44 4.26 1cm7A1 PRO 56 HB2 -0.02 0.04 -0.14 -0.04 2.28 2.12 1cm7A1 PRO 56 HB3 -0.03 -0.06 -0.32 -0.04 2.02 1.58 1cm7A1 PRO 56 HG2 -0.01 0.15 0.08 -0.04 2.03 2.21 1cm7A1 PRO 56 HG3 0.00 0.13 0.02 -0.04 2.03 2.15 1cm7A1 PRO 56 HD2 0.01 0.17 0.11 -0.04 3.68 3.92 1cm7A1 PRO 56 HD3 0.01 0.13 0.03 -0.04 3.65 3.78 1cm7A1 LEU 57 H -0.02 0.22 -0.24 -0.55 8.37 7.78 1cm7A1 LEU 57 HA -0.03 0.11 0.84 -0.75 4.35 4.52 1cm7A1 LEU 57 HB2 -0.00 0.13 0.03 -0.04 1.64 1.76 1cm7A1 LEU 57 HB3 -0.02 0.02 0.20 -0.04 1.64 1.80 1cm7A1 LEU 57 HG 0.05 -0.09 0.06 -0.04 1.64 1.61 1cm7A1 LEU 57 HD13 -0.00 0.01 0.00 -0.04 0.93 0.90 1cm7A1 LEU 57 HD23 -0.01 0.03 -0.07 -0.04 0.89 0.79 1cm7A1 PRO 58 HA -0.03 0.15 0.40 -0.51 4.44 4.44 1cm7A1 PRO 58 HB2 -0.21 -0.17 0.02 -0.04 2.28 1.88 1cm7A1 PRO 58 HB3 -0.23 0.08 0.09 -0.04 2.02 1.92 1cm7A1 PRO 58 HG2 -0.31 0.01 -0.06 -0.04 2.03 1.62 1cm7A1 PRO 58 HG3 -0.08 0.09 -0.08 -0.04 2.03 1.91 1cm7A1 PRO 58 HD2 -0.09 0.20 0.13 -0.04 3.68 3.89 1cm7A1 PRO 58 HD3 -0.05 0.25 -0.49 -0.04 3.65 3.32 1cm7A1 PRO 59 HA -0.07 0.16 0.57 -0.51 4.44 4.58 1cm7A1 PRO 59 HB2 -0.04 0.04 -0.00 -0.04 2.28 2.24 1cm7A1 PRO 59 HB3 -0.04 0.09 0.12 -0.04 2.02 2.15 1cm7A1 PRO 59 HG2 -0.01 -0.04 0.11 -0.04 2.03 2.05 1cm7A1 PRO 59 HG3 -0.00 0.10 0.09 -0.04 2.03 2.18 1cm7A1 PRO 59 HD2 -0.01 0.08 0.24 -0.04 3.68 3.94 1cm7A1 PRO 59 HD3 -0.01 0.22 0.19 -0.04 3.65 4.01 1cm7A1 ALA 60 H -0.04 0.16 -0.07 -0.55 8.40 7.90 1cm7A1 ALA 60 HA -0.02 0.12 0.53 -0.75 4.34 4.21 1cm7A1 ALA 60 HB3 0.02 0.03 0.05 -0.04 1.41 1.47 1cm7A1 THR 61 H -0.10 0.09 -0.41 -0.55 8.28 7.31 1cm7A1 THR 61 HA -0.43 0.04 0.41 -0.75 4.39 3.65 1cm7A1 THR 61 HB -0.10 0.28 -0.01 -0.04 4.32 4.46 1cm7A1 THR 61 HG23 -0.07 -0.01 -0.21 -0.04 1.22 0.89 1cm7A1 VAL 62 H -0.10 0.28 -0.28 -0.55 8.24 7.59 1cm7A1 VAL 62 HA 0.04 0.05 0.46 -0.75 4.13 3.92 1cm7A1 VAL 62 HB -0.13 0.18 0.14 -0.04 2.12 2.27 1cm7A1 VAL 62 HG13 -0.34 -0.00 -0.10 -0.04 0.97 0.49 1cm7A1 VAL 62 HG23 -0.11 0.03 0.01 -0.04 0.95 0.85 1cm7A1 GLU 63 H -0.07 0.34 -0.21 -0.55 8.60 8.11 1cm7A1 GLU 63 HA 0.02 0.05 0.42 -0.75 4.29 4.02 1cm7A1 GLU 63 HB2 -0.03 0.15 0.19 -0.04 2.09 2.35 1cm7A1 GLU 63 HB3 0.01 -0.01 -0.08 -0.04 1.99 1.87 1cm7A1 GLU 63 HG2 -0.00 -0.00 0.02 -0.04 2.34 2.31 1cm7A1 GLU 63 HG3 -0.03 0.09 0.05 -0.04 2.34 2.41 1cm7A1 GLY 64 H -0.23 0.53 -0.12 -0.55 8.43 8.06 1cm7A1 GLY 64 HA2 0.07 0.03 0.41 -0.51 4.01 4.01 1cm7A1 GLY 64 HA3 -0.69 0.01 0.24 -0.51 4.01 3.06 1cm7A1 CYS 65 H -0.14 0.42 -0.31 -0.55 8.50 7.92 1cm7A1 CYS 65 HA 0.11 0.02 0.53 -0.75 4.58 4.48 1cm7A1 CYS 65 HB2 0.25 0.09 0.11 -0.04 2.97 3.39 1cm7A1 CYS 65 HB3 0.13 -0.02 -0.04 -0.04 2.97 3.00 1cm7A1 GLU 66 H 0.20 0.59 -0.05 -0.55 8.60 8.80 1cm7A1 GLU 66 HA 0.23 0.01 0.46 -0.75 4.29 4.24 1cm7A1 GLU 66 HB2 0.11 0.13 0.11 -0.04 2.09 2.40 1cm7A1 GLU 66 HB3 0.12 -0.07 0.05 -0.04 1.99 2.05 1cm7A1 GLU 66 HG2 0.36 -0.06 0.01 -0.04 2.34 2.61 1cm7A1 GLU 66 HG3 0.22 0.61 0.12 -0.04 2.34 3.24 1cm7A1 GLN 67 H 0.12 0.26 -0.56 -0.55 8.47 7.74 1cm7A1 GLN 67 HA 0.10 0.10 0.59 -0.75 4.36 4.40 1cm7A1 GLN 67 HB2 0.14 0.06 0.08 -0.04 2.15 2.38 1cm7A1 GLN 67 HB3 0.09 -0.09 0.12 -0.04 2.02 2.10 1cm7A1 GLN 67 HG2 0.06 -0.06 -0.04 -0.04 2.40 2.31 1cm7A1 GLN 67 HG3 0.07 0.07 -0.08 -0.04 2.39 2.41 1cm7A1 GLN 67 HE21 0.05 -0.11 -0.15 -0.04 6.97 6.72 1cm7A1 GLN 67 HE22 0.04 0.04 -0.12 -0.04 7.69 7.61 1cm7A1 ALA 68 H 0.20 0.41 -0.43 -0.55 8.40 8.03 1cm7A1 ALA 68 HA 0.30 0.08 0.54 -0.75 4.34 4.50 1cm7A1 ALA 68 HB3 0.17 0.01 0.12 -0.04 1.41 1.67 1cm7A1 ASP 69 H 0.14 0.70 0.44 -0.55 8.40 9.13 1cm7A1 ASP 69 HA 0.19 0.17 0.93 -0.75 4.63 5.17 1cm7A1 ASP 69 HB2 0.10 -0.03 0.11 -0.04 2.71 2.85 1cm7A1 ASP 69 HB3 0.12 0.08 0.10 -0.04 2.70 2.96 1cm7A1 ALA 70 H -0.01 0.22 0.20 -0.55 8.40 8.26 1cm7A1 ALA 70 HA -0.72 0.10 0.55 -0.75 4.34 3.51 1cm7A1 ALA 70 HB3 -0.09 0.04 -0.05 -0.04 1.41 1.26 1cm7A1 VAL 71 H -0.34 0.59 0.33 -0.55 8.24 8.27 1cm7A1 VAL 71 HA -0.02 0.24 1.04 -0.75 4.13 4.64 1cm7A1 VAL 71 HB -0.07 -0.04 0.24 -0.04 2.12 2.21 1cm7A1 VAL 71 HG13 0.14 -0.03 -0.19 -0.04 0.97 0.85 1cm7A1 VAL 71 HG23 0.01 0.00 -0.09 -0.04 0.95 0.83 1cm7A1 LEU 72 H 0.01 0.78 0.29 -0.55 8.37 8.91 1cm7A1 LEU 72 HA 0.10 0.23 0.94 -0.75 4.35 4.87 1cm7A1 LEU 72 HB2 -0.02 0.02 0.02 -0.04 1.64 1.61 1cm7A1 LEU 72 HB3 -0.01 -0.07 0.17 -0.04 1.64 1.69 1cm7A1 LEU 72 HG 0.02 -0.04 -0.24 -0.04 1.64 1.34 1cm7A1 LEU 72 HD13 0.03 0.05 -0.10 -0.04 0.93 0.87 1cm7A1 LEU 72 HD23 -0.03 -0.02 -0.10 -0.04 0.89 0.70 1cm7A1 PHE 73 H 0.19 0.79 0.29 -0.55 8.34 9.07 1cm7A1 PHE 73 HA -0.02 0.16 0.68 -0.75 4.62 4.69 1cm7A1 PHE 73 HB2 -0.01 -0.06 -0.20 -0.04 3.15 2.83 1cm7A1 PHE 73 HB3 -0.01 0.09 -0.09 -0.04 3.06 3.02 1cm7A1 PHE 73 HD2 -0.00 0.16 -0.38 -0.04 7.28 7.02 1cm7A1 PHE 73 HE2 -0.01 -0.08 -0.29 -0.04 7.38 6.96 1cm7A1 PHE 73 HZ -0.03 -0.14 -0.20 -0.04 7.32 6.91 1cm7A1 GLY 74 H -0.54 0.34 0.12 -0.55 8.43 7.80 1cm7A1 GLY 74 HA2 0.09 0.16 0.85 -0.51 4.01 4.59 1cm7A1 GLY 74 HA3 -0.05 0.06 0.57 -0.51 4.01 4.08 1cm7A1 SER 75 H -0.05 0.73 0.51 -0.55 8.46 9.10 1cm7A1 SER 75 HA 0.17 0.23 0.73 -0.75 4.49 4.86 1cm7A1 SER 75 HB2 0.03 -0.06 0.21 -0.04 3.95 4.10 1cm7A1 SER 75 HB3 0.06 -0.16 0.09 -0.04 3.93 3.88 1cm7A1 VAL 76 H 0.10 0.24 0.07 -0.55 8.24 8.11 1cm7A1 VAL 76 HA -0.05 -0.10 1.00 -0.75 4.13 4.22 1cm7A1 VAL 76 HB 0.26 0.15 -0.43 -0.04 2.12 2.05 1cm7A1 VAL 76 HG13 0.14 0.03 -0.05 -0.04 0.97 1.04 1cm7A1 VAL 76 HG23 -0.04 0.01 -0.05 -0.04 0.95 0.83 1cm7A1 GLY 77 H -0.03 0.06 0.10 -0.55 8.43 8.01 1cm7A1 GLY 77 HA2 0.12 0.01 0.27 -0.51 4.01 3.90 1cm7A1 GLY 77 HA3 0.11 0.23 0.72 -0.51 4.01 4.56 1cm7A1 GLY 78 H 0.13 0.07 -0.01 -0.55 8.43 8.07 1cm7A1 GLY 78 HA2 0.13 -0.05 0.35 -0.51 4.01 3.93 1cm7A1 GLY 78 HA3 0.23 -0.11 0.08 -0.51 4.01 3.70 1cm7A1 PRO 79 HA -0.05 0.16 0.76 -0.51 4.44 4.79 1cm7A1 PRO 79 HB2 -0.92 -0.18 0.23 -0.04 2.28 1.37 1cm7A1 PRO 79 HB3 -0.21 0.11 0.17 -0.04 2.02 2.06 1cm7A1 PRO 79 HG2 0.55 0.01 0.09 -0.04 2.03 2.64 1cm7A1 PRO 79 HG3 0.13 0.11 0.09 -0.04 2.03 2.32 1cm7A1 PRO 79 HD2 0.53 -0.11 0.08 -0.04 3.68 4.14 1cm7A1 PRO 79 HD3 0.21 0.07 0.00 -0.04 3.65 3.88 1cm7A1 LYS 80 H -1.95 0.08 0.02 -0.55 8.42 6.01 1cm7A1 LYS 80 HA -0.35 0.24 0.35 -0.75 4.32 3.80 1cm7A1 LYS 80 HB2 -0.37 0.07 0.05 -0.04 1.87 1.57 1cm7A1 LYS 80 HB3 -0.38 -0.01 -0.06 -0.04 1.79 1.29 1cm7A1 LYS 80 HG2 -0.76 0.02 0.23 -0.04 1.46 0.91 1cm7A1 LYS 80 HG3 -0.38 0.04 0.07 -0.04 1.46 1.15 1cm7A1 LYS 80 HD2 -0.53 -0.02 0.10 -0.04 1.69 1.19 1cm7A1 LYS 80 HD3 -1.67 -0.08 0.10 -0.04 1.68 -0.01 1cm7A1 LYS 80 HE2 -0.35 0.03 0.04 -0.04 2.99 2.67 1cm7A1 LYS 80 HE3 -0.23 0.04 0.04 -0.04 2.99 2.80 1cm7A1 TRP 81 H 0.02 0.24 0.01 -0.55 7.97 7.70 1cm7A1 TRP 81 HA -0.01 0.25 0.98 -0.75 4.62 5.09 1cm7A1 TRP 81 HB2 0.00 0.02 0.02 -0.04 3.23 3.23 1cm7A1 TRP 81 HB3 0.01 -0.12 0.18 -0.04 3.23 3.27 1cm7A1 TRP 81 HD1 0.02 0.05 0.01 -0.04 7.22 7.26 1cm7A1 TRP 81 HE1 0.02 0.08 -0.00 -0.04 10.20 10.26 1cm7A1 TRP 81 HE3 0.00 0.35 -0.14 -0.04 7.59 7.77 1cm7A1 TRP 81 HZ2 0.02 0.12 -0.14 -0.04 7.44 7.39 1cm7A1 TRP 81 HZ3 0.01 0.04 -0.07 -0.04 7.13 7.07 1cm7A1 TRP 81 HH2 0.01 0.03 0.01 -0.04 7.19 7.20 1cm7A1 GLU 82 H 0.34 0.08 0.14 -0.55 8.60 8.61 1cm7A1 GLU 82 HA 0.14 0.30 0.39 -0.75 4.29 4.37 1cm7A1 GLU 82 HB2 0.14 -0.13 0.05 -0.04 2.09 2.11 1cm7A1 GLU 82 HB3 0.09 0.07 0.26 -0.04 1.99 2.36 1cm7A1 GLU 82 HG2 0.10 0.31 0.30 -0.04 2.34 3.01 1cm7A1 GLU 82 HG3 0.09 -0.21 0.17 -0.04 2.34 2.34 1cm7A1 HIS 83 H 0.16 -0.10 -0.21 -0.55 8.41 7.72 1cm7A1 HIS 83 HA 0.03 0.16 0.69 -0.75 4.63 4.75 1cm7A1 HIS 83 HB2 0.02 -0.02 -0.02 -0.04 3.26 3.20 1cm7A1 HIS 83 HB3 0.02 -0.01 -0.06 -0.04 3.20 3.10 1cm7A1 HIS 83 HD2 0.01 0.04 0.14 -0.04 6.97 7.12 1cm7A1 HIS 83 HE1 -0.02 -0.02 -0.01 -0.04 7.75 7.66 1cm7A1 LEU 84 H 0.15 -0.13 0.08 -0.55 8.37 7.91 1cm7A1 LEU 84 HA 0.06 0.19 0.74 -0.75 4.35 4.59 1cm7A1 LEU 84 HB2 0.08 -0.05 0.07 -0.04 1.64 1.69 1cm7A1 LEU 84 HB3 0.08 0.01 0.18 -0.04 1.64 1.87 1cm7A1 LEU 84 HG 0.04 0.03 0.10 -0.04 1.64 1.76 1cm7A1 LEU 84 HD13 0.04 -0.01 0.01 -0.04 0.93 0.93 1cm7A1 LEU 84 HD23 0.04 0.04 -0.02 -0.04 0.89 0.91 1cm7A1 PRO 85 HA 0.06 0.25 0.58 -0.51 4.44 4.82 1cm7A1 PRO 85 HB2 0.03 0.02 0.13 -0.04 2.28 2.42 1cm7A1 PRO 85 HB3 0.05 0.01 0.05 -0.04 2.02 2.09 1cm7A1 PRO 85 HG2 0.04 0.04 -0.03 -0.04 2.03 2.03 1cm7A1 PRO 85 HG3 0.06 0.10 -0.26 -0.04 2.03 1.90 1cm7A1 PRO 85 HD2 0.04 0.08 0.07 -0.04 3.68 3.82 1cm7A1 PRO 85 HD3 0.06 0.36 -0.02 -0.04 3.65 4.00 1cm7A1 PRO 86 HA 0.04 0.10 0.19 -0.51 4.44 4.25 1cm7A1 PRO 86 HB2 0.02 0.06 -0.01 -0.04 2.28 2.31 1cm7A1 PRO 86 HB3 0.02 0.07 0.09 -0.04 2.02 2.15 1cm7A1 PRO 86 HG2 0.01 0.09 0.05 -0.04 2.03 2.14 1cm7A1 PRO 86 HG3 0.02 0.08 0.04 -0.04 2.03 2.13 1cm7A1 PRO 86 HD2 0.02 0.02 0.21 -0.04 3.68 3.89 1cm7A1 PRO 86 HD3 0.02 0.19 -0.34 -0.04 3.65 3.48 1cm7A1 ASP 87 H 0.02 0.25 0.13 -0.55 8.40 8.26 1cm7A1 ASP 87 HA 0.02 0.04 0.46 -0.75 4.63 4.40 1cm7A1 ASP 87 HB2 0.02 -0.01 0.10 -0.04 2.71 2.78 1cm7A1 ASP 87 HB3 0.01 0.08 0.03 -0.04 2.70 2.77 1cm7A1 GLN 88 H 0.03 0.26 -0.68 -0.55 8.47 7.53 1cm7A1 GLN 88 HA 0.03 0.19 0.38 -0.75 4.36 4.20 1cm7A1 GLN 88 HB2 0.04 0.07 0.01 -0.04 2.15 2.23 1cm7A1 GLN 88 HB3 0.06 0.05 -0.00 -0.04 2.02 2.08 1cm7A1 GLN 88 HG2 0.04 0.02 0.05 -0.04 2.40 2.47 1cm7A1 GLN 88 HG3 0.04 0.01 0.01 -0.04 2.39 2.41 1cm7A1 GLN 88 HE21 0.11 -0.05 -0.05 -0.04 6.97 6.93 1cm7A1 GLN 88 HE22 0.06 -0.03 -0.13 -0.04 7.69 7.56 1cm7A1 GLN 89 H 0.03 0.21 -0.42 -0.55 8.47 7.75 1cm7A1 GLN 89 HA 0.06 0.20 0.45 -0.75 4.36 4.32 1cm7A1 PRO 90 HA -0.07 0.03 0.42 -0.51 4.44 4.31 1cm7A1 PRO 90 HB2 0.01 -0.04 0.09 -0.04 2.28 2.30 1cm7A1 PRO 90 HB3 -0.09 -0.09 -0.14 -0.04 2.02 1.66 1cm7A1 PRO 90 HG2 0.01 0.09 0.03 -0.04 2.03 2.13 1cm7A1 PRO 90 HG3 -0.39 -0.05 -0.09 -0.04 2.03 1.46 1cm7A1 PRO 90 HD2 0.05 0.18 0.06 -0.04 3.68 3.93 1cm7A1 PRO 90 HD3 -0.08 0.23 -0.28 -0.04 3.65 3.48 1cm7A1 GLU 91 H 0.02 0.18 -0.02 -0.55 8.60 8.23 1cm7A1 GLU 91 HA 0.03 0.09 0.27 -0.75 4.29 3.92 1cm7A1 GLU 91 HB2 0.02 -0.05 0.20 -0.04 2.09 2.22 1cm7A1 GLU 91 HB3 0.01 0.11 0.10 -0.04 1.99 2.17 1cm7A1 GLU 91 HG2 0.04 0.06 0.14 -0.04 2.34 2.53 1cm7A1 GLU 91 HG3 0.04 -0.13 0.17 -0.04 2.34 2.38 1cm7A1 ARG 92 H 0.02 0.09 -0.04 -0.55 8.46 7.98 1cm7A1 ARG 92 HA 0.01 0.06 0.16 -0.75 4.34 3.81 1cm7A1 ARG 92 HB2 0.02 0.26 0.20 -0.04 1.90 2.35 1cm7A1 ARG 92 HB3 0.02 -0.03 -0.17 -0.04 1.80 1.57 1cm7A1 ARG 92 HG2 0.02 -0.04 -0.04 -0.04 1.67 1.57 1cm7A1 ARG 92 HG3 0.02 0.03 -0.04 -0.04 1.67 1.64 1cm7A1 ARG 92 HD2 0.02 0.07 0.03 -0.04 3.22 3.30 1cm7A1 ARG 92 HD3 0.02 -0.05 0.02 -0.04 3.22 3.16 1cm7A1 GLY 93 H 0.01 -0.01 -0.64 -0.55 8.43 7.24 1cm7A1 GLY 93 HA2 0.01 0.05 0.12 -0.51 4.01 3.68 1cm7A1 GLY 93 HA3 0.01 0.24 0.32 -0.51 4.01 4.06 1cm7A1 ALA 94 H 0.02 0.48 -0.24 -0.55 8.40 8.12 1cm7A1 ALA 94 HA 0.04 0.14 0.86 -0.75 4.34 4.63 1cm7A1 ALA 94 HB3 0.11 -0.04 0.07 -0.04 1.41 1.50 1cm7A1 LEU 95 H 0.01 0.57 0.17 -0.55 8.37 8.58 1cm7A1 LEU 95 HA -0.07 0.02 -0.16 -0.75 4.35 3.38 1cm7A1 LEU 95 HB2 -0.16 -0.09 0.07 -0.04 1.64 1.42 1cm7A1 LEU 95 HB3 -0.06 0.10 0.10 -0.04 1.64 1.73 1cm7A1 LEU 95 HG -0.12 0.01 -0.20 -0.04 1.64 1.30 1cm7A1 LEU 95 HD13 -0.45 -0.00 -0.05 -0.04 0.93 0.39 1cm7A1 LEU 95 HD23 -0.17 -0.00 -0.08 -0.04 0.89 