============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 57 rings ring int. center anis. iso. PHE 7 1.000 26.941 25.534 49.821 -99.200 -91.000 TYR 9 0.840 29.439 29.738 50.855 -99.200 -91.000 TYR 12 0.840 37.316 19.731 50.103 -99.200 -91.000 HIS 13 0.900 28.911 21.673 50.370 -99.200 -91.000 TYR 19 0.840 25.071 19.955 38.613 -99.200 -91.000 PHE 21 1.000 26.321 28.169 45.776 -99.200 -91.000 HIS 29 0.900 22.159 37.235 45.473 -99.200 -91.000 TYR 42 0.840 30.620 8.490 27.324 -99.200 -91.000 TYR 48 0.840 22.727 22.859 35.258 -99.200 -91.000 PHE 52 1.000 28.102 34.977 38.997 -99.200 -91.000 TRP 63 1.040 35.702 29.628 30.542 -99.200 -91.000 TRP6 63 1.020 33.528 28.873 30.176 -99.200 -91.000 HIS 69 0.900 43.129 17.718 34.625 -99.200 -91.000 TRP 73 1.040 36.988 16.323 45.247 -99.200 -91.000 TRP6 73 1.020 36.070 15.090 47.036 -99.200 -91.000 TRP 81 1.040 34.685 32.006 49.743 -99.200 -91.000 TRP6 81 1.020 35.843 33.858 48.839 -99.200 -91.000 PHE 82 1.000 37.251 32.450 42.805 -99.200 -91.000 PHE 86 1.000 32.580 35.931 40.601 -99.200 -91.000 TYR 90 0.840 27.110 45.204 40.725 -99.200 -91.000 PHE 96 1.000 32.956 41.385 41.285 -99.200 -91.000 PHE 106 1.000 29.144 34.338 30.060 -99.200 -91.000 PHE 116 1.000 32.548 17.144 42.440 -99.200 -91.000 PHE 118 1.000 34.934 6.173 38.875 -99.200 -91.000 HIS 120 0.900 31.913 13.963 46.002 -99.200 -91.000 TRP 126 1.040 38.054 9.336 36.779 -99.200 -91.000 TRP6 126 1.020 39.091 7.446 35.894 -99.200 -91.000 TRP 147 1.040 40.710 21.937 26.000 -99.200 -91.000 TRP6 147 1.020 39.042 23.590 26.194 -99.200 -91.000 PHE 151 1.000 44.047 15.667 19.767 -99.200 -91.000 TYR 165 0.840 43.123 8.284 25.002 -99.200 -91.000 HIS 166 0.900 46.156 11.972 21.831 -99.200 -91.000 TYR 169 0.840 36.951 12.965 17.327 -99.200 -91.000 PHE 182 1.000 28.527 30.161 26.641 -99.200 -91.000 HIS 186 0.900 30.313 36.067 24.773 -99.200 -91.000 PHE 189 1.000 33.455 34.063 26.953 -99.200 -91.000 PHE 192 1.000 39.188 29.400 28.233 -99.200 -91.000 HIS 196 0.900 43.733 22.431 35.388 -99.200 -91.000 TYR 198 0.840 49.804 18.521 44.203 -99.200 -91.000 TYR 204 0.840 53.507 33.559 30.923 -99.200 -91.000 TYR 206 0.840 51.686 29.091 22.215 -99.200 -91.000 TYR 208 0.840 51.207 24.318 20.941 -99.200 -91.000 TYR 234 0.840 44.890 34.202 54.622 -99.200 -91.000 TYR 238 0.840 49.640 30.563 43.719 -99.200 -91.000 TYR 240 0.840 55.710 35.526 37.914 -99.200 -91.000 TYR 248 0.840 53.234 18.538 33.899 -99.200 -91.000 TRP 257 1.040 40.675 26.253 21.310 -99.200 -91.000 TRP6 257 1.020 38.962 