0.60 1cm7A1 LEU 96 H 0.00 0.33 -0.01 -0.55 8.37 8.15 1cm7A1 LEU 96 HA 0.00 0.11 0.65 -0.75 4.35 4.36 1cm7A1 LEU 96 HB2 0.02 0.09 -0.04 -0.04 1.64 1.66 1cm7A1 LEU 96 HB3 0.02 -0.01 0.03 -0.04 1.64 1.64 1cm7A1 LEU 96 HG 0.01 0.14 0.07 -0.04 1.64 1.81 1cm7A1 LEU 96 HD13 0.03 -0.01 -0.03 -0.04 0.93 0.87 1cm7A1 LEU 96 HD23 0.00 -0.03 -0.16 -0.04 0.89 0.66 1cm7A1 PRO 97 HA 0.00 0.04 0.63 -0.51 4.44 4.60 1cm7A1 PRO 97 HB2 0.01 0.15 -0.00 -0.04 2.28 2.40 1cm7A1 PRO 97 HB3 -0.02 0.00 0.03 -0.04 2.02 1.99 1cm7A1 PRO 97 HG2 0.00 0.24 -0.05 -0.04 2.03 2.18 1cm7A1 PRO 97 HG3 -0.00 -0.03 0.04 -0.04 2.03 2.00 1cm7A1 PRO 97 HD2 0.01 -0.00 -0.19 -0.04 3.68 3.45 1cm7A1 PRO 97 HD3 0.01 0.10 0.01 -0.04 3.65 3.72 1cm7A1 LEU 98 H 0.06 0.51 -0.21 -0.55 8.37 8.18 1cm7A1 LEU 98 HA 0.21 0.05 0.43 -0.75 4.35 4.29 1cm7A1 LEU 98 HB2 0.10 0.13 0.02 -0.04 1.64 1.85 1cm7A1 LEU 98 HB3 0.17 0.04 -0.09 -0.04 1.64 1.72 1cm7A1 LEU 98 HG 0.32 0.01 -0.08 -0.04 1.64 1.85 1cm7A1 LEU 98 HD13 0.32 0.00 -0.05 -0.04 0.93 1.16 1cm7A1 LEU 98 HD23 0.19 0.00 -0.12 -0.04 0.89 0.92 1cm7A1 ARG 99 H 0.06 0.40 -0.16 -0.55 8.46 8.21 1cm7A1 ARG 99 HA 0.09 0.01 0.31 -0.75 4.34 3.99 1cm7A1 ARG 99 HB2 0.02 0.01 0.28 -0.04 1.90 2.17 1cm7A1 ARG 99 HB3 0.02 0.03 -0.08 -0.04 1.80 1.73 1cm7A1 ARG 99 HG2 0.00 -0.02 -0.01 -0.04 1.67 1.59 1cm7A1 ARG 99 HG3 0.00 0.04 0.04 -0.04 1.67 1.71 1cm7A1 ARG 99 HD2 -0.02 -0.05 0.02 -0.04 3.22 3.13 1cm7A1 ARG 99 HD3 -0.04 0.05 -0.01 -0.04 3.22 3.18 1cm7A1 LYS 100 H 0.03 0.55 -0.27 -0.55 8.42 8.18 1cm7A1 LYS 100 HA -0.01 -0.02 0.37 -0.75 4.32 3.91 1cm7A1 LYS 100 HB2 0.00 0.22 0.24 -0.04 1.87 2.29 1cm7A1 LYS 100 HB3 -0.00 0.03 0.02 -0.04 1.79 1.79 1cm7A1 LYS 100 HG2 -0.02 -0.03 0.02 -0.04 1.46 1.38 1cm7A1 LYS 100 HG3 -0.03 -0.03 0.02 -0.04 1.46 1.38 1cm7A1 LYS 100 HD2 -0.01 -0.05 -0.02 -0.04 1.69 1.57 1cm7A1 LYS 100 HD3 -0.00 0.02 -0.04 -0.04 1.68 1.61 1cm7A1 LYS 100 HE2 -0.01 0.06 0.01 -0.04 2.99 3.02 1cm7A1 LYS 100 HE3 -0.01 -0.04 -0.01 -0.04 2.99 2.89 1cm7A1 HIS 101 H 0.04 0.54 -0.31 -0.55 8.41 8.13 1cm7A1 HIS 101 HA -0.23 -0.05 0.17 -0.75 4.63 3.77 1cm7A1 HIS 101 HB2 -0.25 0.07 0.12 -0.04 3.26 3.16 1cm7A1 HIS 101 HB3 -0.63 0.06 0.18 -0.04 3.20 2.77 1cm7A1 HIS 101 HD2 -0.26 -0.03 0.04 -0.04 6.97 6.68 1cm7A1 HIS 101 HE1 -0.31 0.02 -0.06 -0.04 7.75 7.35 1cm7A1 PHE 102 H -0.02 0.48 -0.25 -0.55 8.34 8.00 1cm7A1 PHE 102 HA -0.34 0.15 0.42 -0.75 4.62 4.09 1cm7A1 PHE 102 HB2 -0.02 0.02 -0.10 -0.04 3.15 3.02 1cm7A1 PHE 102 HB3 -0.27 -0.05 0.05 -0.04 3.06 2.75 1cm7A1 PHE 102 HD2 -0.30 0.09 -0.05 -0.04 7.28 6.98 1cm7A1 PHE 102 HE2 -0.07 -0.03 -0.09 -0.04 7.38 7.16 1cm7A1 PHE 102 HZ 0.11 -0.01 -0.14 -0.04 7.32 7.24 1cm7A1 LYS 103 H 0.00 0.38 -0.34 -0.55 8.42 7.92 1cm7A1 LYS 103 HA 0.07 0.02 0.24 -0.75 4.32 3.90 1cm7A1 LYS 103 HB2 0.10 0.17 -0.01 -0.04 1.87 2.08 1cm7A1 LYS 103 HB3 0.15 -0.14 0.19 -0.04 1.79 1.94 1cm7A1 LYS 103 HG2 -0.01 0.08 -0.04 -0.04 1.46 1.45 1cm7A1 LYS 103 HG3 -0.04 0.07 -0.27 -0.04 1.46 1.18 1cm7A1 LYS 103 HD2 0.02 -0.03 -0.01 -0.04 1.69 1.63 1cm7A1 LYS 103 HD3 0.03 -0.08 0.01 -0.04 1.68 1.60 1cm7A1 LYS 103 HE2 -0.03 -0.04 0.00 -0.04 2.99 2.87 1cm7A1 LYS 103 HE3 -0.06 0.11 -0.00 -0.04 2.99 3.00 1cm7A1 LEU 104 H 0.08 0.47 -0.12 -0.55 8.37 8.25 1cm7A1 LEU 104 HA -0.08 0.13 0.07 -0.75 4.35 3.72 1cm7A1 LEU 104 HB2 0.05 0.03 0.10 -0.04 1.64 1.79 1cm7A1 LEU 104 HB3 -0.05 -0.03 -0.04 -0.04 1.64 1.48 1cm7A1 LEU 104 HG -0.03 0.12 -0.36 -0.04 1.64 1.32 1cm7A1 LEU 104 HD13 0.21 -0.00 -0.42 -0.04 0.93 0.67 1cm7A1 LEU 104 HD23 0.17 -0.00 -0.19 -0.04 0.89 0.82 1cm7A1 PHE 105 H -0.42 0.32 0.41 -0.55 8.34 8.09 1cm7A1 PHE 105 HA 0.01 0.12 0.68 -0.75 4.62 4.67 1cm7A1 PHE 105 HB2 0.03 -0.24 0.17 -0.04 3.15 3.07 1cm7A1 PHE 105 HB3 0.03 0.07 0.03 -0.04 3.06 3.14 1cm7A1 PHE 105 HD2 0.03 0.07 -0.01 -0.04 7.28 7.33 1cm7A1 PHE 105 HE2 0.02 -0.10 -0.12 -0.04 7.38 7.14 1cm7A1 PHE 105 HZ 0.02 0.07 -0.13 -0.04 7.32 7.24 1cm7A1 SER 106 H -0.46 0.38 0.06 -0.55 8.46 7.89 1cm7A1 SER 106 HA -0.01 0.24 1.04 -0.75 4.49 5.00 1cm7A1 SER 106 HB2 -0.13 -0.01 -0.02 -0.04 3.95 3.75 1cm7A1 SER 106 HB3 -0.46 -0.05 -0.06 -0.04 3.93 3.33 1cm7A1 ASN 107 H -0.04 0.37 0.23 -0.55 8.53 8.54 1cm7A1 ASN 107 HA -0.12 0.36 1.05 -0.75 4.76 5.30 1cm7A1 ASN 107 HB2 -0.04 0.01 -0.14 -0.04 2.88 2.68 1cm7A1 ASN 107 HB3 -0.01 -0.08 0.08 -0.04 2.79 2.74 1cm7A1 ASN 107 HD21 -0.04 -0.04 -0.07 -0.04 7.03 6.84 1cm7A1 ASN 107 HD22 -0.08 0.12 0.05 -0.04 7.74 7.78 1cm7A1 LEU 108 H -0.13 0.54 0.31 -0.55 8.37 8.54 1cm7A1 LEU 108 HA -0.08 0.31 1.12 -0.75 4.35 4.94 1cm7A1 LEU 108 HB2 -0.12 -0.03 0.03 -0.04 1.64 1.47 1cm7A1 LEU 108 HB3 -0.15 0.02 0.00 -0.04 1.64 1.47 1cm7A1 LEU 108 HG -0.29 -0.01 -0.08 -0.04 1.64 1.22 1cm7A1 LEU 108 HD13 -0.63 0.02 -0.10 -0.04 0.93 0.17 1cm7A1 LEU 108 HD23 -0.19 -0.05 -0.29 -0.04 0.89 0.32 1cm7A1 ARG 109 H -0.02 0.54 0.19 -0.55 8.46 8.62 1cm7A1 ARG 109 HA 0.02 0.26 0.91 -0.75 4.34 4.77 1cm7A1 ARG 109 HB2 0.00 -0.10 0.16 -0.04 1.90 1.92 1cm7A1 ARG 109 HB3 0.02 0.08 0.08 -0.04 1.80 1.94 1cm7A1 ARG 109 HG2 -0.01 0.15 -0.10 -0.04 1.67 1.67 1cm7A1 ARG 109 HG3 -0.01 -0.07 -0.42 -0.04 1.67 1.12 1cm7A1 ARG 109 HD2 0.00 -0.03 -0.09 -0.04 3.22 3.06 1cm7A1 ARG 109 HD3 0.01 -0.07 -0.08 -0.04 3.22 3.04 1cm7A1 PRO 110 HA 0.05 0.23 0.84 -0.51 4.44 5.05 1cm7A1 PRO 110 HB2 0.06 -0.00 -0.05 -0.04 2.28 2.25 1cm7A1 PRO 110 HB3 0.07 0.02 0.04 -0.04 2.02 2.11 1cm7A1 PRO 110 HG2 0.09 0.02 0.00 -0.04 2.03 2.10 1cm7A1 PRO 110 HG3 0.11 0.01 -0.04 -0.04 2.03 2.07 1cm7A1 PRO 110 HD2 0.06 0.24 0.19 -0.04 3.68 4.13 1cm7A1 PRO 110 HD3 0.05 0.13 -0.01 -0.04 3.65 3.78 1cm7A1 ALA 111 H 0.08 0.63 0.21 -0.55 8.40 8.77 1cm7A1 ALA 111 HA 0.11 0.08 0.68 -0.75 4.34 4.46 1cm7A1 ALA 111 HB3 0.12 0.03 -0.09 -0.04 1.41 1.43 1cm7A1 LYS 112 H 0.00 0.21 0.06 -0.55 8.42 8.14 1cm7A1 LYS 112 HA -0.13 0.29 0.95 -0.75 4.32 4.68 1cm7A1 LYS 112 HB2 -0.14 -0.03 0.03 -0.04 1.87 1.68 1cm7A1 LYS 112 HB3 -0.24 -0.08 0.01 -0.04 1.79 1.44 1cm7A1 LYS 112 HG2 -1.11 -0.11 -0.36 -0.04 1.46 -0.16 1cm7A1 LYS 112 HG3 -0.47 0.25 -0.14 -0.04 1.46 1.06 1cm7A1 LYS 112 HD2 -0.18 -0.03 -0.04 -0.04 1.69 1.40 1cm7A1 LYS 112 HD3 -0.35 -0.07 -0.08 -0.04 1.68 1.15 1cm7A1 LYS 112 HE2 -0.12 -0.03 -0.05 -0.04 2.99 2.75 1cm7A1 LYS 112 HE3 -0.27 -0.04 -0.04 -0.04 2.99 2.59 1cm7A1 LEU 113 H -0.84 0.58 0.21 -0.55 8.37 7.78 1cm7A1 LEU 113 HA -0.36 0.09 0.77 -0.75 4.35 4.09 1cm7A1 LEU 113 HB2 -1.79 0.01 0.07 -0.04 1.64 -0.11 1cm7A1 LEU 113 HB3 -0.62 -0.11 0.22 -0.04 1.64 1.10 1cm7A1 LEU 113 HG -0.19 -0.02 -0.15 -0.04 1.64 1.24 1cm7A1 LEU 113 HD13 -0.04 0.00 0.10 -0.04 0.93 0.95 1cm7A1 LEU 113 HD23 -0.09 0.00 0.06 -0.04 0.89 0.83 1cm7A1 TYR 114 H -0.06 0.17 0.10 -0.55 8.29 7.95 1cm7A1 TYR 114 HA -0.08 0.11 0.79 -0.75 4.56 4.63 1cm7A1 TYR 114 HB2 -0.05 -0.06 0.10 -0.04 3.06 3.01 1cm7A1 TYR 114 HB3 -0.05 0.15 0.02 -0.04 2.98 3.06 1cm7A1 TYR 114 HD2 -0.02 -0.01 0.04 -0.04 7.15 7.11 1cm7A1 TYR 114 HE2 -0.00 0.00 -0.04 -0.04 6.85 6.77 1cm7A1 GLN 115 H 0.03 0.17 0.09 -0.55 8.47 8.21 1cm7A1 GLN 115 HA -0.03 0.02 0.58 -0.75 4.36 4.17 1cm7A1 GLN 115 HB2 -0.01 0.05 0.14 -0.04 2.15 2.29 1cm7A1 GLN 115 HB3 0.01 0.04 0.06 -0.04 2.02 2.08 1cm7A1 GLN 115 HG2 -0.02 0.04 0.06 -0.04 2.40 2.43 1cm7A1 GLN 115 HG3 -0.01 0.02 0.02 -0.04 2.39 2.38 1cm7A1 GLN 115 HE21 -0.02 0.04 0.04 -0.04 6.97 6.98 1cm7A1 GLN 115 HE22 -0.02 0.04 0.05 -0.04 7.69 7.72 1cm7A1 GLY 116 H -0.04 0.07 0.03 -0.55 8.43 7.95 1cm7A1 GLY 116 HA2 -0.07 0.08 0.38 -0.51 4.01 3.89 1cm7A1 GLY 116 HA3 -0.06 0.26 0.53 -0.51 4.01 4.23 1cm7A1 LEU 117 H -0.06 0.50 -0.29 -0.55 8.37 7.97 1cm7A1 LEU 117 HA -0.32 0.17 1.01 -0.75 4.35 4.45 1cm7A1 LEU 117 HB2 -0.07 -0.03 0.26 -0.04 1.64 1.76 1cm7A1 LEU 117 HB3 -0.56 0.07 0.06 -0.04 1.64 1.17 1cm7A1 LEU 117 HG 0.04 -0.04 0.01 -0.04 1.64 1.61 1cm7A1 LEU 117 HD13 -0.08 -0.02 -0.14 -0.04 0.93 0.65 1cm7A1 LEU 117 HD23 0.08 0.14 0.10 -0.04 0.89 1.17 1cm7A1 GLU 118 H -0.06 0.11 -0.13 -0.55 8.60 7.98 1cm7A1 GLU 118 HA 0.01 0.20 0.62 -0.75 4.29 4.36 1cm7A1 GLU 118 HB2 -0.02 -0.06 0.07 -0.04 2.09 2.05 1cm7A1 GLU 118 HB3 0.00 0.03 0.04 -0.04 1.99 2.02 1cm7A1 GLU 118 HG2 -0.04 0.16 -0.06 -0.04 2.34 2.36 1cm7A1 GLU 118 HG3 -0.05 -0.00 -0.10 -0.04 2.34 2.15 1cm7A1 ALA 119 H -0.01 -0.02 -0.39 -0.55 8.40 7.43 1cm7A1 ALA 119 HA 0.09 0.18 0.53 -0.75 4.34 4.38 1cm7A1 ALA 119 HB3 0.08 0.00 -0.01 -0.04 1.41 1.44 1cm7A1 PHE 120 H 0.22 -0.03 -0.16 -0.55 8.34 7.82 1cm7A1 PHE 120 HA 0.03 0.08 0.69 -0.75 4.62 4.67 1cm7A1 PHE 120 HB2 0.04 0.05 0.10 -0.04 3.15 3.30 1cm7A1 PHE 120 HB3 0.04 0.14 -0.03 -0.04 3.06 3.17 1cm7A1 PHE 120 HD2 0.03 -0.01 -0.17 -0.04 7.28 7.09 1cm7A1 PHE 120 HE2 0.02 -0.06 0.02 -0.04 7.38 7.31 1cm7A1 PHE 120 HZ 0.02 -0.01 -0.00 -0.04 7.32 7.28 1cm7A1 CYS 121 H 0.18 0.05 -0.18 -0.55 8.50 8.00 1cm7A1 CYS 121 HA 0.16 0.14 0.22 -0.75 4.58 4.34 1cm7A1 CYS 121 HB2 0.15 0.08 0.12 -0.04 2.97 3.28 1cm7A1 CYS 121 HB3 0.12 0.04 -0.01 -0.04 2.97 3.08 1cm7A1 PRO 122 HA 0.05 0.13 0.55 -0.51 4.44 4.66 1cm7A1 PRO 122 HB2 0.03 -0.06 -0.11 -0.04 2.28 2.11 1cm7A1 PRO 122 HB3 0.03 -0.04 0.07 -0.04 2.02 2.03 1cm7A1 PRO 122 HG2 0.04 -0.00 -0.14 -0.04 2.03 1.89 1cm7A1 PRO 122 HG3 0.05 0.07 0.05 -0.04 2.03 2.15 1cm7A1 PRO 122 HD2 0.10 0.09 0.20 -0.04 3.68 4.03 1cm7A1 PRO 122 HD3 0.12 0.12 0.07 -0.04 3.65 3.92 1cm7A1 LEU 123 H 0.08 0.12 -0.23 -0.55 8.37 7.79 1cm7A1 LEU 123 HA 0.03 0.09 0.65 -0.75 4.35 4.36 1cm7A1 LEU 123 HB2 0.09 -0.02 -0.06 -0.04 1.64 1.60 1cm7A1 LEU 123 HB3 0.04 0.01 0.09 -0.04 1.64 1.73 1cm7A1 LEU 123 HG 0.05 -0.01 0.03 -0.04 1.64 1.67 1cm7A1 LEU 123 HD13 -0.02 0.05 -0.04 -0.04 0.93 0.88 1cm7A1 LEU 123 HD23 -0.00 0.02 -0.05 -0.04 0.89 0.83 1cm7A1 ARG 124 H 0.03 0.14 0.15 -0.55 8.46 8.22 1cm7A1 ARG 124 HA 0.03 0.11 0.41 -0.75 4.34 4.13 1cm7A1 ARG 124 HB2 0.02 0.09 0.20 -0.04 1.90 2.17 1cm7A1 ARG 124 HB3 0.02 -0.14 0.09 -0.04 1.80 1.73 1cm7A1 ARG 124 HG2 0.02 -0.07 0.10 -0.04 1.67 1.67 1cm7A1 ARG 124 HG3 0.02 0.07 0.09 -0.04 1.67 1.80 1cm7A1 ARG 124 HD2 0.01 -0.05 0.01 -0.04 3.22 3.15 1cm7A1 ARG 124 HD3 0.01 0.02 0.03 -0.04 3.22 3.24 1cm7A1 ALA 125 H 0.03 0.18 0.21 -0.55 8.40 8.27 1cm7A1 ALA 125 HA 0.04 0.21 0.38 -0.75 4.34 4.21 1cm7A1 ALA 125 HB3 0.03 0.02 0.09 -0.04 1.41 1.50 1cm7A1 ASP 126 H 0.02 0.03 -0.35 -0.55 8.40 7.56 1cm7A1 ASP 126 HA 0.02 0.12 0.53 -0.75 4.63 4.55 1cm7A1 ASP 126 HB2 0.01 0.04 0.07 -0.04 2.71 2.79 1cm7A1 ASP 126 HB3 0.01 -0.03 0.05 -0.04 2.70 2.69 1cm7A1 ILE 127 H 0.03 0.41 -0.19 -0.55 8.25 7.95 1cm7A1 ILE 127 HA 0.03 0.13 0.78 -0.75 4.18 4.36 1cm7A1 ILE 127 HB 0.04 0.04 0.12 -0.04 1.89 2.05 1cm7A1 ILE 127 HG12 0.01 0.05 0.06 -0.04 1.49 1.58 1cm7A1 ILE 127 HG13 0.02 -0.18 0.01 -0.04 1.21 1.01 1cm7A1 ILE 127 HG23 0.05 0.04 -0.14 -0.04 0.93 0.84 1cm7A1 ILE 127 HD13 0.01 0.02 0.12 -0.04 0.88 0.99 1cm7A1 ALA 128 H 0.06 0.49 -0.12 -0.55 8.40 8.29 1cm7A1 ALA 128 HA 0.15 0.04 0.26 -0.75 4.34 4.03 1cm7A1 ALA 128 HB3 0.07 0.01 0.03 -0.04 1.41 1.48 1cm7A1 ALA 129 H 0.03 0.23 -0.64 -0.55 8.40 7.48 1cm7A1 ALA 129 HA 0.00 -0.01 0.27 -0.75 4.34 3.85 1cm7A1 ALA 129 HB3 0.01 0.02 0.05 -0.04 1.41 1.46 1cm7A1 ASN 130 H 0.03 0.29 -0.32 -0.55 8.53 7.98 1cm7A1 ASN 130 HA 0.01 0.01 0.68 -0.75 4.76 4.70 1cm7A1 ASN 130 HB2 0.04 0.15 0.13 -0.04 2.88 3.15 1cm7A1 ASN 130 HB3 0.03 0.02 -0.05 -0.04 2.79 2.75 1cm7A1 ASN 130 HD21 -0.00 -0.07 0.03 -0.04 7.03 6.94 1cm7A1 ASN 130 HD22 0.00 -0.02 0.02 -0.04 7.74 7.71 1cm7A1 GLY 131 H 0.04 0.28 -0.43 -0.55 8.43 7.77 1cm7A1 GLY 131 HA2 -0.11 0.05 0.29 -0.51 4.01 3.72 1cm7A1 GLY 131 HA3 -0.09 0.02 0.16 -0.51 4.01 3.59 1cm7A1 PHE 132 H -0.44 0.17 0.25 -0.55 8.34 7.78 1cm7A1 PHE 132 HA -0.01 0.15 0.19 -0.75 4.62 4.19 1cm7A1 PHE 132 HB2 0.02 0.05 -0.05 -0.04 3.15 3.13 1cm7A1 PHE 132 HB3 0.01 0.12 -0.09 -0.04 3.06 3.06 1cm7A1 PHE 132 HD2 0.00 0.15 -0.38 -0.04 7.28 7.02 1cm7A1 PHE 132 HE2 0.01 -0.01 -0.31 -0.04 7.38 7.02 1cm7A1 PHE 132 HZ 0.02 0.05 -0.62 -0.04 7.32 6.74 1cm7A1 ASP 133 H 0.20 0.39 -0.02 -0.55 8.40 8.42 1cm7A1 ASP 133 HA 0.04 0.02 0.72 -0.75 4.63 4.66 1cm7A1 ASP 133 HB2 -0.06 0.05 -0.21 -0.04 2.71 2.44 1cm7A1 ASP 133 HB3 0.02 0.04 0.06 -0.04 2.70 2.77 1cm7A1 ILE 134 H 0.13 0.37 0.17 -0.55 8.25 8.38 1cm7A1 ILE 134 HA 0.08 0.40 0.84 -0.75 4.18 4.74 1cm7A1 ILE 134 HB 0.08 -0.04 0.09 -0.04 1.89 1.98 1cm7A1 ILE 134 HG12 0.16 0.20 -0.12 -0.04 1.49 1.68 1cm7A1 ILE 134 HG13 0.21 -0.11 -0.25 -0.04 1.21 1.02 1cm7A1 ILE 134 HG23 -0.01 -0.03 -0.22 -0.04 0.93 0.64 1cm7A1 ILE 134 HD13 -0.01 0.00 -0.01 -0.04 0.88 0.82 1cm7A1 LEU 135 H 0.02 0.63 0.14 -0.55 8.37 8.61 1cm7A1 LEU 135 HA 0.02 0.14 0.76 -0.75 4.35 4.52 1cm7A1 LEU 135 HB2 0.05 0.04 -0.10 -0.04 1.64 1.59 1cm7A1 LEU 135 HB3 0.01 -0.04 0.01 -0.04 1.64 1.58 1cm7A1 LEU 135 HG -0.04 -0.01 -0.42 -0.04 1.64 1.13 1cm7A1 LEU 135 HD13 0.01 -0.01 -0.19 -0.04 0.93 0.70 1cm7A1 LEU 135 HD23 -0.01 0.00 -0.14 -0.04 0.89 0.71 1cm7A1 CYS 136 H -0.00 0.61 0.06 -0.55 8.50 8.62 1cm7A1 CYS 136 HA -0.05 0.09 1.03 -0.75 4.58 4.89 1cm7A1 CYS 136 HB2 -0.04 0.01 0.00 -0.04 2.97 2.90 1cm7A1 CYS 136 HB3 -0.02 0.11 0.21 -0.04 2.97 3.23 1cm7A1 VAL 137 H -0.03 0.84 0.37 -0.55 8.24 8.87 1cm7A1 VAL 137 HA -0.04 0.23 0.97 -0.75 4.13 4.54 1cm7A1 VAL 137 HB -0.01 -0.03 0.23 -0.04 2.12 2.27 1cm7A1 VAL 137 HG13 -0.01 -0.02 -0.15 -0.04 0.97 0.74 1cm7A1 VAL 137 HG23 -0.08 0.01 -0.14 -0.04 0.95 0.70 1cm7A1 ARG 138 H -0.01 0.62 0.26 -0.55 8.46 8.78 1cm7A1 ARG 138 HA 0.05 0.15 1.03 -0.75 4.34 4.82 1cm7A1 ARG 138 HB2 0.01 0.02 -0.16 -0.04 1.90 1.73 1cm7A1 ARG 138 HB3 0.02 0.02 0.04 -0.04 1.80 1.84 1cm7A1 ARG 138 HG2 0.03 0.06 0.00 -0.04 1.67 1.72 1cm7A1 ARG 138 HG3 0.02 -0.24 -0.20 -0.04 1.67 1.21 1cm7A1 ARG 138 HD2 0.06 -0.03 -0.38 -0.04 3.22 2.84 1cm7A1 ARG 138 HD3 0.05 0.01 0.03 -0.04 3.22 3.26 1cm7A1 GLU 139 H 0.15 0.42 0.16 -0.55 8.60 8.77 1cm7A1 GLU 139 HA 0.21 0.23 0.80 -0.75 4.29 4.78 1cm7A1 GLU 139 HB2 0.37 0.13 0.17 -0.04 2.09 2.71 1cm7A1 GLU 139 HB3 0.30 -0.27 0.10 -0.04 1.99 2.09 1cm7A1 GLU 139 HG2 0.26 0.17 0.13 -0.04 2.34 2.86 1cm7A1 GLU 139 HG3 0.32 -0.06 0.01 -0.04 2.34 2.57 1cm7A1 LEU 140 H 0.19 0.53 0.34 -0.55 8.37 8.88 1cm7A1 LEU 140 HA 0.14 0.14 0.49 -0.75 4.35 4.38 1cm7A1 LEU 140 HB2 0.07 0.10 -0.33 -0.04 1.64 1.44 1cm7A1 LEU 140 HB3 0.06 0.05 -0.12 -0.04 1.64 1.59 1cm7A1 LEU 140 HG 0.03 0.02 -0.38 -0.04 1.64 1.27 1cm7A1 LEU 140 HD13 -0.01 0.03 -0.19 -0.04 0.93 0.72 1cm7A1 LEU 140 HD23 0.09 -0.01 -0.10 -0.04 0.89 0.83 1cm7A1 THR 141 H 0.14 -0.07 0.11 -0.55 8.28 7.92 1cm7A1 THR 141 HA -0.30 0.31 0.72 -0.75 4.39 4.37 1cm7A1 THR 141 HB -0.11 0.05 0.06 -0.04 4.32 4.27 1cm7A1 THR 141 HG23 0.08 0.03 -0.11 -0.04 1.22 1.17 1cm7A1 GLY 142 H 0.14 -0.05 -0.04 -0.55 8.43 7.93 1cm7A1 GLY 142 HA2 -0.01 0.32 0.85 -0.51 4.01 4.66 1cm7A1 GLY 142 HA3 -0.15 -0.09 0.40 -0.51 4.01 3.67 1cm7A1 GLY 143 H -0.88 0.33 0.29 -0.55 8.43 7.63 1cm7A1 GLY 143 HA2 -0.61 0.07 0.42 -0.51 4.01 3.38 1cm7A1 GLY 143 HA3 -0.25 -0.09 0.54 -0.51 4.01 3.70 1cm7A1 ILE 144 H -0.24 0.03 0.24 -0.55 8.25 7.73 1cm7A1 ILE 144 HA -0.07 0.36 0.26 -0.75 4.18 3.98 1cm7A1 ILE 144 HB -0.13 -0.14 0.10 -0.04 1.89 1.68 1cm7A1 ILE 144 HG12 -0.00 0.10 -0.10 -0.04 1.49 1.45 1cm7A1 ILE 144 HG13 -0.03 0.01 -0.54 -0.04 1.21 0.62 1cm7A1 ILE 144 HG23 -0.12 0.00 -0.11 -0.04 0.93 0.66 1cm7A1 ILE 144 HD13 -0.02 0.00 -0.08 -0.04 0.88 0.74 1cm7A1 TYR 145 H -0.15 0.03 -0.23 -0.55 8.29 7.39 1cm7A1 TYR 145 HA -0.27 0.11 0.46 -0.75 4.56 4.11 1cm7A1 TYR 145 HB2 -0.48 0.06 0.02 -0.04 3.06 2.62 1cm7A1 TYR 145 HB3 -0.75 0.08 0.02 -0.04 2.98 2.28 1cm7A1 TYR 145 HD2 -0.11 0.07 -0.15 -0.04 7.15 6.92 1cm7A1 TYR 145 HE2 -0.06 0.04 -0.07 -0.04 6.85 6.72 1cm7A1 PHE 146 H 0.03 0.10 -0.32 -0.55 8.34 7.60 1cm7A1 PHE 146 HA 0.03 0.24 0.77 -0.75 4.62 4.90 1cm7A1 PHE 146 HB2 -0.01 -0.03 -0.13 -0.04 3.15 2.94 1cm7A1 PHE 146 HB3 0.02 -0.00 0.05 -0.04 3.06 3.09 1cm7A1 PHE 146 HD2 0.03 0.03 -0.19 -0.04 7.28 7.11 1cm7A1 PHE 146 HE2 0.07 0.03 -0.06 -0.04 7.38 7.39 1cm7A1 PHE 146 HZ 0.07 0.01 -0.03 -0.04 7.32 7.32 1cm7A1 GLY 147 H 0.02 0.07 -0.06 -0.55 8.43 7.91 1cm7A1 GLY 147 HA2 0.04 -0.07 0.42 -0.51 4.01 3.89 1cm7A1 GLY 147 HA3 0.00 0.21 0.31 -0.51 4.01 4.02 1cm7A1 GLN 148 H 0.05 0.22 0.18 -0.55 8.47 8.38 1cm7A1 GLN 148 HA 0.07 0.03 0.59 -0.75 4.36 4.30 1cm7A1 GLN 148 HB2 0.07 0.10 -0.12 -0.04 2.15 2.16 1cm7A1 GLN 148 HB3 0.06 -0.03 0.07 -0.04 2.02 2.08 1cm7A1 GLN 148 HG2 0.05 0.01 -0.00 -0.04 2.40 2.42 1cm7A1 GLN 148 HG3 0.06 -0.03 0.03 -0.04 2.39 2.41 1cm7A1 GLN 148 HE21 0.02 0.01 0.00 -0.04 6.97 6.96 1cm7A1 GLN 148 HE22 0.05 0.03 -0.05 -0.04 7.69 7.67 1cm7A1 PRO 149 HA 0.11 0.06 0.41 -0.51 4.44 4.51 1cm7A1 PRO 149 HB2 0.36 0.05 -0.34 -0.04 2.28 2.32 1cm7A1 PRO 149 HB3 0.15 0.04 -0.00 -0.04 2.02 2.17 1cm7A1 PRO 149 HG2 0.06 -0.01 -0.02 -0.04 2.03 2.03 1cm7A1 PRO 149 HG3 0.02 0.04 0.01 -0.04 2.03 2.06 1cm7A1 PRO 149 HD2 0.04 0.13 0.61 -0.04 3.68 4.42 1cm7A1 PRO 149 HD3 0.05 0.08 -0.08 -0.04 3.65 3.65 1cm7A1 LYS 150 H 0.11 0.35 0.20 -0.55 8.42 8.52 1cm7A1 LYS 150 HA -0.04 0.21 0.83 -0.75 4.32 4.57 1cm7A1 LYS 150 HB2 0.01 0.25 -0.17 -0.04 1.87 1.92 1cm7A1 LYS 150 HB3 -0.02 -0.06 0.06 -0.04 1.79 1.73 1cm7A1 LYS 150 HG2 -0.10 -0.06 -0.03 -0.04 1.46 1.23 1cm7A1 LYS 150 HG3 -0.08 -0.03 0.16 -0.04 1.46 1.48 1cm7A1 LYS 150 HD2 -0.02 0.23 -0.06 -0.04 1.69 1.80 1cm7A1 LYS 150 HD3 -0.03 -0.06 -0.03 -0.04 1.68 1.52 1cm7A1 LYS 150 HE2 -0.10 0.06 0.04 -0.04 2.99 2.96 1cm7A1 LYS 150 HE3 -0.08 -0.10 0.01 -0.04 2.99 2.78 1cm7A1 GLY 151 H -0.58 0.59 0.40 -0.55 8.43 8.30 1cm7A1 GLY 151 HA2 -0.28 0.03 0.42 -0.51 4.01 3.67 1cm7A1 GLY 151 HA3 -0.34 0.16 0.83 -0.51 4.01 4.14 1cm7A1 ARG 152 H -0.19 0.29 0.22 -0.55 8.46 8.23 1cm7A1 ARG 152 HA -0.16 0.24 0.74 -0.75 4.34 4.41 1cm7A1 ARG 152 HB2 -0.14 -0.07 -0.14 -0.04 1.90 1.51 1cm7A1 ARG 152 HB3 -0.08 -0.01 0.08 -0.04 1.80 1.75 1cm7A1 ARG 152 HG2 -0.02 -0.00 -0.21 -0.04 1.67 1.40 1cm7A1 ARG 152 HG3 -0.03 0.21 0.02 -0.04 1.67 1.83 1cm7A1 ARG 152 HD2 -0.05 -0.02 -0.07 -0.04 3.22 3.03 1cm7A1 ARG 152 HD3 -0.05 -0.03 -0.05 -0.04 3.22 3.04 1cm7A1 GLU 153 H 0.09 0.81 0.31 -0.55 8.60 9.26 1cm7A1 GLU 153 HA 0.09 0.09 0.86 -0.75 4.29 4.58 1cm7A1 GLU 153 HB2 0.31 0.01 -0.25 -0.04 2.09 2.12 1cm7A1 GLU 153 HB3 0.31 0.01 0.09 -0.04 1.99 2.35 1cm7A1 GLU 153 HG2 0.09 0.00 -0.09 -0.04 2.34 2.30 1cm7A1 GLU 153 HG3 0.09 -0.00 -0.03 -0.04 2.34 2.35 1cm7A1 GLY 154 H 0.05 0.16 0.21 -0.55 8.43 8.30 1cm7A1 GLY 154 HA2 0.05 0.00 0.26 -0.51 4.01 3.81 1cm7A1 GLY 154 HA3 0.07 0.21 0.40 -0.51 4.01 4.18 1cm7A1 SER 155 H 0.05 0.20 0.15 -0.55 8.46 8.32 1cm7A1 SER 155 HA 0.03 0.17 0.04 -0.75 4.49 3.98 1cm7A1 SER 155 HB2 0.02 0.13 0.06 -0.04 3.95 4.12 1cm7A1 SER 155 HB3 0.02 -0.03 0.06 -0.04 3.93 3.94 1cm7A1 GLY 156 H 0.02 0.17 0.14 -0.55 8.43 8.21 1cm7A1 GLY 156 HA2 0.02 0.08 0.35 -0.51 4.01 3.95 1cm7A1 GLY 156 HA3 0.04 0.06 0.49 -0.51 4.01 4.08 1cm7A1 GLN 157 H 0.04 0.14 0.21 -0.55 8.47 8.31 1cm7A1 GLN 157 HA -0.07 0.14 0.26 -0.75 4.36 3.93 1cm7A1 GLN 157 HB2 -0.01 -0.02 0.17 -0.04 2.15 2.25 1cm7A1 GLN 157 HB3 -0.19 0.05 0.10 -0.04 2.02 1.95 1cm7A1 GLN 157 HG2 -0.01 -0.09 0.06 -0.04 2.40 2.32 1cm7A1 GLN 157 HG3 -0.02 0.02 0.06 -0.04 2.39 2.41 1cm7A1 GLN 157 HE21 -0.03 0.03 -0.02 -0.04 6.97 6.91 1cm7A1 GLN 157 HE22 -0.02 -0.04 -0.03 -0.04 7.69 7.57 1cm7A1 TYR 158 H 0.13 0.07 -0.20 -0.55 8.29 7.74 1cm7A1 TYR 158 HA 0.01 0.23 0.64 -0.75 4.56 4.68 1cm7A1 TYR 158 HB2 0.01 -0.03 0.05 -0.04 3.06 3.05 1cm7A1 TYR 158 HB3 0.01 0.01 0.11 -0.04 2.98 3.07 1cm7A1 TYR 158 HD2 0.00 -0.02 0.00 -0.04 7.15 7.09 1cm7A1 TYR 158 HE2 0.00 -0.01 -0.02 -0.04 6.85 6.78 1cm7A1 GLU 159 H 0.04 0.22 -0.66 -0.55 8.60 7.65 1cm7A1 GLU 159 HA 0.07 0.07 0.56 -0.75 4.29 4.24 1cm7A1 GLU 159 HB2 0.03 -0.26 -0.36 -0.04 2.09 1.46 1cm7A1 GLU 159 HB3 0.01 0.09 -0.11 -0.04 1.99 1.93 1cm7A1 GLU 159 HG2 0.02 0.03 -0.58 -0.04 2.34 1.77 1cm7A1 GLU 159 HG3 0.03 0.07 -0.35 -0.04 2.34 2.05 1cm7A1 LYS 160 H 0.09 0.68 0.39 -0.55 8.42 9.03 1cm7A1 LYS 160 HA 0.06 0.16 0.88 -0.75 4.32 4.67 1cm7A1 LYS 160 HB2 0.17 0.01 0.07 -0.04 1.87 2.08 1cm7A1 LYS 160 HB3 0.10 0.06 -0.09 -0.04 1.79 1.82 1cm7A1 LYS 160 HG2 0.12 0.16 0.18 -0.04 1.46 1.88 1cm7A1 LYS 160 HG3 0.25 -0.12 0.10 -0.04 1.46 1.65 1cm7A1 LYS 160 HD2 0.09 -0.01 -0.04 -0.04 1.69 1.69 1cm7A1 LYS 160 HD3 0.08 0.02 -0.00 -0.04 1.68 1.73 1cm7A1 LYS 160 HE2 0.04 -0.02 -0.03 -0.04 2.99 2.94 1cm7A1 LYS 160 HE3 0.00 -0.03 -0.07 -0.04 2.99 2.85 1cm7A1 ALA 161 H 0.05 0.21 0.20 -0.55 8.40 8.32 1cm7A1 ALA 161 HA -0.13 0.21 0.34 -0.75 4.34 4.00 1cm7A1 ALA 161 HB3 -0.08 -0.00 0.07 -0.04 1.41 1.35 1cm7A1 PHE 162 H -0.63 0.72 0.33 -0.55 8.34 8.21 1cm7A1 PHE 162 HA -0.00 0.09 0.82 -0.75 4.62 4.77 1cm7A1 PHE 162 HB2 -0.00 0.02 -0.02 -0.04 3.15 3.11 1cm7A1 PHE 162 HB3 0.00 0.04 -0.16 -0.04 3.06 2.91 1cm7A1 PHE 162 HD2 0.00 0.01 -0.38 -0.04 7.28 6.87 1cm7A1 PHE 162 HE2 0.01 -0.06 -0.33 -0.04 7.38 6.95 1cm7A1 PHE 162 HZ 0.01 -0.01 -0.31 -0.04 7.32 6.97 1cm7A1 ASP 163 H 0.10 0.20 0.21 -0.55 8.40 8.37 1cm7A1 ASP 163 HA 0.04 0.22 0.70 -0.75 4.63 4.84 1cm7A1 ASP 163 HB2 0.01 -0.12 -0.07 -0.04 2.71 2.50 1cm7A1 ASP 163 HB3 -0.00 0.18 0.02 -0.04 2.70 2.86 1cm7A1 THR 164 H 0.05 0.36 -0.07 -0.55 8.28 8.06 1cm7A1 THR 164 HA 0.04 0.11 0.84 -0.75 4.39 4.62 1cm7A1 THR 164 HB 0.04 -0.04 -0.32 -0.04 4.32 3.97 1cm7A1 THR 164 HG23 0.01 -0.02 -0.24 -0.04 1.22 0.92 1cm7A1 GLU 165 H -0.01 0.21 0.10 -0.55 8.60 8.36 1cm7A1 GLU 165 HA -0.08 0.04 0.66 -0.75 4.29 4.15 1cm7A1 GLU 165 HB2 -0.06 0.04 0.12 -0.04 2.09 2.16 1cm7A1 GLU 165 HB3 -0.02 0.03 0.23 -0.04 1.99 2.19 1cm7A1 GLU 165 HG2 -0.00 -0.09 0.01 -0.04 2.34 2.21 1cm7A1 GLU 165 HG3 -0.01 0.04 -0.25 -0.04 2.34 2.08 1cm7A1 VAL 166 H -0.13 0.33 -0.07 -0.55 8.24 7.82 1cm7A1 VAL 166 HA -0.07 0.22 0.97 -0.75 4.13 4.50 1cm7A1 VAL 166 HB -0.10 -0.05 -0.23 -0.04 2.12 1.69 1cm7A1 VAL 166 HG13 -0.14 0.03 -0.02 -0.04 0.97 0.81 1cm7A1 VAL 166 HG23 -0.02 0.05 -0.06 -0.04 0.95 0.87 1cm7A1 TYR 167 H -0.01 0.32 0.19 -0.55 8.29 8.24 1cm7A1 TYR 167 HA -0.01 0.10 0.72 -0.75 4.56 4.61 1cm7A1 TYR 167 HB2 0.07 -0.02 0.04 -0.04 3.06 3.11 1cm7A1 TYR 167 HB3 0.04 0.08 0.01 -0.04 2.98 3.07 1cm7A1 TYR 167 HD2 0.03 -0.02 -0.03 -0.04 7.15 7.09 1cm7A1 TYR 167 HE2 0.00 -0.04 0.03 -0.04 6.85 6.80 1cm7A1 HIS 168 H 0.11 0.14 0.18 -0.55 8.41 8.29 1cm7A1 HIS 168 HA 0.03 0.26 0.85 -0.75 4.63 5.01 1cm7A1 HIS 168 HB2 -0.53 -0.04 0.09 -0.04 3.26 2.74 1cm7A1 HIS 168 HB3 0.09 -0.03 0.10 -0.04 3.20 3.32 1cm7A1 HIS 168 HD2 0.12 0.02 0.04 -0.04 6.97 7.11 1cm7A1 HIS 168 HE1 0.02 0.07 -0.07 -0.04 7.75 7.73 1cm7A1 ARG 169 H 0.13 0.26 0.16 -0.55 8.46 8.46 1cm7A1 ARG 169 HA -0.03 0.08 0.23 -0.75 4.34 3.87 1cm7A1 ARG 169 HB2 0.03 0.06 0.12 -0.04 1.90 2.07 1cm7A1 ARG 169 HB3 0.09 0.01 0.18 -0.04 1.80 2.04 1cm7A1 ARG 169 HG2 0.04 0.02 -0.26 -0.04 1.67 1.44 1cm7A1 ARG 169 HG3 -0.02 -0.02 0.02 -0.04 1.67 1.62 1cm7A1 ARG 169 HD2 0.03 0.02 0.00 -0.04 3.22 3.23 1cm7A1 ARG 169 HD3 0.01 0.07 -0.02 -0.04 3.22 3.23 1cm7A1 PHE 170 H 0.27 0.09 -0.12 -0.55 8.34 8.03 1cm7A1 PHE 170 HA -0.05 0.12 0.18 -0.75 4.62 4.11 1cm7A1 PHE 170 HB2 -0.06 0.11 0.09 -0.04 3.15 3.24 1cm7A1 PHE 170 HB3 -0.03 0.01 0.10 -0.04 3.06 3.11 1cm7A1 PHE 170 HD2 -0.06 -0.02 -0.09 -0.04 7.28 7.08 1cm7A1 PHE 170 HE2 -0.25 0.05 -0.03 -0.04 7.38 7.11 1cm7A1 PHE 170 HZ -0.16 0.07 -0.02 -0.04 7.32 7.17 1cm7A1 GLU 171 H -0.57 0.08 -0.50 -0.55 8.60 7.06 1cm7A1 GLU 171 HA -0.37 0.15 0.39 -0.75 4.29 3.71 1cm7A1 GLU 171 HB2 -0.15 0.01 0.20 -0.04 2.09 2.11 1cm7A1 GLU 171 HB3 0.03 -0.03 0.02 -0.04 1.99 1.97 1cm7A1 GLU 171 HG2 -0.34 0.09 0.00 -0.04 2.34 2.05 1cm7A1 GLU 171 HG3 -1.68 -0.02 -0.01 -0.04 2.34 0.59 1cm7A1 ILE 172 H -0.18 0.38 0.02 -0.55 8.25 7.92 1cm7A1 ILE 172 HA -0.57 0.00 0.46 -0.75 4.18 3.32 1cm7A1 ILE 172 HB -0.29 0.09 0.03 -0.04 1.89 1.69 1cm7A1 ILE 172 HG12 -0.45 -0.08 0.01 -0.04 1.49 0.93 1cm7A1 ILE 172 HG13 -0.13 0.15 0.04 -0.04 1.21 1.23 1cm7A1 ILE 172 HG23 -1.05 0.00 -0.01 -0.04 0.93 -0.17 1cm7A1 ILE 172 HD13 -0.05 -0.02 -0.18 -0.04 0.88 0.59 1cm7A1 GLU 173 H -0.15 0.61 -0.13 -0.55 8.60 8.39 1cm7A1 GLU 173 HA -0.13 0.06 0.45 -0.75 4.29 3.92 1cm7A1 GLU 173 HB2 -0.04 0.05 0.07 -0.04 2.09 2.13 1cm7A1 GLU 173 HB3 -0.04 0.04 -0.02 -0.04 1.99 1.93 1cm7A1 GLU 173 HG2 -0.06 0.02 0.01 -0.04 2.34 2.27 1cm7A1 GLU 173 HG3 -0.07 -0.01 0.00 -0.04 2.34 2.22 1cm7A1 ARG 174 H -0.16 0.36 -0.15 -0.55 8.46 7.96 1cm7A1 ARG 174 HA -0.04 0.12 0.46 -0.75 4.34 4.13 1cm7A1 ARG 174 HB2 -0.59 -0.01 0.00 -0.04 1.90 1.26 1cm7A1 ARG 174 HB3 -0.24 0.01 0.11 -0.04 1.80 1.64 1cm7A1 ARG 174 HG2 -0.31 0.23 0.30 -0.04 1.67 1.85 1cm7A1 ARG 174 HG3 -0.73 -0.03 0.05 -0.04 1.67 0.92 1cm7A1 ARG 174 HD2 -1.18 -0.00 0.03 -0.04 3.22 2.03 1cm7A1 ARG 174 HD3 -0.24 0.01 0.02 -0.04 3.22 2.97 1cm7A1 ILE 175 H -0.12 0.33 -0.09 -0.55 8.25 7.82 1cm7A1 ILE 175 HA 0.31 0.12 0.63 -0.75 4.18 4.49 1cm7A1 ILE 175 HB 0.15 0.02 0.12 -0.04 1.89 2.14 1cm7A1 ILE 175 HG12 0.22 -0.06 -0.08 -0.04 1.49 1.54 1cm7A1 ILE 175 HG13 0.13 -0.01 -0.15 -0.04 1.21 1.14 1cm7A1 ILE 175 HG23 -0.14 0.01 -0.01 -0.04 0.93 0.74 1cm7A1 ILE 175 HD13 0.20 0.03 -0.05 -0.04 0.88 1.01 1cm7A1 ALA 176 H -0.15 0.43 -0.15 -0.55 8.40 7.98 1cm7A1 ALA 176 HA -0.02 -0.02 0.37 -0.75 4.34 3.91 1cm7A1 ALA 176 HB3 -0.05 0.04 0.07 -0.04 1.41 1.43 1cm7A1 ARG 177 H 0.04 0.38 -0.26 -0.55 8.46 8.08 1cm7A1 ARG 177 HA 0.08 0.03 0.44 -0.75 4.34 4.14 1cm7A1 ARG 177 HB2 0.08 0.11 0.16 -0.04 1.90 2.20 1cm7A1 ARG 177 HB3 0.12 0.05 -0.13 -0.04 1.80 1.80 1cm7A1 ARG 177 HG2 0.20 0.02 0.00 -0.04 1.67 1.85 1cm7A1 ARG 177 HG3 0.15 -0.04 0.04 -0.04 1.67 1.78 1cm7A1 ARG 177 HD2 0.05 0.03 -0.04 -0.04 3.22 3.22 1cm7A1 ARG 177 HD3 0.08 0.01 -0.01 -0.04 3.22 3.26 1cm7A1 ILE 178 H 0.11 0.36 -0.19 -0.55 8.25 7.97 1cm7A1 ILE 178 HA 0.04 0.10 0.55 -0.75 4.18 4.11 1cm7A1 ILE 178 HB 0.06 0.06 0.09 -0.04 1.89 2.06 1cm7A1 ILE 178 HG12 0.20 0.08 0.05 -0.04 1.49 1.77 1cm7A1 ILE 178 HG13 0.04 -0.07 -0.07 -0.04 1.21 1.07 1cm7A1 ILE 178 HG23 -0.11 -0.01 -0.21 -0.04 0.93 0.56 1cm7A1 ILE 178 HD13 0.01 0.02 -0.07 -0.04 0.88 0.80 1cm7A1 ALA 179 H -0.02 0.43 -0.27 -0.55 8.40 8.00 1cm7A1 ALA 179 HA -0.11 0.03 0.42 -0.75 4.34 3.92 1cm7A1 ALA 179 HB3 -0.17 0.03 0.03 -0.04 1.41 1.26 1cm7A1 PHE 180 H -0.10 0.53 -0.04 -0.55 8.34 8.18 1cm7A1 PHE 180 HA -0.25 0.00 0.45 -0.75 4.62 4.06 1cm7A1 PHE 180 HB2 -0.83 0.06 0.10 -0.04 3.15 2.44 1cm7A1 PHE 180 HB3 -1.50 0.03 -0.11 -0.04 3.06 1.44 1cm7A1 PHE 180 HD2 -0.25 0.13 -0.10 -0.04 7.28 7.02 1cm7A1 PHE 180 HE2 -0.06 0.03 -0.10 -0.04 7.38 7.21 1cm7A1 PHE 180 HZ -0.05 -0.03 -0.07 -0.04 7.32 7.14 1cm7A1 GLU 181 H -0.04 0.60 -0.12 -0.55 8.60 8.49 1cm7A1 GLU 181 HA 0.10 0.04 0.48 -0.75 4.29 4.16 1cm7A1 GLU 181 HB2 0.06 0.06 0.12 -0.04 2.09 2.29 1cm7A1 GLU 181 HB3 0.10 0.01 -0.04 -0.04 1.99 2.02 1cm7A1 GLU 181 HG2 0.14 0.16 0.07 -0.04 2.34 2.67 1cm7A1 GLU 181 HG3 0.13 -0.00 -0.00 -0.04 2.34 2.42 1cm7A1 SER 182 H -0.02 0.43 -0.33 -0.55 8.46 8.00 1cm7A1 SER 182 HA 0.19 0.07 0.43 -0.75 4.49 4.42 1cm7A1 SER 182 HB2 -0.06 0.09 0.14 -0.04 3.95 4.09 1cm7A1 SER 182 HB3 0.05 -0.08 -0.03 -0.04 3.93 3.82 1cm7A1 ALA 183 H -0.10 0.54 -0.13 -0.55 8.40 8.16 1cm7A1 ALA 183 HA -0.06 -0.07 0.44 -0.75 4.34 3.89 1cm7A1 ALA 183 HB3 -0.15 -0.01 0.02 -0.04 1.41 1.23 1cm7A1 ARG 184 H -0.10 0.41 -0.43 -0.55 8.46 7.79 1cm7A1 ARG 184 HA -0.72 0.04 0.50 -0.75 4.34 3.41 1cm7A1 ARG 184 HB2 0.01 0.24 0.20 -0.04 1.90 2.30 1cm7A1 ARG 184 HB3 0.00 -0.03 0.01 -0.04 1.80 1.75 1cm7A1 ARG 184 HG2 -0.08 -0.04 -0.04 -0.04 1.67 1.46 1cm7A1 ARG 184 HG3 0.05 0.14 -0.00 -0.04 1.67 1.81 1cm7A1 ARG 184 HD2 0.21 -0.01 -0.01 -0.04 3.22 3.37 1cm7A1 ARG 184 HD3 0.12 -0.00 -0.01 -0.04 3.22 3.28 1cm7A1 LYS 185 H -0.00 0.38 -0.18 -0.55 8.42 8.06 1cm7A1 LYS 185 HA 0.00 -0.00 0.36 -0.75 4.32 3.93 1cm7A1 LYS 185 HB2 0.08 0.09 0.18 -0.04 1.87 2.18 1cm7A1 LYS 185 HB3 -0.01 -0.08 -0.04 -0.04 1.79 1.61 1cm7A1 LYS 185 HG2 -0.17 -0.04 -0.02 -0.04 1.46 1.18 1cm7A1 LYS 185 HG3 -0.07 -0.06 0.06 -0.04 1.46 1.36 1cm7A1 LYS 185 HD2 0.03 -0.02 -0.00 -0.04 1.69 1.66 1cm7A1 LYS 185 HD3 0.10 -0.01 -0.05 -0.04 1.68 1.69 1cm7A1 LYS 185 HE2 -0.02 -0.06 0.00 -0.04 2.99 2.88 1cm7A1 LYS 185 HE3 0.04 -0.03 -0.01 -0.04 2.99 2.95 1cm7A1 ARG 186 H -0.04 0.19 -1.07 -0.55 8.46 6.99 1cm7A1 ARG 186 HA 0.03 0.17 0.77 -0.75 4.34 4.55 1cm7A1 ARG 186 HB2 0.01 -0.08 0.12 -0.04 1.90 1.91 1cm7A1 ARG 186 HB3 0.03 -0.06 0.06 -0.04 1.80 1.78 1cm7A1 ARG 186 HG2 0.04 0.00 -0.17 -0.04 1.67 1.50 1cm7A1 ARG 186 HG3 0.05 0.07 -0.39 -0.04 1.67 1.36 1cm7A1 ARG 186 HD2 0.11 -0.04 -0.19 -0.04 3.22 3.06 1cm7A1 ARG 186 HD3 0.04 -0.03 -0.30 -0.04 3.22 2.89 1cm7A1 ARG 187 H 0.04 -0.03 0.15 -0.55 8.46 8.07 1cm7A1 ARG 187 HA 0.17 0.30 0.98 -0.75 4.34 5.03 1cm7A1 ARG 187 HB2 0.06 -0.06 0.04 -0.04 1.90 1.90 1cm7A1 ARG 187 HB3 0.06 0.02 0.17 -0.04 1.80 2.01 1cm7A1 ARG 187 HG2 0.05 0.15 -0.23 -0.04 1.67 1.60 1cm7A1 ARG 187 HG3 0.04 -0.10 -0.23 -0.04 1.67 1.35 1cm7A1 ARG 187 HD2 0.03 -0.01 -0.02 -0.04 3.22 3.18 1cm7A1 ARG 187 HD3 0.02 -0.01 -0.06 -0.04 3.22 3.14 1cm7A1 HIS 188 H 0.00 0.28 0.19 -0.55 8.41 8.34 1cm7A1 HIS 188 HA 0.03 -0.01 0.13 -0.75 4.63 4.03 1cm7A1 HIS 188 HB2 0.03 0.12 -0.54 -0.04 3.26 2.83 1cm7A1 HIS 188 HB3 0.04 0.02 0.27 -0.04 3.20 3.49 1cm7A1 HIS 188 HD2 0.03 -0.02 -0.24 -0.04 6.97 6.70 1cm7A1 HIS 188 HE1 0.06 -0.08 -0.04 -0.04 7.75 7.65 1cm7A1 LYS 189 H 0.00 0.04 0.02 -0.55 8.42 7.93 1cm7A1 LYS 189 HA 0.02 0.32 0.95 -0.75 4.32 4.86 1cm7A1 LYS 189 HB2 0.05 0.17 -0.22 -0.04 1.87 1.82 1cm7A1 LYS 189 HB3 0.03 -0.12 0.04 -0.04 1.79 1.70 1cm7A1 LYS 189 HG2 0.03 -0.10 -0.22 -0.04 1.46 1.13 1cm7A1 LYS 189 HG3 0.02 0.01 -0.05 -0.04 1.46 1.40 1cm7A1 LYS 189 HD2 0.01 0.01 -0.05 -0.04 1.69 1.62 1cm7A1 LYS 189 HD3 0.03 0.02 -0.09 -0.04 1.68 1.60 1cm7A1 LYS 189 HE2 0.05 -0.02 0.01 -0.04 2.99 2.99 1cm7A1 LYS 189 HE3 0.02 -0.11 -0.09 -0.04 2.99 2.77 1cm7A1 VAL 190 H -0.07 0.83 0.33 -0.55 8.24 8.78 1cm7A1 VAL 190 HA -0.15 0.19 1.03 -0.75 4.13 4.45 1cm7A1 VAL 190 HB -0.41 0.07 0.15 -0.04 2.12 1.90 1cm7A1 VAL 190 HG13 -0.38 -0.04 -0.22 -0.04 0.97 0.29 1cm7A1 VAL 190 HG23 -0.67 -0.01 -0.22 -0.04 0.95 0.01 1cm7A1 THR 191 H -0.06 0.78 0.26 -0.55 8.28 8.70 1cm7A1 THR 191 HA -0.05 0.26 0.98 -0.75 4.39 4.82 1cm7A1 THR 191 HB -0.07 0.00 0.18 -0.04 4.32 4.39 1cm7A1 THR 191 HG23 0.03 -0.03 -0.25 -0.04 1.22 0.93 1cm7A1 SER 192 H -0.07 0.67 0.23 -0.55 8.46 8.75 1cm7A1 SER 192 HA 0.12 0.16 0.94 -0.75 4.49 4.95 1cm7A1 SER 192 HB2 0.15 0.04 0.08 -0.04 3.95 4.18 1cm7A1 SER 192 HB3 0.22 -0.00 0.20 -0.04 3.93 4.30 1cm7A1 ILE 193 H 0.01 0.76 0.37 -0.55 8.25 8.84 1cm7A1 ILE 193 HA -0.06 0.37 0.99 -0.75 4.18 4.73 1cm7A1 ILE 193 HB -0.11 -0.02 0.09 -0.04 1.89 1.80 1cm7A1 ILE 193 HG12 -0.16 0.05 -0.14 -0.04 1.49 1.20 1cm7A1 ILE 193 HG13 -0.19 -0.05 -0.17 -0.04 1.21 0.76 1cm7A1 ILE 193 HG23 -0.25 -0.05 -0.28 -0.04 0.93 0.31 1cm7A1 ILE 193 HD13 -0.14 -0.01 -0.47 -0.04 0.88 0.22 1cm7A1 ASP 194 H -0.04 0.60 0.47 -0.55 8.40 8.88 1cm7A1 ASP 194 HA -0.04 0.09 0.71 -0.75 4.63 4.64 1cm7A1 ASP 194 HB2 0.00 -0.20 0.21 -0.04 2.71 2.69 1cm7A1 ASP 194 HB3 -0.16 0.17 -0.22 -0.04 2.70 2.45 1cm7A1 LYS 195 H 0.10 0.17 0.12 -0.55 8.42 8.26 1cm7A1 LYS 195 HA -0.07 0.15 0.84 -0.75 4.32 4.49 1cm7A1 LYS 195 HB2 0.07 0.01 0.01 -0.04 1.87 1.93 1cm7A1 LYS 195 HB3 0.07 -0.03 0.26 -0.04 1.79 2.05 1cm7A1 LYS 195 HG2 -0.02 0.09 0.09 -0.04 1.46 1.58 1cm7A1 LYS 195 HG3 -0.13 -0.06 0.17 -0.04 1.46 1.40 1cm7A1 LYS 195 HD2 -0.20 0.04 0.32 -0.04 1.69 1.81 1cm7A1 LYS 195 HD3 -0.22 0.01 0.10 -0.04 1.68 1.53 1cm7A1 LYS 195 HE2 -0.36 -0.05 0.06 -0.04 2.99 2.60 1cm7A1 LYS 195 HE3 -0.34 -0.02 0.07 -0.04 2.99 2.66 1cm7A1 ALA 196 H 0.33 0.22 -0.15 -0.55 8.40 8.25 1cm7A1 ALA 196 HA 0.07 0.05 -0.32 -0.75 4.34 3.38 1cm7A1 ALA 196 HB3 0.15 0.05 -0.04 -0.04 1.41 1.53 1cm7A1 ASN 197 H -0.26 -0.06 -0.32 -0.55 8.53 7.35 1cm7A1 ASN 197 HA -0.02 0.19 0.77 -0.75 4.76 4.95 1cm7A1 ASN 197 HB2 -0.12 0.07 0.11 -0.04 2.88 2.90 1cm7A1 ASN 197 HB3 -0.13 0.06 0.11 -0.04 2.79 2.80 1cm7A1 ASN 197 HD21 -0.56 -0.04 0.03 -0.04 7.03 6.41 1cm7A1 ASN 197 HD22 -0.30 0.10 0.03 -0.04 7.74 7.53 1cm7A1 VAL 198 H -0.12 0.08 0.11 -0.55 8.24 7.76 1cm7A1 VAL 198 HA -0.03 0.14 -0.17 -0.75 4.13 3.31 1cm7A1 VAL 198 HB -0.02 -0.00 -0.01 -0.04 2.12 2.04 1cm7A1 VAL 198 HG13 -0.04 0.01 0.02 -0.04 0.97 0.93 1cm7A1 VAL 198 HG23 -0.09 -0.01 0.14 -0.04 0.95 0.95 1cm7A1 LEU 199 H -0.01 0.38 0.02 -0.55 8.37 8.22 1cm7A1 LEU 199 HA 0.02 0.15 0.51 -0.75 4.35 4.28 1cm7A1 LEU 199 HB2 0.05 -0.05 0.09 -0.04 1.64 1.69 1cm7A1 LEU 199 HB3 0.04 -0.16 0.01 -0.04 1.64 1.50 1cm7A1 LEU 199 HG 0.04 0.06 0.11 -0.04 1.64 1.81 1cm7A1 LEU 199 HD13 0.11 -0.02 0.03 -0.04 0.93 1.02 1cm7A1 LEU 199 HD23 0.02 0.04 -0.05 -0.04 0.89 0.86 1cm7A1 GLN 200 H 0.02 0.27 0.27 -0.55 8.47 8.49 1cm7A1 GLN 200 HA 0.03 0.18 0.50 -0.75 4.36 4.32 1cm7A1 GLN 200 HB2 0.02 -0.03 0.20 -0.04 2.15 2.30 1cm7A1 GLN 200 HB3 0.02 0.03 0.04 -0.04 2.02 2.08 1cm7A1 GLN 200 HG2 0.01 0.06 0.15 -0.04 2.40 2.58 1cm7A1 GLN 200 HG3 0.01 0.05 0.09 -0.04 2.39 2.50 1cm7A1 GLN 200 HE21 0.01 0.04 0.03 -0.04 6.97 7.02 1cm7A1 GLN 200 HE22 0.01 -0.02 0.04 -0.04 7.69 7.68 1cm7A1 SER 201 H 0.05 0.16 -0.02 -0.55 8.46 8.10 1cm7A1 SER 201 HA 0.10 0.14 0.54 -0.75 4.49 4.51 1cm7A1 SER 201 HB2 0.21 -0.04 -0.03 -0.04 3.95 4.05 1cm7A1 SER 201 HB3 0.08 0.18 0.09 -0.04 3.93 4.24 1cm7A1 SER 202 H 0.08 0.13 -0.55 -0.55 8.46 7.57 1cm7A1 SER 202 HA 0.13 0.06 0.54 -0.75 4.49 4.47 1cm7A1 SER 202 HB2 0.07 0.15 -0.04 -0.04 3.95 4.09 1cm7A1 SER 202 HB3 0.09 -0.00 -0.31 -0.04 3.93 3.66 1cm7A1 ILE 203 H 0.08 0.37 -0.13 -0.55 8.25 8.02 1cm7A1 ILE 203 HA 0.07 0.07 0.75 -0.75 4.18 4.31 1cm7A1 ILE 203 HB 0.05 0.10 0.20 -0.04 1.89 2.20 1cm7A1 ILE 203 HG12 0.04 0.06 0.07 -0.04 1.49 1.62 1cm7A1 ILE 203 HG13 0.05 0.02 -0.01 -0.04 1.21 1.22 1cm7A1 ILE 203 HG23 0.03 -0.00 -0.07 -0.04 0.93 0.84 1cm7A1 ILE 203 HD13 0.02 0.01 -0.07 -0.04 0.88 0.80 1cm7A1 LEU 204 H 0.09 0.37 -0.10 -0.55 8.37 8.18 1cm7A1 LEU 204 HA 0.04 0.10 0.51 -0.75 4.35 4.25 1cm7A1 LEU 204 HB2 0.07 0.09 0.17 -0.04 1.64 1.93 1cm7A1 LEU 204 HB3 0.08 -0.02 -0.05 -0.04 1.64 1.61 1cm7A1 LEU 204 HG 0.03 0.04 0.02 -0.04 1.64 1.69 1cm7A1 LEU 204 HD13 0.02 -0.00 -0.10 -0.04 0.93 0.81 1cm7A1 LEU 204 HD23 0.01 0.00 0.01 -0.04 0.89 0.87 1cm7A1 TRP 205 H 0.26 0.43 -0.07 -0.55 7.97 8.05 1cm7A1 TRP 205 HA -0.06 0.01 0.46 -0.75 4.62 4.27 1cm7A1 TRP 205 HB2 -0.09 0.05 0.16 -0.04 3.23 3.31 1cm7A1 TRP 205 HB3 -0.01 0.03 0.09 -0.04 3.23 3.29 1cm7A1 TRP 205 HD1 0.05 0.03 -0.43 -0.04 7.22 6.83 1cm7A1 TRP 205 HE1 0.01 0.06 -0.11 -0.04 10.20 10.12 1cm7A1 TRP 205 HE3 -0.62 -0.02 0.01 -0.04 7.59 6.92 1cm7A1 TRP 205 HZ2 -0.06 0.07 -0.35 -0.04 7.44 7.05 1cm7A1 TRP 205 HZ3 -1.00 -0.07 -0.02 -0.04 7.13 6.00 1cm7A1 TRP 205 HH2 -0.15 0.14 -0.26 -0.04 7.19 6.88 1cm7A1 ARG 206 H 0.30 0.37 -0.27 -0.55 8.46 8.30 1cm7A1 ARG 206 HA 0.23 0.04 0.46 -0.75 4.34 4.32 1cm7A1 ARG 206 HB2 0.09 0.02 0.12 -0.04 1.90 2.09 1cm7A1 ARG 206 HB3 0.03 0.05 0.13 -0.04 1.80 1.97 1cm7A1 ARG 206 HG2 -0.15 0.03 -0.09 -0.04 1.67 1.42 1cm7A1 ARG 206 HG3 -0.34 0.02 -0.27 -0.04 1.67 1.04 1cm7A1 ARG 206 HD2 -1.22 0.03 -0.05 -0.04 3.22 1.93 1cm7A1 ARG 206 HD3 -0.09 -0.07 -0.03 -0.04 3.22 2.99 1cm7A1 GLU 207 H 0.03 0.39 0.02 -0.55 8.60 8.49 1cm7A1 GLU 207 HA 0.01 0.03 0.50 -0.75 4.29 4.08 1cm7A1 GLU 207 HB2 0.02 0.29 0.23 -0.04 2.09 2.60 1cm7A1 GLU 207 HB3 0.01 0.06 0.09 -0.04 1.99 2.11 1cm7A1 GLU 207 HG2 0.00 -0.02 -0.19 -0.04 2.34 2.08 1cm7A1 GLU 207 HG3 0.01 -0.00 0.00 -0.04 2.34 2.31 1cm7A1 ILE 208 H -0.03 0.70 -0.16 -0.55 8.25 8.21 1cm7A1 ILE 208 HA -0.04 0.05 0.62 -0.75 4.18 4.05 1cm7A1 ILE 208 HB -0.18 0.06 0.05 -0.04 1.89 1.77 1cm7A1 ILE 208 HG12 -0.03 -0.01 -0.00 -0.04 1.49 1.40 1cm7A1 ILE 208 HG13 -0.04 0.28 0.04 -0.04 1.21 1.45 1cm7A1 ILE 208 HG23 -0.12 -0.01 -0.13 -0.04 0.93 0.62 1cm7A1 ILE 208 HD13 -0.05 -0.04 -0.03 -0.04 0.88 0.72 1cm7A1 VAL 209 H -0.08 0.47 -0.17 -0.55 8.24 7.91 1cm7A1 VAL 209 HA -0.03 0.00 0.47 -0.75 4.13 3.81 1cm7A1 VAL 209 HB 0.17 0.13 0.26 -0.04 2.12 2.64 1cm7A1 VAL 209 HG13 0.22 -0.01 -0.08 -0.04 0.97 1.06 1cm7A1 VAL 209 HG23 -0.31 0.03 0.05 -0.04 0.95 0.67 1cm7A1 ASN 210 H 0.07 0.43 -0.26 -0.55 8.53 8.23 1cm7A1 ASN 210 HA 0.11 0.06 0.27 -0.75 4.76 4.46 1cm7A1 ASN 210 HB2 0.05 0.11 0.16 -0.04 2.88 3.16 1cm7A1 ASN 210 HB3 0.07 -0.01 0.01 -0.04 2.79 2.81 1cm7A1 ASN 210 HD21 0.04 -0.06 -0.07 -0.04 7.03 6.89 1cm7A1 ASN 210 HD22 0.03 -0.02 -0.03 -0.04 7.74 7.68 1cm7A1 GLU 211 H -0.00 0.24 -0.34 -0.55 8.60 7.95 1cm7A1 GLU 211 HA -0.01 0.07 0.56 -0.75 4.29 4.16 1cm7A1 GLU 211 HB2 -0.03 0.08 0.15 -0.04 2.09 2.25 1cm7A1 GLU 211 HB3 -0.02 -0.03 0.00 -0.04 1.99 1.90 1cm7A1 GLU 211 HG2 -0.01 -0.03 0.03 -0.04 2.34 2.29 1cm7A1 GLU 211 HG3 -0.01 0.36 0.18 -0.04 2.34 2.83 1cm7A1 ILE 212 H -0.05 0.53 -0.02 -0.55 8.25 8.16 1cm7A1 ILE 212 HA -0.06 0.02 0.42 -0.75 4.18 3.81 1cm7A1 ILE 212 HB -0.06 0.10 0.17 -0.04 1.89 2.06 1cm7A1 ILE 212 HG12 -0.04 -0.01 0.06 -0.04 1.49 1.47 1cm7A1 ILE 212 HG13 0.00 0.01 0.05 -0.04 1.21 1.24 1cm7A1 ILE 212 HG23 -0.20 -0.01 -0.20 -0.04 0.93 0.48 1cm7A1 ILE 212 HD13 -0.04 0.00 -0.01 -0.04 0.88 0.80 1cm7A1 ALA 213 H -0.11 0.45 -0.35 -0.55 8.40 7.85 1cm7A1 ALA 213 HA -0.67 0.01 0.15 -0.75 4.34 3.07 1cm7A1 ALA 213 HB3 0.04 0.05 0.01 -0.04 1.41 1.47 1cm7A1 THR 214 H -0.06 0.39 -0.50 -0.55 8.28 7.56 1cm7A1 THR 214 HA -0.02 0.05 0.43 -0.75 4.39 4.09 1cm7A1 THR 214 HB -0.03 -0.07 0.10 -0.04 4.32 4.28 1cm7A1 THR 214 HG23 -0.01 0.02 0.10 -0.04 1.22 1.29 1cm7A1 GLU 215 H -0.10 0.57 -0.25 -0.55 8.60 8.28 1cm7A1 GLU 215 HA -0.18 0.03 0.42 -0.75 4.29 3.80 1cm7A1 GLU 215 HB2 -0.41 0.05 -0.03 -0.04 2.09 1.65 1cm7A1 GLU 215 HB3 -0.36 -0.07 0.12 -0.04 1.99 1.63 1cm7A1 GLU 215 HG2 -0.11 -0.07 0.01 -0.04 2.34 2.13 1cm7A1 GLU 215 HG3 -0.09 0.22 0.18 -0.04 2.34 2.61 1cm7A1 TYR 216 H -0.02 0.42 -0.56 -0.55 8.29 7.58 1cm7A1 TYR 216 HA -0.02 0.16 0.82 -0.75 4.56 4.75 1cm7A1 TYR 216 HB2 -0.29 0.03 0.11 -0.04 3.06 2.87 1cm7A1 TYR 216 HB3 0.08 -0.07 0.05 -0.04 2.98 3.01 1cm7A1 TYR 216 HD2 -0.25 0.07 -0.16 -0.04 7.15 6.76 1cm7A1 TYR 216 HE2 -0.06 -0.02 -0.10 -0.04 6.85 6.63 1cm7A1 PRO 217 HA 0.06 0.12 0.25 -0.51 4.44 4.36 1cm7A1 PRO 217 HB2 0.03 -0.01 0.03 -0.04 2.28 2.29 1cm7A1 PRO 217 HB3 0.01 0.04 0.10 -0.04 2.02 2.13 1cm7A1 PRO 217 HG2 0.02 -0.02 0.05 -0.04 2.03 2.05 1cm7A1 PRO 217 HG3 -0.01 0.02 0.04 -0.04 2.03 2.05 1cm7A1 PRO 217 HD2 -0.03 0.14 -0.03 -0.04 3.68 3.72 1cm7A1 PRO 217 HD3 -0.05 0.27 -0.25 -0.04 3.65 3.59 1cm7A1 ASP 218 H 0.13 0.08 -0.31 -0.55 8.40 7.75 1cm7A1 ASP 218 HA 0.10 0.09 0.25 -0.75 4.63 4.32 1cm7A1 ASP 218 HB2 0.16 0.02 0.08 -0.04 2.71 2.93 1cm7A1 ASP 218 HB3 0.10 -0.05 0.02 -0.04 2.70 2.74 1cm7A1 VAL 219 H 0.22 0.43 -0.42 -0.55 8.24 7.92 1cm7A1 VAL 219 HA 0.24 0.24 0.96 -0.75 4.13 4.81 1cm7A1 VAL 219 HB 0.39 0.05 0.02 -0.04 2.12 2.54 1cm7A1 VAL 219 HG13 0.03 -0.03 -0.38 -0.04 0.97 0.55 1cm7A1 VAL 219 HG23 0.09 -0.01 -0.20 -0.04 0.95 0.78 1cm7A1 GLU 220 H 0.12 0.66 0.31 -0.55 8.60 9.15 1cm7A1 GLU 220 HA 0.09 0.09 0.68 -0.75 4.29 4.39 1cm7A1 GLU 220 HB2 0.06 0.04 0.14 -0.04 2.09 2.29 1cm7A1 GLU 220 HB3 0.05 0.04 0.25 -0.04 1.99 2.29 1cm7A1 GLU 220 HG2 0.03 -0.01 -0.21 -0.04 2.34 2.11 1cm7A1 GLU 220 HG3 0.03 -0.01 0.05 -0.04 2.34 2.37 1cm7A1 LEU 221 H 0.06 0.22 0.22 -0.55 8.37 8.31 1cm7A1 LEU 221 HA -0.04 0.23 1.02 -0.75 4.35 4.81 1cm7A1 LEU 221 HB2 0.22 0.05 -0.04 -0.04 1.64 1.83 1cm7A1 LEU 221 HB3 0.08 0.00 0.13 -0.04 1.64 1.81 1cm7A1 LEU 221 HG -0.29 -0.06 -0.32 -0.04 1.64 0.92 1cm7A1 LEU 221 HD13 -0.03 0.02 -0.02 -0.04 0.93 0.85 1cm7A1 LEU 221 HD23 0.16 -0.01 -0.13 -0.04 0.89 0.86 1cm7A1 ALA 222 H -0.09 0.74 0.43 -0.55 8.40 8.93 1cm7A1 ALA 222 HA -0.09 0.15 0.72 -0.75 4.34 4.36 1cm7A1 ALA 222 HB3 -0.01 0.01 0.06 -0.04 1.41 1.44 1cm7A1 HIS 223 H 0.02 0.21 0.18 -0.55 8.41 8.28 1cm7A1 HIS 223 HA 0.01 0.30 0.99 -0.75 4.63 5.18 1cm7A1 HIS 223 HB2 -0.04 -0.02 0.07 -0.04 3.26 3.23 1cm7A1 HIS 223 HB3 -0.03 -0.07 0.02 -0.04 3.20 3.08 1cm7A1 HIS 223 HD2 0.03 0.03 -0.07 -0.04 6.97 6.91 1cm7A1 HIS 223 HE1 0.11 0.02 -0.05 -0.04 7.75 7.79 1cm7A1 MET 224 H 0.01 0.69 0.33 -0.55 8.47 8.95 1cm7A1 MET 224 HA -0.18 0.09 0.64 -0.75 4.52 4.32 1cm7A1 MET 224 HB2 0.03 0.12 -0.21 -0.04 2.15 2.05 1cm7A1 MET 224 HB3 -0.04 0.01 -0.06 -0.04 2.03 1.90 1cm7A1 MET 224 HG2 -0.03 0.04 -0.07 -0.04 2.63 2.53 1cm7A1 MET 224 HG3 -0.02 -0.04 0.05 -0.04 2.56 2.51 1cm7A1 MET 224 HE3 0.16 0.02 -0.09 -0.04 2.10 2.15 1cm7A1 TYR 225 H -0.30 0.15 0.15 -0.55 8.29 7.74 1cm7A1 TYR 225 HA -0.13 0.41 1.05 -0.75 4.56 5.14 1cm7A1 TYR 225 HB2 -0.08 -0.11 0.06 -0.04 3.06 2.89 1cm7A1 TYR 225 HB3 -0.13 -0.05 0.18 -0.04 2.98 2.93 1cm7A1 TYR 225 HD2 -0.04 0.02 -0.07 -0.04 7.15 7.01 1cm7A1 TYR 225 HE2 -0.01 0.02 -0.07 -0.04 6.85 6.75 1cm7A1 ILE 226 H -0.28 0.35 0.24 -0.55 8.25 8.01 1cm7A1 ILE 226 HA -0.28 0.11 0.07 -0.75 4.18 3.33 1cm7A1 ILE 226 HB -1.31 -0.03 0.04 -0.04 1.89 0.55 1cm7A1 ILE 226 HG12 -0.43 -0.00 -0.03 -0.04 1.49 0.98 1cm7A1 ILE 226 HG13 -0.24 0.04 -0.19 -0.04 1.21 0.78 1cm7A1 ILE 226 HG23 -0.50 0.01 0.02 -0.04 0.93 0.42 1cm7A1 ILE 226 HD13 -0.20 0.00 0.02 -0.04 0.88 0.66 1cm7A1 ASP 227 H -0.09 0.04 -0.13 -0.55 8.40 7.67 1cm7A1 ASP 227 HA -0.07 0.21 0.61 -0.75 4.63 4.63 1cm7A1 ASP 227 HB2 -0.03 0.10 0.05 -0.04 2.71 2.79 1cm7A1 ASP 227 HB3 -0.06 0.04 0.06 -0.04 2.70 2.70 1cm7A1 ASN 228 H 0.03 0.04 -0.06 -0.55 8.53 7.99 1cm7A1 ASN 228 HA 0.02 0.12 0.47 -0.75 4.76 4.61 1cm7A1 ASN 228 HB2 0.02 -0.01 0.15 -0.04 2.88 3.00 1cm7A1 ASN 228 HB3 0.03 0.09 0.01 -0.04 2.79 2.88 1cm7A1 ASN 228 HD21 0.04 0.03 -0.00 -0.04 7.03 7.06 1cm7A1 ASN 228 HD22 0.03 0.05 0.04 -0.04 7.74 7.82 1cm7A1 ALA 229 H -0.04 0.39 -0.26 -0.55 8.40 7.94 1cm7A1 ALA 229 HA 0.03 0.07 0.36 -0.75 4.34 4.06 1cm7A1 ALA 229 HB3 -0.16 0.02 -0.07 -0.04 1.41 1.16 1cm7A1 THR 230 H -0.06 0.33 -0.26 -0.55 8.28 7.74 1cm7A1 THR 230 HA -0.05 0.07 0.35 -0.75 4.39 4.01 1cm7A1 THR 230 HB -0.04 0.07 0.13 -0.04 4.32 4.44 1cm7A1 THR 230 HG23 -0.03 -0.00 -0.05 -0.04 1.22 1.10 1cm7A1 MET 231 H -0.00 0.26 -0.33 -0.55 8.47 7.85 1cm7A1 MET 231 HA -0.00 0.10 0.50 -0.75 4.52 4.36 1cm7A1 MET 231 HB2 0.01 0.09 0.04 -0.04 2.15 2.25 1cm7A1 MET 231 HB3 0.00 -0.02 -0.02 -0.04 2.03 1.95 1cm7A1 MET 231 HG2 -0.00 -0.02 -0.01 -0.04 2.63 2.56 1cm7A1 MET 231 HG3 -0.00 0.20 0.08 -0.04 2.56 2.80 1cm7A1 MET 231 HE3 0.01 -0.02 -0.05 -0.04 2.10 2.00 1cm7A1 GLN 232 H 0.06 0.47 -0.06 -0.55 8.47 8.39 1cm7A1 GLN 232 HA 0.03 0.02 0.68 -0.75 4.36 4.34 1cm7A1 GLN 232 HB2 0.29 0.02 0.04 -0.04 2.15 2.47 1cm7A1 GLN 232 HB3 0.11 0.05 -0.02 -0.04 2.02 2.12 1cm7A1 GLN 232 HG2 0.06 0.11 0.06 -0.04 2.40 2.59 1cm7A1 GLN 232 HG3 0.10 -0.06 -0.06 -0.04 2.39 2.33 1cm7A1 GLN 232 HE21 -0.02 0.02 -0.02 -0.04 6.97 6.91 1cm7A1 GLN 232 HE22 0.01 -0.03 -0.13 -0.04 7.69 7.49 1cm7A1 LEU 233 H 0.07 0.41 -0.28 -0.55 8.37 8.02 1cm7A1 LEU 233 HA 0.10 0.08 0.41 -0.75 4.35 4.19 1cm7A1 LEU 233 HB2 -0.03 0.08 -0.05 -0.04 1.64 1.60 1cm7A1 LEU 233 HB3 -0.07 0.05 -0.21 -0.04 1.64 1.37 1cm7A1 LEU 233 HG -0.10 -0.00 -0.12 -0.04 1.64 1.38 1cm7A1 LEU 233 HD13 0.03 -0.01 -0.06 -0.04 0.93 0.84 1cm7A1 LEU 233 HD23 -0.14 0.02 -0.08 -0.04 0.89 0.65 1cm7A1 ILE 234 H 0.00 0.14 -0.62 -0.55 8.25 7.21 1cm7A1 ILE 234 HA -0.03 0.13 0.65 -0.75 4.18 4.18 1cm7A1 ILE 234 HB -0.01 0.13 0.13 -0.04 1.89 2.11 1cm7A1 ILE 234 HG12 -0.02 0.00 -0.02 -0.04 1.49 1.42 1cm7A1 ILE 234 HG13 -0.02 0.01 -0.08 -0.04 1.21 1.08 1cm7A1 ILE 234 HG23 -0.00 -0.02 -0.10 -0.04 0.93 0.76 1cm7A1 ILE 234 HD13 -0.01 -0.02 0.01 -0.04 0.88 0.82 1cm7A1 LYS 235 H 0.00 0.15 -0.11 -0.55 8.42 7.91 1cm7A1 LYS 235 HA -0.01 0.03 0.26 -0.75 4.32 3.84 1cm7A1 LYS 235 HB2 -0.00 0.02 0.10 -0.04 1.87 1.94 1cm7A1 LYS 235 HB3 -0.01 -0.05 0.20 -0.04 1.79 1.88 1cm7A1 LYS 235 HG2 -0.02 0.04 -0.12 -0.04 1.46 1.32 1cm7A1 LYS 235 HG3 -0.01 -0.05 0.00 -0.04 1.46 1.36 1cm7A1 LYS 235 HD2 -0.02 -0.03 -0.02 -0.04 1.69 1.58 1cm7A1 LYS 235 HD3 -0.03 0.03 -0.08 -0.04 1.68 1.56 1cm7A1 LYS 235 HE2 -0.02 0.00 -0.03 -0.04 2.99 2.90 1cm7A1 LYS 235 HE3 -0.01 -0.01 -0.03 -0.04 2.99 2.90 1cm7A1 ASP 236 H -0.03 0.42 -0.03 -0.55 8.40 8.22 1cm7A1 ASP 236 HA -0.02 0.21 0.62 -0.75 4.63 4.69 1cm7A1 ASP 236 HB2 -0.05 0.05 -0.17 -0.04 2.71 2.51 1cm7A1 ASP 236 HB3 -0.10 -0.06 0.12 -0.04 2.70 2.62 1cm7A1 PRO 237 HA 0.06 0.02 0.47 -0.51 4.44 4.48 1cm7A1 PRO 237 HB2 -0.39 -0.01 -0.01 -0.04 2.28 1.82 1cm7A1 PRO 237 HB3 -0.28 0.13 0.10 -0.04 2.02 1.94 1cm7A1 PRO 237 HG2 0.09 0.13 -0.12 -0.04 2.03 2.09 1cm7A1 PRO 237 HG3 -0.17 0.05 -0.09 -0.04 2.03 1.78 1cm7A1 PRO 237 HD2 0.01 0.12 -0.05 -0.04 3.68 3.71 1cm7A1 PRO 237 HD3 -0.04 0.20 -0.47 -0.04 3.65 3.30 1cm7A1 SER 238 H -0.02 0.06 -0.55 -0.55 8.46 7.41 1cm7A1 SER 238 HA 0.10 0.12 0.36 -0.75 4.49 4.32 1cm7A1 SER 238 HB2 0.04 0.04 0.07 -0.04 3.95 4.06 1cm7A1 SER 238 HB3 0.07 0.22 0.00 -0.04 3.93 4.18 1cm7A1 GLN 239 H -0.23 0.21 -0.49 -0.55 8.47 7.42 1cm7A1 GLN 239 HA -0.14 0.14 0.50 -0.75 4.36 4.10 1cm7A1 GLN 239 HB2 -0.36 -0.06 0.02 -0.04 2.15 1.70 1cm7A1 GLN 239 HB3 -0.28 -0.03 -0.01 -0.04 2.02 1.67 1cm7A1 GLN 239 HG2 -0.76 0.25 -0.01 -0.04 2.40 1.85 1cm7A1 GLN 239 HG3 -1.95 -0.06 -0.37 -0.04 2.39 -0.03 1cm7A1 GLN 239 HE21 -0.20 -0.18 0.02 -0.04 6.97 6.57 1cm7A1 GLN 239 HE22 -0.29 0.54 0.17 -0.04 7.69 8.07 1cm7A1 PHE 240 H 0.01 0.28 -0.30 -0.55 8.34 7.78 1cm7A1 PHE 240 HA -0.02 0.08 0.73 -0.75 4.62 4.65 1cm7A1 PHE 240 HB2 -0.03 0.12 -0.01 -0.04 3.15 3.19 1cm7A1 PHE 240 HB3 -0.03 -0.03 -0.17 -0.04 3.06 2.79 1cm7A1 PHE 240 HD2 -0.05 0.07 -0.11 -0.04 7.28 7.15 1cm7A1 PHE 240 HE2 -0.05 -0.05 -0.26 -0.04 7.38 6.97 1cm7A1 PHE 240 HZ -0.05 -0.10 -0.14 -0.04 7.32 7.00 1cm7A1 ASP 241 H 0.13 0.08 -0.06 -0.55 8.40 8.00 1cm7A1 ASP 241 HA 0.07 0.36 0.88 -0.75 4.63 5.18 1cm7A1 ASP 241 HB2 0.05 0.10 0.02 -0.04 2.71 2.84 1cm7A1 ASP 241 HB3 0.03 0.13 0.32 -0.04 2.70 3.13 1cm7A1 VAL 242 H -0.01 0.51 0.30 -0.55 8.24 8.49 1cm7A1 VAL 242 HA -0.03 0.23 0.74 -0.75 4.13 4.32 1cm7A1 VAL 242 HB -0.12 0.01 0.25 -0.04 2.12 2.22 1cm7A1 VAL 242 HG13 -0.10 0.01 -0.07 -0.04 0.97 0.76 1cm7A1 VAL 242 HG23 -0.05 -0.01 -0.06 -0.04 0.95 0.79 1cm7A1 LEU 243 H -0.06 0.67 0.38 -0.55 8.37 8.80 1cm7A1 LEU 243 HA -0.11 0.25 0.88 -0.75 4.35 4.61 1cm7A1 LEU 243 HB2 -0.10 -0.08 0.21 -0.04 1.64 1.62 1cm7A1 LEU 243 HB3 -0.15 -0.06 -0.02 -0.04 1.64 1.37 1cm7A1 LEU 243 HG -0.17 0.09 -0.12 -0.04 1.64 1.39 1cm7A1 LEU 243 HD13 -0.24 -0.01 -0.11 -0.04 0.93 0.53 1cm7A1 LEU 243 HD23 -0.58 0.01 -0.04 -0.04 0.89 0.23 1cm7A1 LEU 244 H -0.04 0.68 0.21 -0.55 8.37 8.68 1cm7A1 LEU 244 HA 0.06 0.17 0.83 -0.75 4.35 4.65 1cm7A1 LEU 244 HB2 -0.03 0.04 -0.04 -0.04 1.64 1.57 1cm7A1 LEU 244 HB3 0.21 -0.15 0.16 -0.04 1.64 1.82 1cm7A1 LEU 244 HG -0.05 0.06 -0.03 -0.04 1.64 1.58 1cm7A1 LEU 244 HD13 0.07 -0.02 -0.03 -0.04 0.93 0.90 1cm7A1 LEU 244 HD23 0.27 -0.02 -0.22 -0.04 0.89 0.88 1cm7A1 CYS 245 H 0.13 0.55 0.31 -0.55 8.50 8.94 1cm7A1 CYS 245 HA -0.15 0.15 1.09 -0.75 4.58 4.92 1cm7A1 CYS 245 HB2 -0.01 0.09 -0.00 -0.04 2.97 3.01 1cm7A1 CYS 245 HB3 -0.03 -0.23 -0.11 -0.04 2.97 2.57 1cm7A1 SER 246 H -0.66 0.13 0.21 -0.55 8.46 7.59 1cm7A1 SER 246 HA -0.17 0.16 0.64 -0.75 4.49 4.36 1cm7A1 SER 246 HB2 -0.16 -0.10 0.20 -0.04 3.95 3.85 1cm7A1 SER 246 HB3 -1.10 0.11 0.17 -0.04 3.93 3.06 1cm7A1 ASN 247 H 0.06 0.04 0.13 -0.55 8.53 8.22 1cm7A1 ASN 247 HA 0.00 0.53 0.41 -0.75 4.76 4.95 1cm7A1 ASN 247 HB2 0.07 -0.08 0.01 -0.04 2.88 2.83 1cm7A1 ASN 247 HB3 -0.34 -0.26 0.17 -0.04 2.79 2.32 1cm7A1 ASN 247 HD21 0.60 0.19 -0.15 -0.04 7.03 7.62 1cm7A1 ASN 247 HD22 0.26 0.57 -0.02 -0.04 7.74 8.51 1cm7A1 LEU 248 H -0.45 -0.05 0.03 -0.55 8.37 7.35 1cm7A1 LEU 248 HA -0.36 0.20 0.38 -0.75 4.35 3.82 1cm7A1 LEU 248 HB2 -0.54 -0.00 0.09 -0.04 1.64 1.15 1cm7A1 LEU 248 HB3 -0.64 -0.15 0.09 -0.04 1.64 0.91 1cm7A1 LEU 248 HG -0.05 0.01 -0.30 -0.04 1.64 1.26 1cm7A1 LEU 248 HD13 0.07 0.03 -0.03 -0.04 0.93 0.96 1cm7A1 LEU 248 HD23 -0.18 0.00 -0.03 -0.04 0.89 0.64 1cm7A1 PHE 249 H -0.49 -0.02 -0.16 -0.55 8.34 7.12 1cm7A1 PHE 249 HA -0.10 0.10 0.50 -0.75 4.62 4.37 1cm7A1 PHE 249 HB2 -0.24 -0.05 0.09 -0.04 3.15 2.90 1cm7A1 PHE 249 HB3 -0.16 0.08 0.03 -0.04 3.06 2.97 1cm7A1 PHE 249 HD2 -0.22 0.12 -0.04 -0.04 7.28 7.09 1cm7A1 PHE 249 HE2 -0.13 -0.02 -0.03 -0.04 7.38 7.16 1cm7A1 PHE 249 HZ -0.09 0.01 -0.01 -0.04 7.32 7.19 1cm7A1 GLY 250 H -0.03 0.46 -0.42 -0.55 8.43 7.88 1cm7A1 GLY 250 HA2 -0.00 0.02 0.20 -0.51 4.01 3.73 1cm7A1 GLY 250 HA3 0.00 0.18 0.20 -0.51 4.01 3.88 1cm7A1 ASP 251 H 0.01 0.31 -0.20 -0.55 8.40 7.97 1cm7A1 ASP 251 HA 0.05 0.09 0.48 -0.75 4.63 4.50 1cm7A1 ASP 251 HB2 0.11 0.12 0.17 -0.04 2.71 3.07 1cm7A1 ASP 251 HB3 0.10 0.05 0.08 -0.04 2.70 2.89 1cm7A1 ILE 252 H 0.05 0.33 -0.24 -0.55 8.25 7.85 1cm7A1 ILE 252 HA 0.03 0.09 0.50 -0.75 4.18 4.05 1cm7A1 ILE 252 HB 0.06 0.05 0.16 -0.04 1.89 2.12 1cm7A1 ILE 252 HG12 0.06 0.02 -0.01 -0.04 1.49 1.52 1cm7A1 ILE 252 HG13 0.08 0.14 0.05 -0.04 1.21 1.45 1cm7A1 ILE 252 HG23 0.00 -0.01 -0.10 -0.04 0.93 0.78 1cm7A1 ILE 252 HD13 0.12 -0.04 -0.05 -0.04 0.88 0.86 1cm7A1 LEU 253 H 0.01 0.49 -0.05 -0.55 8.37 8.27 1cm7A1 LEU 253 HA -0.05 0.04 0.14 -0.75 4.35 3.73 1cm7A1 LEU 253 HB2 -0.05 0.05 0.04 -0.04 1.64 1.64 1cm7A1 LEU 253 HB3 -0.10 0.03 -0.08 -0.04 1.64 1.45 1cm7A1 LEU 253 HG -0.07 -0.00 -0.01 -0.04 1.64 1.52 1cm7A1 LEU 253 HD13 -0.16 -0.02 -0.13 -0.04 0.93 0.57 1cm7A1 LEU 253 HD23 -0.10 0.00 -0.18 -0.04 0.89 0.57 1cm7A1 SER 254 H -0.01 0.59 -0.17 -0.55 8.46 8.32 1cm7A1 SER 254 HA -0.02 0.05 0.52 -0.75 4.49 4.29 1cm7A1 SER 254 HB2 0.00 0.00 0.06 -0.04 3.95 3.98 1cm7A1 SER 254 HB3 -0.00 0.02 0.10 -0.04 3.93 4.01 1cm7A1 ASP 255 H 0.01 0.30 -0.45 -0.55 8.40 7.72 1cm7A1 ASP 255 HA 0.01 0.06 0.50 -0.75 4.63 4.44 1cm7A1 ASP 255 HB2 0.01 0.17 0.17 -0.04 2.71 3.03 1cm7A1 ASP 255 HB3 0.01 -0.06 -0.03 -0.04 2.70 2.58 1cm7A1 GLU 256 H -0.01 0.50 -0.01 -0.55 8.60 8.53 1cm7A1 GLU 256 HA -0.02 0.04 0.57 -0.75 4.29 4.13 1cm7A1 GLU 256 HB2 -0.03 0.03 0.05 -0.04 2.09 2.09 1cm7A1 GLU 256 HB3 -0.05 0.05 -0.08 -0.04 1.99 1.87 1cm7A1 GLU 256 HG2 -0.04 0.02 -0.08 -0.04 2.34 2.20 1cm7A1 GLU 256 HG3 -0.03 -0.03 0.02 -0.04 2.34 2.26 1cm7A1 CYS 257 H -0.04 0.53 -0.19 -0.55 8.50 8.25 1cm7A1 CYS 257 HA -0.10 0.09 0.67 -0.75 4.58 4.48 1cm7A1 CYS 257 HB2 -0.01 0.14 0.10 -0.04 2.97 3.16 1cm7A1 CYS 257 HB3 -0.00 -0.02 -0.04 -0.04 2.97 2.87 1cm7A1 ALA 258 H 0.01 0.45 -0.13 -0.55 8.40 8.18 1cm7A1 ALA 258 HA 0.07 0.00 0.40 -0.75 4.34 4.06 1cm7A1 ALA 258 HB3 0.04 0.04 0.08 -0.04 1.41 1.53 1cm7A1 MET 259 H 0.02 0.40 -0.29 -0.55 8.47 8.04 1cm7A1 MET 259 HA 0.04 0.03 0.49 -0.75 4.52 4.33 1cm7A1 MET 259 HB2 0.01 0.02 0.10 -0.04 2.15 2.24 1cm7A1 MET 259 HB3 0.00 0.09 0.10 -0.04 2.03 2.19 1cm7A1 MET 259 HG2 0.01 -0.05 -0.02 -0.04 2.63 2.52 1cm7A1 MET 259 HG3 0.01 0.03 -0.18 -0.04 2.56 2.38 1cm7A1 MET 259 HE3 0.01 -0.01 -0.02 -0.04 2.10 2.04 1cm7A1 ILE 260 H -0.00 0.34 -0.30 -0.55 8.25 7.74 1cm7A1 ILE 260 HA 0.05 0.04 0.21 -0.75 4.18 3.72 1cm7A1 ILE 260 HB -0.14 -0.03 0.08 -0.04 1.89 1.76 1cm7A1 ILE 260 HG12 -0.15 0.08 0.25 -0.04 1.49 1.62 1cm7A1 ILE 260 HG13 -0.24 0.04 -0.05 -0.04 1.21 0.93 1cm7A1 ILE 260 HG23 -0.07 0.07 0.01 -0.04 0.93 0.90 1cm7A1 ILE 260 HD13 -0.69 -0.01 -0.01 -0.04 0.88 0.13 1cm7A1 THR 261 H 0.16 0.27 -0.46 -0.55 8.28 7.70 1cm7A1 THR 261 HA 0.43 0.06 0.31 -0.75 4.39 4.44 1cm7A1 THR 261 HB 0.16 -0.03 0.06 -0.04 4.32 4.46 1cm7A1 THR 261 HG23 0.26 0.09 -0.07 -0.04 1.22 1.46 1cm7A1 GLY 262 H 0.13 0.45 -0.38 -0.55 8.43 8.09 1cm7A1 GLY 262 HA2 0.10 0.11 0.26 -0.51 4.01 3.97 1cm7A1 GLY 262 HA3 0.18 0.11 0.15 -0.51 4.01 3.94 1cm7A1 SER 263 H 0.14 -0.02 -0.47 -0.55 8.46 7.57 1cm7A1 SER 263 HA 0.16 0.25 0.91 -0.75 4.49 5.06 1cm7A1 SER 263 HB2 0.14 -0.09 -0.03 -0.04 3.95 3.92 1cm7A1 SER 263 HB3 0.18 0.12 -0.07 -0.04 3.93 4.12 1cm7A1 MET 264 H 0.10 0.15 0.09 -0.55 8.47 8.27 1cm7A1 MET 264 HA 0.07 0.07 0.44 -0.75 4.52 4.34 1cm7A1 MET 264 HB2 0.05 0.25 -0.27 -0.04 2.15 2.14 1cm7A1 MET 264 HB3 0.04 -0.01 -0.10 -0.04 2.03 1.93 1cm7A1 MET 264 HG2 0.06 0.09 -0.13 -0.04 2.63 2.60 1cm7A1 MET 264 HG3 0.06 0.02 -0.31 -0.04 2.56 2.29 1cm7A1 MET 264 HE3 0.02 0.01 -0.10 -0.04 2.10 1.98 1cm7A1 GLY 265 H 0.06 0.76 0.33 -0.55 8.43 9.03 1cm7A1 GLY 265 HA2 0.04 0.06 0.56 -0.51 4.01 4.16 1cm7A1 GLY 265 HA3 0.05 0.06 0.37 -0.51 4.01 3.98 1cm7A1 MET 266 H 0.07 -0.01 -0.91 -0.55 8.47 7.07 1cm7A1 MET 266 HA 0.05 0.04 0.55 -0.75 4.52 4.40 1cm7A1 MET 266 HB2 0.06 0.02 -0.12 -0.04 2.15 2.07 1cm7A1 MET 266 HB3 0.10 -0.01 -0.07 -0.04 2.03 2.01 1cm7A1 MET 266 HG2 0.08 0.06 -0.07 -0.04 2.63 2.66 1cm7A1 MET 266 HG3 0.01 -0.13 0.02 -0.04 2.56 2.42 1cm7A1 MET 266 HE3 0.02 -0.00 -0.06 -0.04 2.10 2.01 1cm7A1 LEU 267 H 0.06 0.37 -0.18 -0.55 8.37 8.07 1cm7A1 LEU 267 HA 0.09 0.14 0.10 -0.75 4.35 3.92 1cm7A1 LEU 267 HB2 0.06 -0.02 0.14 -0.04 1.64 1.78 1cm7A1 LEU 267 HB3 0.07 0.24 0.11 -0.04 1.64 2.02 1cm7A1 LEU 267 HG 0.08 -0.28 0.11 -0.04 1.64 1.51 1cm7A1 LEU 267 HD13 0.06 0.04 0.11 -0.04 0.93 1.09 1cm7A1 LEU 267 HD23 0.11 0.07 0.06 -0.04 0.89 1.08 1cm7A1 PRO 268 HA 0.06 0.07 0.85 -0.51 4.44 4.92 1cm7A1 PRO 268 HB2 0.09 0.05 -0.09 -0.04 2.28 2.30 1cm7A1 PRO 268 HB3 0.07 0.02 -0.12 -0.04 2.02 1.95 1cm7A1 PRO 268 HG2 0.09 0.05 -0.05 -0.04 2.03 2.08 1cm7A1 PRO 268 HG3 0.09 0.00 -0.05 -0.04 2.03 2.03 1cm7A1 PRO 268 HD2 0.08 0.19 0.22 -0.04 3.68 4.13 1cm7A1 PRO 268 HD3 0.10 0.14 0.19 -0.04 3.65 4.04 1cm7A1 SER 269 H 0.06 0.51 0.38 -0.55 8.46 8.86 1cm7A1 SER 269 HA 0.01 0.25 0.82 -0.75 4.49 4.82 1cm7A1 SER 269 HB2 0.00 -0.00 -0.13 -0.04 3.95 3.78 1cm7A1 SER 269 HB3 -0.01 0.04 -0.14 -0.04 3.93 3.78 1cm7A1 ALA 270 H -0.06 0.58 0.39 -0.55 8.40 8.76 1cm7A1 ALA 270 HA -0.33 0.28 0.94 -0.75 4.34 4.47 1cm7A1 ALA 270 HB3 -0.16 -0.01 0.04 -0.04 1.41 1.23 1cm7A1 SER 271 H -0.43 0.59 0.33 -0.55 8.46 8.40 1cm7A1 SER 271 HA -0.20 0.30 0.89 -0.75 4.49 4.72 1cm7A1 SER 271 HB2 -0.17 -0.11 0.19 -0.04 3.95 3.83 1cm7A1 SER 271 HB3 -0.13 0.07 0.08 -0.04 3.93 3.91 1cm7A1 LEU 272 H -0.28 0.27 0.12 -0.55 8.37 7.93 1cm7A1 LEU 272 HA -0.18 0.33 0.98 -0.75 4.35 4.72 1cm7A1 LEU 272 HB2 -0.28 -0.13 -0.04 -0.04 1.64 1.15 1cm7A1 LEU 272 HB3 -0.15 0.21 -0.03 -0.04 1.64 1.62 1cm7A1 LEU 272 HG -0.26 -0.14 -0.28 -0.04 1.64 0.93 1cm7A1 LEU 272 HD13 -0.20 0.00 -0.12 -0.04 0.93 0.57 1cm7A1 LEU 272 HD23 -0.03 0.02 -0.28 -0.04 0.89 0.56 1cm7A1 ASN 273 H 0.00 0.65 0.29 -0.55 8.53 8.92 1cm7A1 ASN 273 HA -0.29 0.12 0.82 -0.75 4.76 4.65 1cm7A1 ASN 273 HB2 0.17 -0.10 0.27 -0.04 2.88 3.18 1cm7A1 ASN 273 HB3 0.09 0.16 -0.09 -0.04 2.79 2.91 1cm7A1 ASN 273 HD21 0.04 -0.04 0.05 -0.04 7.03 7.04 1cm7A1 ASN 273 HD22 0.10 0.60 0.13 -0.04 7.74 8.54 1cm7A1 GLU 274 H 0.34 0.20 0.19 -0.55 8.60 8.79 1cm7A1 GLU 274 HA 0.23 0.14 0.35 -0.75 4.29 4.26 1cm7A1 GLU 274 HB2 0.37 -0.04 0.16 -0.04 2.09 2.54 1cm7A1 GLU 274 HB3 0.16 0.03 0.10 -0.04 1.99 2.24 1cm7A1 GLU 274 HG2 0.10 -0.06 0.06 -0.04 2.34 2.40 1cm7A1 GLU 274 HG3 0.12 0.04 0.08 -0.04 2.34 2.54 1cm7A1 GLN 275 H 0.13 -0.00 -0.31 -0.55 8.47 7.74 1cm7A1 GLN 275 HA 0.09 0.18 0.59 -0.75 4.36 4.47 1cm7A1 GLN 275 HB2 0.11 -0.04 0.03 -0.04 2.15 2.20 1cm7A1 GLN 275 HB3 0.09 0.09 0.12 -0.04 2.02 2.27 1cm7A1 GLN 275 HG2 0.06 0.04 -0.01 -0.04 2.40 2.45 1cm7A1 GLN 275 HG3 0.08 -0.14 -0.02 -0.04 2.39 2.27 1cm7A1 GLN 275 HE21 0.01 0.04 0.01 -0.04 6.97 7.00 1cm7A1 GLN 275 HE22 0.06 -0.04 0.03 -0.04 7.69 7.70 1cm7A1 GLY 276 H 0.09 0.31 -0.30 -0.55 8.43 7.99 1cm7A1 GLY 276 HA2 0.08 0.04 0.26 -0.51 4.01 3.88 1cm7A1 GLY 276 HA3 0.10 0.22 0.72 -0.51 4.01 4.54 1cm7A1 PHE 277 H 0.21 -0.10 -0.14 -0.55 8.34 7.76 1cm7A1 PHE 277 HA 0.01 0.36 0.81 -0.75 4.62 5.05 1cm7A1 PHE 277 HB2 -0.01 0.09 0.06 -0.04 3.15 3.24 1cm7A1 PHE 277 HB3 -0.03 -0.16 0.11 -0.04 3.06 2.95 1cm7A1 PHE 277 HD2 -0.13 0.02 -0.26 -0.04 7.28 6.88 1cm7A1 PHE 277 HE2 -0.44 0.04 -0.21 -0.04 7.38 6.73 1cm7A1 PHE 277 HZ -0.78 -0.11 -0.16 -0.04 7.32 6.24 1cm7A1 GLY 278 H -0.57 0.27 0.29 -0.55 8.43 7.87 1cm7A1 GLY 278 HA2 -0.30 0.30 0.94 -0.51 4.01 4.44 1cm7A1 GLY 278 HA3 -0.45 -0.00 0.25 -0.51 4.01 3.30 1cm7A1 LEU 279 H -0.43 0.52 0.33 -0.55 8.37 8.24 1cm7A1 LEU 279 HA -0.21 0.20 0.94 -0.75 4.35 4.52 1cm7A1 LEU 279 HB2 -0.08 -0.00 0.08 -0.04 1.64 1.60 1cm7A1 LEU 279 HB3 -0.13 0.01 0.12 -0.04 1.64 1.59 1cm7A1 LEU 279 HG -0.17 0.00 -0.26 -0.04 1.64 1.17 1cm7A1 LEU 279 HD13 -0.03 0.00 -0.11 -0.04 0.93 0.75 1cm7A1 LEU 279 HD23 -0.15 -0.02 -0.08 -0.04 0.89 0.60 1cm7A1 TYR 280 H 0.10 0.66 0.33 -0.55 8.29 8.82 1cm7A1 TYR 280 HA -0.04 0.26 1.17 -0.75 4.56 5.19 1cm7A1 TYR 280 HB2 -0.04 -0.03 0.18 -0.04 3.06 3.12 1cm7A1 TYR 280 HB3 -0.02 0.07 0.11 -0.04 2.98 3.09 1cm7A1 TYR 280 HD2 -0.08 0.09 -0.08 -0.04 7.15 7.05 1cm7A1 TYR 280 HE2 -0.05 0.02 -0.16 -0.04 6.85 6.62 1cm7A1 GLU 281 H 0.07 0.64 0.37 -0.55 8.60 9.13 1cm7A1 GLU 281 HA 0.11 0.21 0.81 -0.75 4.29 4.67 1cm7A1 GLU 281 HB2 0.11 0.13 -0.01 -0.04 2.09 2.28 1cm7A1 GLU 281 HB3 0.01 -0.11 -0.55 -0.04 1.99 1.30 1cm7A1 GLU 281 HG2 -0.04 -0.06 -0.22 -0.04 2.34 1.99 1cm7A1 GLU 281 HG3 -0.03 0.26 -0.28 -0.04 2.34 2.26 1cm7A1 PRO 282 HA 0.05 0.16 0.65 -0.51 4.44 4.79 1cm7A1 PRO 282 HB2 0.05 -0.09 -0.06 -0.04 2.28 2.14 1cm7A1 PRO 282 HB3 0.05 0.01 -0.03 -0.04 2.02 2.00 1cm7A1 PRO 282 HG2 0.06 -0.05 -0.01 -0.04 2.03 2.00 1cm7A1 PRO 282 HG3 0.05 -0.01 -0.19 -0.04 2.03 1.85 1cm7A1 PRO 282 HD2 0.12 0.24 0.24 -0.04 3.68 4.23 1cm7A1 PRO 282 HD3 0.10 0.25 0.28 -0.04 3.65 4.23 1cm7A1 ALA 283 H 0.04 0.70 0.24 -0.55 8.40 8.83 1cm7A1 ALA 283 HA 0.01 0.09 0.51 -0.75 4.34 4.20 1cm7A1 ALA 283 HB3 0.03 0.02 -0.01 -0.04 1.41 1.41 1cm7A1 GLY 284 H 0.04 0.01 -0.28 -0.55 8.43 7.65 1cm7A1 GLY 284 HA2 0.03 0.06 -0.05 -0.51 4.01 3.54 1cm7A1 GLY 284 HA3 0.04 0.03 0.27 -0.51 4.01 3.83 1cm7A1 GLY 285 H 0.04 0.04 -0.03 -0.55 8.43 7.93 1cm7A1 GLY 285 HA2 0.04 -0.04 0.41 -0.51 4.01 3.90 1cm7A1 GLY 285 HA3 0.03 0.21 0.62 -0.51 4.01 4.36 1cm7A1 SER 286 H 0.05 0.10 0.12 -0.55 8.46 8.18 1cm7A1 SER 286 HA 0.06 0.03 0.52 -0.75 4.49 4.34 1cm7A1 SER 286 HB2 0.07 0.01 0.09 -0.04 3.95 4.07 1cm7A1 SER 286 HB3 0.06 0.13 -0.07 -0.04 3.93 4.02 1cm7A1 ALA 287 H 0.06 -0.11 0.19 -0.55 8.40 7.99 1cm7A1 ALA 287 HA 0.04 0.17 -0.03 -0.75 4.34 3.76 1cm7A1 ALA 287 HB3 0.05 -0.10 0.13 -0.04 1.41 1.45 1cm7A1 PRO 288 HA 0.05 -0.16 0.31 -0.51 4.44 4.14 1cm7A1 PRO 288 HB2 0.03 0.08 0.15 -0.04 2.28 2.50 1cm7A1 PRO 288 HB3 0.06 0.31 0.14 -0.04 2.02 2.49 1cm7A1 PRO 288 HG2 0.05 0.16 0.08 -0.04 2.03 2.28 1cm7A1 PRO 288 HG3 0.07 -0.27 0.09 -0.04 2.03 1.88 1cm7A1 PRO 288 HD2 0.03 0.14 0.17 -0.04 3.68 3.98 1cm7A1 PRO 288 HD3 0.04 0.28 -0.34 -0.04 3.65 3.60 1cm7A1 ASP 289 H 0.02 0.25 0.22 -0.55 8.40 8.35 1cm7A1 ASP 289 HA 0.01 0.08 0.36 -0.75 4.63 4.33 1cm7A1 ASP 289 HB2 0.01 0.04 0.06 -0.04 2.71 2.78 1cm7A1 ASP 289 HB3 0.01 0.01 0.17 -0.04 2.70 2.85 1cm7A1 ILE 290 H 0.02 0.19 -0.60 -0.55 8.25 7.32 1cm7A1 ILE 290 HA 0.02 0.12 0.21 -0.75 4.18 3.77 1cm7A1 ILE 290 HB 0.02 0.21 0.06 -0.04 1.89 2.14 1cm7A1 ILE 290 HG12 0.02 0.05 0.01 -0.04 1.49 1.53 1cm7A1 ILE 290 HG13 0.02 -0.02 -0.03 -0.04 1.21 1.13 1cm7A1 ILE 290 HG23 0.02 -0.06 -0.08 -0.04 0.93 0.78 1cm7A1 ILE 290 HD13 0.01 0.02 -0.07 -0.04 0.88 0.80 1cm7A1 ALA 291 H 0.03 0.49 -0.71 -0.55 8.40 7.66 1cm7A1 ALA 291 HA 0.03 -0.10 -0.09 -0.75 4.34 3.43 1cm7A1 ALA 291 HB3 0.04 -0.00 -0.11 -0.04 1.41 1.30 1cm7A1 GLY 292 H 0.02 0.07 0.05 -0.55 8.43 8.03 1cm7A1 GLY 292 HA2 0.02 -0.03 0.38 -0.51 4.01 3.87 1cm7A1 GLY 292 HA3 0.02 0.18 0.53 -0.51 4.01 4.23 1cm7A1 LYS 293 H 0.01 0.45 -0.56 -0.55 8.42 7.77 1cm7A1 LYS 293 HA 0.01 0.09 0.80 -0.75 4.32 4.46 1cm7A1 LYS 293 HB2 0.01 0.00 -0.07 -0.04 1.87 1.76 1cm7A1 LYS 293 HB3 0.01 0.01 0.08 -0.04 1.79 1.84 1cm7A1 LYS 293 HG2 0.01 0.21 0.05 -0.04 1.46 1.69 1cm7A1 LYS 293 HG3 0.01 -0.02 -0.01 -0.04 1.46 1.40 1cm7A1 LYS 293 HD2 0.01 0.17 -0.02 -0.04 1.69 1.81 1cm7A1 LYS 293 HD3 0.01 0.12 -0.01 -0.04 1.68 1.76 1cm7A1 LYS 293 HE2 0.01 -0.02 -0.00 -0.04 2.99 2.93 1cm7A1 LYS 293 HE3 0.01 -0.05 -0.01 -0.04 2.99 2.89 1cm7A1 ASN 294 H 0.01 0.20 0.04 -0.55 8.53 8.22 1cm7A1 ASN 294 HA 0.01 0.02 0.46 -0.75 4.76 4.49 1cm7A1 ASN 294 HB2 0.00 0.09 0.28 -0.04 2.88 3.21 1cm7A1 ASN 294 HB3 -0.00 -0.37 0.31 -0.04 2.79 2.69 1cm7A1 ASN 294 HD21 0.01 0.04 0.03 -0.04 7.03 7.06 1cm7A1 ASN 294 HD22 0.01 0.08 0.00 -0.04 7.74 7.79 1cm7A1 ILE 295 H 0.01 0.33 0.47 -0.55 8.25 8.50 1cm7A1 ILE 295 HA 0.01 0.09 0.31 -0.75 4.18 3.83 1cm7A1 ILE 295 HB 0.01 0.05 0.15 -0.04 1.89 2.06 1cm7A1 ILE 295 HG12 0.01 -0.01 -0.15 -0.04 1.49 1.30 1cm7A1 ILE 295 HG13 0.01 0.00 -0.06 -0.04 1.21 1.12 1cm7A1 ILE 295 HG23 0.01 0.02 0.04 -0.04 0.93 0.96 1cm7A1 ILE 295 HD13 0.01 -0.01 -0.02 -0.04 0.88 0.82 1cm7A1 ALA 296 H 0.01 -0.04 0.23 -0.55 8.40 8.06 1cm7A1 ALA 296 HA 0.02 0.10 0.63 -0.75 4.34 4.33 1cm7A1 ALA 296 HB3 0.02 -0.01 -0.03 -0.04 1.41 1.35 1cm7A1 ASN 297 H 0.02 0.17 0.12 -0.55 8.53 8.29 1cm7A1 ASN 297 HA 0.00 0.24 0.64 -0.75 4.76 4.90 1cm7A1 ASN 297 HB2 0.02 0.10 -0.01 -0.04 2.88 2.95 1cm7A1 ASN 297 HB3 0.02 0.03 0.12 -0.04 2.79 2.91 1cm7A1 ASN 297 HD21 0.00 0.05 -0.06 -0.04 7.03 6.99 1cm7A1 ASN 297 HD22 0.03 0.07 -0.09 -0.04 7.74 7.70 1cm7A1 PRO 298 HA 0.01 0.10 0.44 -0.51 4.44 4.47 1cm7A1 PRO 298 HB2 -0.01 0.01 0.06 -0.04 2.28 2.30 1cm7A1 PRO 298 HB3 -0.00 0.01 0.08 -0.04 2.02 2.06 1cm7A1 PRO 298 HG2 -0.02 0.06 -0.07 -0.04 2.03 1.96 1cm7A1 PRO 298 HG3 -0.02 0.09 0.03 -0.04 2.03 2.09 1cm7A1 PRO 298 HD2 -0.01 0.13 0.19 -0.04 3.68 3.94 1cm7A1 PRO 298 HD3 -0.01 0.29 0.18 -0.04 3.65 4.07 1cm7A1 ILE 299 H -0.01 0.14 -0.40 -0.55 8.25 7.44 1cm7A1 ILE 299 HA -0.03 0.05 0.03 -0.75 4.18 3.48 1cm7A1 ILE 299 HB -0.02 -0.02 0.07 -0.04 1.89 1.88 1cm7A1 ILE 299 HG12 -0.08 0.04 -0.02 -0.04 1.49 1.39 1cm7A1 ILE 299 HG13 -0.04 -0.08 -0.04 -0.04 1.21 1.01 1cm7A1 ILE 299 HG23 -0.06 0.06 -0.11 -0.04 0.93 0.78 1cm7A1 ILE 299 HD13 -0.06 0.03 -0.04 -0.04 0.88 0.77 1cm7A1 ALA 300 H 0.02 0.13 -0.15 -0.55 8.40 7.86 1cm7A1 ALA 300 HA 0.04 0.22 0.18 -0.75 4.34 4.03 1cm7A1 ALA 300 HB3 0.04 0.00 -0.19 -0.04 1.41 1.22 1cm7A1 GLN 301 H 0.02 0.13 -0.27 -0.55 8.47 7.81 1cm7A1 GLN 301 HA 0.04 0.08 0.54 -0.75 4.36 4.27 1cm7A1 GLN 301 HB2 0.03 -0.09 0.03 -0.04 2.15 2.07 1cm7A1 GLN 301 HB3 0.01 0.16 0.05 -0.04 2.02 2.21 1cm7A1 GLN 301 HG2 0.01 0.01 -0.33 -0.04 2.40 2.05 1cm7A1 GLN 301 HG3 0.01 -0.03 -0.18 -0.04 2.39 2.15 1cm7A1 GLN 301 HE21 0.08 0.46 0.05 -0.04 6.97 7.52 1cm7A1 GLN 301 HE22 0.04 -0.09 -0.03 -0.04 7.69 7.57 1cm7A1 ILE 302 H 0.00 0.60 -0.09 -0.55 8.25 8.21 1cm7A1 ILE 302 HA -0.01 -0.01 0.35 -0.75 4.18 3.76 1cm7A1 ILE 302 HB -0.02 0.09 0.06 -0.04 1.89 1.98 1cm7A1 ILE 302 HG12 -0.02 -0.04 -0.18 -0.04 1.49 1.21 1cm7A1 ILE 302 HG13 -0.01 0.08 -0.10 -0.04 1.21 1.14 1cm7A1 ILE 302 HG23 -0.02 -0.01 -0.07 -0.04 0.93 0.79 1cm7A1 ILE 302 HD13 -0.03 -0.03 -0.18 -0.04 0.88 0.60 1cm7A1 LEU 303 H 0.01 0.58 -0.25 -0.55 8.37 8.17 1cm7A1 LEU 303 HA 0.02 0.01 0.33 -0.75 4.35 3.95 1cm7A1 LEU 303 HB2 0.03 0.22 0.05 -0.04 1.64 1.90 1cm7A1 LEU 303 HB3 0.06 0.02 -0.00 -0.04 1.64 1.68 1cm7A1 LEU 303 HG 0.10 -0.02 -0.01 -0.04 1.64 1.67 1cm7A1 LEU 303 HD13 0.05 -0.02 -0.08 -0.04 0.93 0.84 1cm7A1 LEU 303 HD23 0.11 0.00 -0.07 -0.04 0.89 0.89 1cm7A1 SER 304 H 0.04 0.43 -0.20 -0.55 8.46 8.18 1cm7A1 SER 304 HA 0.10 0.02 0.49 -0.75 4.49 4.35 1cm7A1 SER 304 HB2 0.06 0.12 -0.02 -0.04 3.95 4.06 1cm7A1 SER 304 HB3 0.14 -0.09 -0.19 -0.04 3.93 3.75 1cm7A1 LEU 305 H -0.01 0.42 -0.37 -0.55 8.37 7.86 1cm7A1 LEU 305 HA -0.14 0.04 0.58 -0.75 4.35 4.07 1cm7A1 LEU 305 HB2 -0.04 -0.02 0.06 -0.04 1.64 1.59 1cm7A1 LEU 305 HB3 -0.04 0.25 0.14 -0.04 1.64 1.95 1cm7A1 LEU 305 HG -0.09 -0.01 -0.25 -0.04 1.64 1.25 1cm7A1 LEU 305 HD13 -0.09 -0.02 -0.04 -0.04 0.93 0.74 1cm7A1 LEU 305 HD23 -0.04 0.01 -0.03 -0.04 0.89 0.79 1cm7A1 ALA 306 H -0.05 0.39 -0.09 -0.55 8.40 8.10 1cm7A1 ALA 306 HA -0.11 0.02 0.37 -0.75 4.34 3.87 1cm7A1 ALA 306 HB3 -0.03 0.05 0.10 -0.04 1.41 1.50 1cm7A1 LEU 307 H -0.02 0.55 -0.15 -0.55 8.37 8.20 1cm7A1 LEU 307 HA 0.00 0.01 0.39 -0.75 4.35 4.00 1cm7A1 LEU 307 HB2 0.12 0.14 0.14 -0.04 1.64 2.00 1cm7A1 LEU 307 HB3 0.32 0.04 -0.10 -0.04 1.64 1.87 1cm7A1 LEU 307 HG 0.42 -0.05 -0.07 -0.04 1.64 1.90 1cm7A1 LEU 307 HD13 0.16 0.00 -0.07 -0.04 0.93 0.98 1cm7A1 LEU 307 HD23 0.16 0.00 -0.24 -0.04 0.89 0.77 1cm7A1 LEU 308 H -0.39 0.39 -0.44 -0.55 8.37 7.39 1cm7A1 LEU 308 HA -1.78 -0.02 0.30 -0.75 4.35 2.09 1cm7A1 LEU 308 HB2 -0.67 0.14 0.17 -0.04 1.64 1.25 1cm7A1 LEU 308 HB3 -0.39 0.15 0.12 -0.04 1.64 1.47 1cm7A1 LEU 308 HG -0.61 -0.03 -0.06 -0.04 1.64 0.90 1cm7A1 LEU 308 HD13 -0.15 -0.01 -0.16 -0.04 0.93 0.57 1cm7A1 LEU 308 HD23 -0.25 -0.02 -0.27 -0.04 0.89 0.31 1cm7A1 LEU 309 H -0.28 0.58 -0.21 -0.55 8.37 7.91 1cm7A1 LEU 309 HA -0.28 -0.00 0.33 -0.75 4.35 3.65 1cm7A1 LEU 309 HB2 -0.21 0.13 0.09 -0.04 1.64 1.62 1cm7A1 LEU 309 HB3 -0.24 0.02 -0.05 -0.04 1.64 1.34 1cm7A1 LEU 309 HG -0.19 0.01 -0.06 -0.04 1.64 1.35 1cm7A1 LEU 309 HD13 -0.15 -0.02 -0.21 -0.04 0.93 0.51 1cm7A1 LEU 309 HD23 -0.21 -0.01 -0.07 -0.04 0.89 0.56 1cm7A1 ARG 310 H -0.27 0.54 -0.11 -0.55 8.46 8.07 1cm7A1 ARG 310 HA -0.27 -0.07 0.04 -0.75 4.34 3.28 1cm7A1 ARG 310 HB2 -0.34 0.00 0.02 -0.04 1.90 1.54 1cm7A1 ARG 310 HB3 -0.62 0.08 0.05 -0.04 1.80 1.27 1cm7A1 ARG 310 HG2 -1.49 0.00 -0.29 -0.04 1.67 -0.14 1cm7A1 ARG 310 HG3 -0.42 -0.04 -0.06 -0.04 1.67 1.10 1cm7A1 ARG 310 HD2 -0.44 -0.03 -0.09 -0.04 3.22 2.61 1cm7A1 ARG 310 HD3 -0.25 0.09 -0.04 -0.04 3.22 2.99 1cm7A1 TYR 311 H -0.17 0.42 -0.29 -0.55 8.29 7.70 1cm7A1 TYR 311 HA -0.01 0.15 0.53 -0.75 4.56 4.48 1cm7A1 TYR 311 HB2 0.13 0.13 0.02 -0.04 3.06 3.29 1cm7A1 TYR 311 HB3 0.09 -0.03 -0.10 -0.04 2.98 2.90 1cm7A1 TYR 311 HD2 0.06 0.04 -0.06 -0.04 7.15 7.16 1cm7A1 TYR 311 HE2 0.01 -0.02 -0.08 -0.04 6.85 6.72 1cm7A1 SER 312 H -0.06 0.46 0.12 -0.55 8.46 8.44 1cm7A1 SER 312 HA 0.06 0.32 1.08 -0.75 4.49 5.20 1cm7A1 SER 312 HB2 -0.10 -0.01 0.09 -0.04 3.95 3.88 1cm7A1 SER 312 HB3 -0.02 0.08 0.06 -0.04 3.93 4.01 1cm7A1 LEU 313 H -0.19 0.24 0.06 -0.55 8.37 7.93 1cm7A1 LEU 313 HA -0.33 0.21 0.78 -0.75 4.35 4.25 1cm7A1 LEU 313 HB2 -0.36 -0.01 0.09 -0.04 1.64 1.31 1cm7A1 LEU 313 HB3 -0.71 -0.02 0.10 -0.04 1.64 0.98 1cm7A1 LEU 313 HG -1.06 0.00 -0.04 -0.04 1.64 0.50 1cm7A1 LEU 313 HD13 -0.17 0.05 -0.37 -0.04 0.93 0.40 1cm7A1 LEU 313 HD23 -0.29 -0.02 -0.14 -0.04 0.89 0.39 1cm7A1 ASP 314 H -0.10 0.09 -0.51 -0.55 8.40 7.33 1cm7A1 ASP 314 HA -0.10 0.22 0.19 -0.75 4.63 4.18 1cm7A1 ASP 314 HB2 -0.01 0.01 -0.18 -0.04 2.71 2.49 1cm7A1 ASP 314 HB3 -0.01 -0.00 0.21 -0.04 2.70 2.85 1cm7A1 ALA 315 H -0.21 0.63 -0.41 -0.55 8.40 7.86 1cm7A1 ALA 315 HA -0.15 0.24 0.76 -0.75 4.34 4.44 1cm7A1 ALA 315 HB3 -0.25 -0.02 0.01 -0.04 1.41 1.11 1cm7A1 ASP 316 H -0.12 0.37 -0.09 -0.55 8.40 8.01 1cm7A1 ASP 316 HA -0.18 0.04 0.16 -0.75 4.63 3.90 1cm7A1 ASP 316 HB2 -0.10 0.10 0.07 -0.04 2.71 2.74 1cm7A1 ASP 316 HB3 -0.07 -0.00 0.09 -0.04 2.70 2.68 1cm7A1 ASP 317 H -0.13 0.18 -0.09 -0.55 8.40 7.82 1cm7A1 ASP 317 HA -0.06 0.07 0.37 -0.75 4.63 4.25 1cm7A1 ASP 317 HB2 0.05 0.04 0.02 -0.04 2.71 2.78 1cm7A1 ASP 317 HB3 -0.02 0.03 0.09 -0.04 2.70 2.76 1cm7A1 ALA 318 H -0.44 0.18 -0.37 -0.55 8.40 7.22 1cm7A1 ALA 318 HA -0.94 0.08 0.38 -0.75 4.34 3.11 1cm7A1 ALA 318 HB3 -0.60 0.05 0.01 -0.04 1.41 0.83 1cm7A1 ALA 319 H -0.22 0.37 -0.35 -0.55 8.40 7.66 1cm7A1 ALA 319 HA -0.12 -0.01 0.42 -0.75 4.34 3.87 1cm7A1 ALA 319 HB3 -0.16 0.03 0.08 -0.04 1.41 1.31 1cm7A1 CYS 320 H -0.09 0.55 -0.04 -0.55 8.50 8.37 1cm7A1 CYS 320 HA -0.01 -0.01 0.38 -0.75 4.58 4.19 1cm7A1 CYS 320 HB2 -0.01 0.14 0.11 -0.04 2.97 3.16 1cm7A1 CYS 320 HB3 0.01 -0.05 0.01 -0.04 2.97 2.89 1cm7A1 ALA 321 H -0.01 0.42 -0.30 -0.55 8.40 7.96 1cm7A1 ALA 321 HA 0.07 0.03 0.40 -0.75 4.34 4.08 1cm7A1 ALA 321 HB3 0.21 0.07 0.10 -0.04 1.41 1.75 1cm7A1 ILE 322 H 0.00 0.41 -0.22 -0.55 8.25 7.89 1cm7A1 ILE 322 HA 0.04 0.04 0.52 -0.75 4.18 4.02 1cm7A1 ILE 322 HB -0.02 0.14 0.08 -0.04 1.89 2.06 1cm7A1 ILE 322 HG12 0.01 -0.05 -0.02 -0.04 1.49 1.38 1cm7A1 ILE 322 HG13 -0.02 0.28 0.07 -0.04 1.21 1.50 1cm7A1 ILE 322 HG23 -0.01 -0.01 -0.12 -0.04 0.93 0.75 1cm7A1 ILE 322 HD13 -0.04 -0.02 -0.10 -0.04 0.88 0.67 1cm7A1 GLU 323 H 0.02 0.46 -0.14 -0.55 8.60 8.39 1cm7A1 GLU 323 HA 0.06 -0.02 0.42 -0.75 4.29 4.00 1cm7A1 GLU 323 HB2 0.04 0.11 0.25 -0.04 2.09 2.45 1cm7A1 GLU 323 HB3 0.09 -0.02 0.02 -0.04 1.99 2.05 1cm7A1 GLU 323 HG2 0.15 -0.04 0.00 -0.04 2.34 2.41 1cm7A1 GLU 323 HG3 0.08 -0.06 0.01 -0.04 2.34 2.33 1cm7A1 ARG 324 H 0.04 0.71 -0.10 -0.55 8.46 8.55 1cm7A1 ARG 324 HA 0.05 -0.01 0.32 -0.75 4.34 3.95 1cm7A1 ARG 324 HB2 0.03 0.14 0.02 -0.04 1.90 2.04 1cm7A1 ARG 324 HB3 0.01 -0.04 -0.01 -0.04 1.80 1.73 1cm7A1 ARG 324 HG2 0.03 -0.07 -0.01 -0.04 1.67 1.58 1cm7A1 ARG 324 HG3 0.03 0.24 0.03 -0.04 1.67 1.93 1cm7A1 ARG 324 HD2 0.01 -0.04 -0.03 -0.04 3.22 3.13 1cm7A1 ARG 324 HD3 0.02 -0.02 -0.05 -0.04 3.22 3.13 1cm7A1 ALA 325 H 0.05 0.34 -0.38 -0.55 8.40 7.87 1cm7A1 ALA 325 HA 0.12 0.08 0.67 -0.75 4.34 4.46 1cm7A1 ALA 325 HB3 0.11 0.05 0.10 -0.04 1.41 1.64 1cm7A1 ILE 326 H -0.00 0.56 -0.16 -0.55 8.25 8.10 1cm7A1 ILE 326 HA -0.06 -0.00 0.41 -0.75 4.18 3.77 1cm7A1 ILE 326 HB -0.17 0.19 0.15 -0.04 1.89 2.02 1cm7A1 ILE 326 HG12 -0.04 0.20 0.02 -0.04 1.49 1.63 1cm7A1 ILE 326 HG13 -0.08 -0.03 -0.06 -0.04 1.21 0.99 1cm7A1 ILE 326 HG23 -0.46 -0.02 -0.18 -0.04 0.93 0.23 1cm7A1 ILE 326 HD13 -0.07 -0.04 -0.05 -0.04 0.88 0.67 1cm7A1 ASN 327 H -0.03 0.63 0.05 -0.55 8.53 8.64 1cm7A1 ASN 327 HA -0.01 0.03 0.58 -0.75 4.76 4.62 1cm7A1 ASN 327 HB2 0.25 0.02 0.12 -0.04 2.88 3.23 1cm7A1 ASN 327 HB3 0.07 0.06 0.17 -0.04 2.79 3.04 1cm7A1 ASN 327 HD21 0.06 -0.04 0.08 -0.04 7.03 7.09 1cm7A1 ASN 327 HD22 0.25 -0.05 0.16 -0.04 7.74 8.06 1cm7A1 ARG 328 H 0.02 0.32 -0.52 -0.55 8.46 7.73 1cm7A1 ARG 328 HA -0.02 0.03 0.31 -0.75 4.34 3.91 1cm7A1 ARG 328 HB2 -0.09 0.16 0.14 -0.04 1.90 2.07 1cm7A1 ARG 328 HB3 -0.02 0.12 0.12 -0.04 1.80 1.98 1cm7A1 ARG 328 HG2 -0.47 -0.04 -0.15 -0.04 1.67 0.98 1cm7A1 ARG 328 HG3 -0.13 -0.06 0.02 -0.04 1.67 1.45 1cm7A1 ARG 328 HD2 -0.20 -0.03 -0.01 -0.04 3.22 2.94 1cm7A1 ARG 328 HD3 -0.25 0.09 0.00 -0.04 3.22 3.02 1cm7A1 ALA 329 H 0.13 0.48 -0.06 -0.55 8.40 8.40 1cm7A1 ALA 329 HA 0.19 0.03 0.56 -0.75 4.34 4.37 1cm7A1 ALA 329 HB3 0.02 0.02 0.07 -0.04 1.41 1.47 1cm7A1 LEU 330 H -0.03 0.44 -0.30 -0.55 8.37 7.93 1cm7A1 LEU 330 HA -0.05 0.08 0.57 -0.75 4.35 4.19 1cm7A1 LEU 330 HB2 -0.10 0.19 0.20 -0.04 1.64 1.89 1cm7A1 LEU 330 HB3 -0.04 0.10 -0.03 -0.04 1.64 1.62 1cm7A1 LEU 330 HG -0.08 -0.07 -0.04 -0.04 1.64 1.42 1cm7A1 LEU 330 HD13 -0.09 0.00 -0.05 -0.04 0.93 0.75 1cm7A1 LEU 330 HD23 -0.30 -0.00 -0.07 -0.04 0.89 0.48 1cm7A1 GLU 331 H -0.01 0.51 -0.06 -0.55 8.60 8.50 1cm7A1 GLU 331 HA -0.02 -0.03 0.45 -0.75 4.29 3.94 1cm7A1 GLU 331 HB2 -0.01 0.11 0.07 -0.04 2.09 2.23 1cm7A1 GLU 331 HB3 -0.01 -0.07 -0.09 -0.04 1.99 1.78 1cm7A1 GLU 331 HG2 -0.01 -0.16 -0.12 -0.04 2.34 2.01 1cm7A1 GLU 331 HG3 0.01 0.26 -0.03 -0.04 2.34 2.53 1cm7A1 GLU 332 H 0.01 0.26 -0.42 -0.55 8.60 7.91 1cm7A1 GLU 332 HA 0.00 0.11 0.74 -0.75 4.29 4.39 1cm7A1 GLU 332 HB2 0.05 0.05 0.11 -0.04 2.09 2.26 1cm7A1 GLU 332 HB3 0.03 -0.06 0.14 -0.04 1.99 2.06 1cm7A1 GLU 332 HG2 0.01 -0.04 0.02 -0.04 2.34 2.29 1cm7A1 GLU 332 HG3 0.02 0.31 0.08 -0.04 2.34 2.71 1cm7A1 GLY 333 H -0.02 0.29 -0.56 -0.55 8.43 7.59 1cm7A1 GLY 333 HA2 -0.04 0.08 0.27 -0.51 4.01 3.80 1cm7A1 GLY 333 HA3 -0.02 0.06 0.56 -0.51 4.01 4.11 1cm7A1 ILE 334 H -0.00 0.44 -0.03 -0.55 8.25 8.11 1cm7A1 ILE 334 HA -0.01 -0.01 0.22 -0.75 4.18 3.63 1cm7A1 ILE 334 HB -0.01 0.00 0.12 -0.04 1.89 1.96 1cm7A1 ILE 334 HG12 0.01 0.02 -0.07 -0.04 1.49 1.41 1cm7A1 ILE 334 HG13 0.03 0.03 -0.01 -0.04 1.21 1.21 1cm7A1 ILE 334 HG23 -0.04 -0.02 -0.18 -0.04 0.93 0.66 1cm7A1 ILE 334 HD13 0.05 -0.04 0.03 -0.04 0.88 0.88 1cm7A1 ARG 335 H -0.00 0.12 0.21 -0.55 8.46 8.22 1cm7A1 ARG 335 HA -0.00 0.19 0.82 -0.75 4.34 4.59 1cm7A1 ARG 335 HB2 0.02 0.16 0.04 -0.04 1.90 2.08 1cm7A1 ARG 335 HB3 0.03 -0.71 0.03 -0.04 1.80 1.11 1cm7A1 ARG 335 HG2 0.04 -0.10 -0.30 -0.04 1.67 1.27 1cm7A1 ARG 335 HG3 -0.01 0.07 -0.38 -0.04 1.67 1.31 1cm7A1 ARG 335 HD2 0.01 0.10 0.16 -0.04 3.22 3.45 1cm7A1 ARG 335 HD3 0.03 0.57 0.51 -0.04 3.22 4.29 1cm7A1 THR 336 H 0.01 0.12 0.02 -0.55 8.28 7.88 1cm7A1 THR 336 HA 0.00 0.60 0.70 -0.75 4.39 4.94 1cm7A1 THR 336 HB 0.01 0.11 -0.08 -0.04 4.32 4.31 1cm7A1 THR 336 HG23 -0.00 -0.02 -0.22 -0.04 1.22 0.94 1cm7A1 GLY 337 H 0.03 -0.09 -0.09 -0.55 8.43 7.73 1cm7A1 GLY 337 HA2 0.03 -0.02 0.40 -0.51 4.01 3.91 1cm7A1 GLY 337 HA3 0.03 0.16 0.38 -0.51 4.01 4.07 1cm7A1 ASP 338 H 0.06 0.19 -0.18 -0.55 8.40 7.92 1cm7A1 ASP 338 HA 0.13 0.22 0.62 -0.75 4.63 4.85 1cm7A1 ASP 338 HB2 0.12 0.08 0.01 -0.04 2.71 2.88 1cm7A1 ASP 338 HB3 0.21 0.04 0.11 -0.04 2.70 3.02 1cm7A1 LEU 339 HA 0.10 -0.11 -0.21 -0.75 4.35 3.38 1cm7A1 LEU 339 HB2 0.04 0.26 0.34 -0.04 1.64 2.24 1cm7A1 LEU 339 HB3 0.02 0.03 0.32 -0.04 1.64 1.97 1cm7A1 LEU 339 HG 0.12 0.03 -0.10 -0.04 1.64 1.64 1cm7A1 LEU 339 HD13 0.01 0.01 0.02 -0.04 0.93 0.92 1cm7A1 LEU 339 HD23 0.06 -0.10 -0.20 -0.04 0.89 0.61 1cm7A1 ALA 340 H 0.05 0.16 -0.01 -0.55 8.40 8.05 1cm7A1 ALA 340 HA 0.02 0.23 0.08 -0.75 4.34 3.92 1cm7A1 ALA 340 HB3 0.02 -0.00 0.10 -0.04 1.41 1.49 1cm7A1 ARG 341 H 0.03 0.36 -0.42 -0.55 8.46 7.87 1cm7A1 ARG 341 HA 0.02 0.06 0.39 -0.75 4.34 4.06 1cm7A1 GLY 342 H 0.01 0.20 -0.18 -0.55 8.43 7.93 1cm7A1 GLY 342 HA2 0.01 0.15 0.64 -0.51 4.01 4.29 1cm7A1 GLY 342 HA3 0.01 0.03 0.34 -0.51 4.01 3.87 1cm7A1 ALA 343 H 0.01 0.23 -0.58 -0.55 8.40 7.52 1cm7A1 ALA 343 HA 0.01 0.00 0.26 -0.75 4.34 3.86 1cm7A1 ALA 343 HB3 0.01 0.10 -0.00 -0.04 1.41 1.47 1cm7A1 ALA 344 H 0.01 0.14 0.02 -0.55 8.40 8.03 1cm7A1 ALA 344 HA 0.02 0.12 0.36 -0.75 4.34 4.08 1cm7A1 ALA 344 HB3 0.02 -0.03 -0.26 -0.04 1.41 1.09 1cm7A1 ALA 345 H 0.01 0.38 0.29 -0.55 8.40 8.52 1cm7A1 ALA 345 HA 0.00 -0.01 0.04 -0.75 4.34 3.62 1cm7A1 ALA 345 HB3 -0.00 -0.01 0.15 -0.04 1.41 1.51 1cm7A1 VAL 346 H -0.00 0.80 -0.23 -0.55 8.24 8.26 1cm7A1 VAL 346 HA -0.01 -0.11 0.55 -0.75 4.13 3.80 1cm7A1 VAL 346 HB -0.02 -0.05 -0.81 -0.04 2.12 1.20 1cm7A1 VAL 346 HG13 -0.02 0.10 -0.24 -0.04 0.97 0.76 1cm7A1 VAL 346 HG23 -0.04 -0.05 -0.11 -0.04 0.95 0.70 1cm7A1 SER 347 H -0.01 0.02 0.16 -0.55 8.46 8.09 1cm7A1 SER 347 HA -0.00 0.30 0.67 -0.75 4.49 4.70 1cm7A1 SER 347 HB2 -0.00 0.05 0.30 -0.04 3.95 4.26 1cm7A1 SER 347 HB3 -0.00 0.11 0.21 -0.04 3.93 4.21 1cm7A1 THR 348 H -0.00 0.24 0.02 -0.55 8.28 7.99 1cm7A1 THR 348 HA -0.01 0.21 0.51 -0.75 4.39 4.35 1cm7A1 THR 348 HB -0.00 -0.11 0.15 -0.04 4.32 4.32 1cm7A1 THR 348 HG23 -0.00 0.00 -0.11 -0.04 1.22 1.08 1cm7A1 ASP 349 H -0.01 0.10 0.02 -0.55 8.40 7.96 1cm7A1 ASP 349 HA -0.02 0.11 0.40 -0.75 4.63 4.37 1cm7A1 ASP 349 HB2 -0.01 -0.03 0.08 -0.04 2.71 2.70 1cm7A1 ASP 349 HB3 -0.01 0.09 -0.05 -0.04 2.70 2.68 1cm7A1 GLU 350 H -0.02 0.03 -0.26 -0.55 8.60 7.80 1cm7A1 GLU 350 HA -0.04 0.10 0.57 -0.75 4.29 4.18 1cm7A1 GLU 350 HB2 -0.02 -0.14 0.13 -0.04 2.09 2.01 1cm7A1 GLU 350 HB3 -0.04 0.15 -0.10 -0.04 1.99 1.97 1cm7A1 GLU 350 HG2 -0.03 0.11 0.05 -0.04 2.34 2.43 1cm7A1 GLU 350 HG3 -0.02 -0.01 0.05 -0.04 2.34 2.31 1cm7A1 MET 351 H -0.03 0.49 -0.27 -0.55 8.47 8.10 1cm7A1 MET 351 HA -0.07 0.08 0.50 -0.75 4.52 4.28 1cm7A1 MET 351 HB2 -0.03 0.15 0.01 -0.04 2.15 2.23 1cm7A1 MET 351 HB3 -0.03 0.07 0.15 -0.04 2.03 2.18 1cm7A1 MET 351 HG2 -0.03 -0.08 -0.06 -0.04 2.63 2.41 1cm7A1 MET 351 HG3 -0.05 -0.06 -0.24 -0.04 2.56 2.17 1cm7A1 MET 351 HE3 -0.04 -0.01 -0.15 -0.04 2.10 1.87 1cm7A1 GLY 352 H -0.04 0.54 -0.14 -0.55 8.43 8.25 1cm7A1 GLY 352 HA2 -0.04 0.01 0.43 -0.51 4.01 3.90 1cm7A1 GLY 352 HA3 -0.03 0.01 0.31 -0.51 4.01 3.79 1cm7A1 ASP 353 H -0.06 0.28 -0.45 -0.55 8.40 7.62 1cm7A1 ASP 353 HA -0.05 0.05 0.51 -0.75 4.63 4.38 1cm7A1 ASP 353 HB2 -0.06 0.14 0.20 -0.04 2.71 2.95 1cm7A1 ASP 353 HB3 -0.06 -0.02 -0.14 -0.04 2.70 2.44 1cm7A1 ILE 354 H -0.13 0.56 -0.01 -0.55 8.25 8.12 1cm7A1 ILE 354 HA -0.29 0.05 0.60 -0.75 4.18 3.78 1cm7A1 ILE 354 HB -0.25 0.06 0.15 -0.04 1.89 1.81 1cm7A1 ILE 354 HG12 -0.14 -0.06 0.04 -0.04 1.49 1.29 1cm7A1 ILE 354 HG13 -0.12 0.33 0.19 -0.04 1.21 1.57 1cm7A1 ILE 354 HG23 -0.65 -0.00 -0.02 -0.04 0.93 0.22 1cm7A1 ILE 354 HD13 -0.09 -0.02 -0.06 -0.04 0.88 0.67 1cm7A1 ILE 355 H -0.16 0.46 -0.15 -0.55 8.25 7.85 1cm7A1 ILE 355 HA -0.14 0.09 0.22 -0.75 4.18 3.59 1cm7A1 ILE 355 HB -0.05 0.01 -0.01 -0.04 1.89 1.80 1cm7A1 ILE 355 HG12 -0.09 0.47 0.12 -0.04 1.49 1.95 1cm7A1 ILE 355 HG13 -0.06 -0.09 -0.07 -0.04 1.21 0.95 1cm7A1 ILE 355 HG23 -0.00 -0.01 -0.10 -0.04 0.93 0.78 1cm7A1 ILE 355 HD13 -0.11 -0.03 -0.10 -0.04 0.88 0.60 1cm7A1 ALA 356 H -0.06 0.34 -0.26 -0.55 8.40 7.86 1cm7A1 ALA 356 HA 0.01 0.01 0.39 -0.75 4.34 3.99 1cm7A1 ALA 356 HB3 -0.02 0.02 0.02 -0.04 1.41 1.39 1cm7A1 ARG 357 H -0.06 0.46 -0.35 -0.55 8.46 7.95 1cm7A1 ARG 357 HA 0.02 0.03 0.34 -0.75 4.34 3.97 1cm7A1 ARG 357 HB2 -0.08 0.38 0.24 -0.04 1.90 2.40 1cm7A1 ARG 357 HB3 0.01 -0.03 -0.07 -0.04 1.80 1.66 1cm7A1 ARG 357 HG2 0.01 -0.01 0.03 -0.04 1.67 1.67 1cm7A1 ARG 357 HG3 -0.01 -0.01 -0.00 -0.04 1.67 1.60 1cm7A1 ARG 357 HD2 0.08 -0.19 -0.11 -0.04 3.22 2.97 1cm7A1 ARG 357 HD3 0.03 0.02 -0.07 -0.04 3.22 3.16 1cm7A1 TYR 358 H 0.04 0.45 -0.19 -0.55 8.29 8.04 1cm7A1 TYR 358 HA -0.01 0.10 0.60 -0.75 4.56 4.49 1cm7A1 TYR 358 HB2 -0.01 0.07 0.21 -0.04 3.06 3.29 1cm7A1 TYR 358 HB3 -0.01 -0.02 0.05 -0.04 2.98 2.96 1cm7A1 TYR 358 HD2 -0.02 0.03 -0.01 -0.04 7.15 7.11 1cm7A1 TYR 358 HE2 -0.02 -0.05 -0.09 -0.04 6.85 6.65 1cm7A1 VAL 359 H 0.10 0.54 -0.03 -0.55 8.24 8.30 1cm7A1 VAL 359 HA 0.08 0.07 0.42 -0.75 4.13 3.96 1cm7A1 VAL 359 HB 0.06 0.06 0.14 -0.04 2.12 2.34 1cm7A1 VAL 359 HG13 0.12 -0.01 -0.22 -0.04 0.97 0.82 1cm7A1 VAL 359 HG23 0.07 0.03 -0.06 -0.04 0.95 0.95 1cm7A1 ALA 360 H 0.05 0.41 -0.18 -0.55 8.40 8.13 1cm7A1 ALA 360 HA -0.01 0.07 0.25 -0.75 4.34 3.89 1cm7A1 ALA 360 HB3 0.01 -0.02 0.13 -0.04 1.41 1.49 1cm7A1 GLU 361 H 0.02 0.38 -1.35 -0.55 8.60 7.11 1cm7A1 GLU 361 HA 0.01 0.22 0.22 -0.75 4.29 3.98 1cm7A1 GLU 361 HB2 -0.03 -0.01 0.24 -0.04 2.09 2.26 1cm7A1 GLU 361 HB3 -0.02 -0.10 0.16 -0.04 1.99 1.99 1cm7A1 GLU 361 HG2 -0.02 0.23 0.05 -0.04 2.34 2.56 1cm7A1 GLU 361 HG3 -0.04 -0.10 0.04 -0.04 2.34 2.20 1cm7A1 GLY 362 H 0.07 0.48 -0.06 -0.55 8.43 8.37 1cm7A1 GLY 362 HA2 0.02 0.10 0.65 -0.51 4.01 4.27 1cm7A1 GLY 362 HA3 0.04 -0.10 0.19 -0.51 4.01 3.64 1cm7A1 VAL 363 H 0.17 0.07 -0.11 -0.55 8.24 7.82 1cm7A1 VAL 363 HA 0.02 0.22 0.30 -0.75 4.13 3.92 1cm7A1 VAL 363 HB 0.62 0.01 0.01 -0.04 2.12 2.71 1cm7A1 VAL 363 HG13 0.06 0.01 0.01 -0.04 0.97 1.01 1cm7A1 VAL 363 HG23 0.13 0.00 -0.04 -0.04 0.95 1.00