27.383 22.463 -99.200 -91.000 TYR 259 0.840 48.436 33.892 23.238 -99.200 -91.000 TYR 265 0.840 44.789 40.734 28.968 -99.200 -91.000 PHE 267 1.000 47.343 35.405 32.801 -99.200 -91.000 PHE 269 1.000 45.046 32.333 39.245 -99.200 -91.000 TYR 277 0.840 47.718 18.375 54.594 -99.200 -91.000 PHE 279 1.000 45.985 15.469 42.708 -99.200 -91.000 TRP 294 1.040 37.784 38.178 45.196 -99.200 -91.000 TRP6 294 1.020 37.022 38.131 43.023 -99.200 -91.000 HIS 303 0.900 46.885 44.223 32.279 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 7cpaA1 ALA 1 HA 0.17 -0.03 0.03 -0.75 4.34 3.75 7cpaA1 ALA 1 HB3 0.04 -0.01 0.01 -0.04 1.41 1.41 7cpaA1 ARG 2 H 0.05 0.18 0.15 -0.55 8.46 8.29 7cpaA1 ARG 2 HA 0.02 0.17 0.69 -0.75 4.34 4.47 7cpaA1 ARG 2 HB2 0.01 0.00 0.14 -0.04 1.90 2.01 7cpaA1 ARG 2 HB3 0.02 0.02 -0.07 -0.04 1.80 1.73 7cpaA1 ARG 2 HG2 0.02 0.00 -0.02 -0.04 1.67 1.63 7cpaA1 ARG 2 HG3 0.03 -0.03 -0.06 -0.04 1.67 1.57 7cpaA1 ARG 2 HD2 0.01 -0.01 -0.09 -0.04 3.22 3.09 7cpaA1 ARG 2 HD3 0.01 0.01 -0.20 -0.04 3.22 3.00 7cpaA1 SER 3 H 0.06 0.17 0.16 -0.55 8.46 8.30 7cpaA1 SER 3 HA -0.00 0.19 0.46 -0.75 4.49 4.39 7cpaA1 SER 3 HB2 0.02 -0.01 0.10 -0.04 3.95 4.02 7cpaA1 SER 3 HB3 0.01 0.27 -0.08 -0.04 3.93 4.09 7cpaA1 THR 4 H 0.00 0.30 0.09 -0.55 8.28 8.13 7cpaA1 THR 4 HA 0.14 0.08 0.46 -0.75 4.39 4.32 7cpaA1 THR 4 HB 0.13 0.04 0.09 -0.04 4.32 4.53 7cpaA1 THR 4 HG23 -0.33 0.01 -0.06 -0.04 1.22 0.80 7cpaA1 ASN 5 H 0.09 -0.04 -0.52 -0.55 8.53 7.51 7cpaA1 ASN 5 HA 0.16 0.16 0.50 -0.75 4.76 4.82 7cpaA1 ASN 5 HB2 0.06 -0.07 0.02 -0.04 2.88 2.84 7cpaA1 ASN 5 HB3 0.07 0.05 -0.12 -0.04 2.79 2.75 7cpaA1 ASN 5 HD21 0.03 0.03 0.00 -0.04 7.03 7.05 7cpaA1 ASN 5 HD22 0.07 0.01 0.07 -0.04 7.74 7.85 7cpaA1 THR 6 H 0.12 0.17 -0.21 -0.55 8.28 7.82 7cpaA1 THR 6 HA 0.10 0.21 0.89 -0.75 4.39 4.84 7cpaA1 THR 6 HB 0.05 0.00 0.11 -0.04 4.32 4.44 7cpaA1 THR 6 HG23 0.05 -0.02 -0.13 -0.04 1.22 1.08 7cpaA1 PHE 7 H 0.26 0.04 -0.35 -0.55 8.34 7.73 7cpaA1 PHE 7 HA -0.09 0.06 0.41 -0.75 4.62 4.25 7cpaA1 PHE 7 HB2 -0.01 -0.02 0.07 -0.04 3.15 3.15 7cpaA1 PHE 7 HB3 -0.25 0.14 0.04 -0.04 3.06 2.94 7cpaA1 PHE 7 HD2 -0.87 -0.01 -0.25 -0.04 7.28 6.10 7cpaA1 PHE 7 HE2 -0.50 0.01 -0.11 -0.04 7.38 6.74 7cpaA1 PHE 7 HZ -0.89 -0.08 -0.11 -0.04 7.32 6.20 7cpaA1 ASN 8 H -0.69 0.11 0.08 -0.55 8.53 7.48 7cpaA1 ASN 8 HA -0.03 0.16 0.81 -0.75 4.76 4.94 7cpaA1 ASN 8 HB2 -0.10 0.12 0.03 -0.04 2.88 2.89 7cpaA1 ASN 8 HB3 -0.19 -0.03 0.17 -0.04 2.79 2.70 7cpaA1 ASN 8 HD21 -0.05 0.01 -0.10 -0.04 7.03 6.84 7cpaA1 ASN 8 HD22 -0.07 0.03 -0.03 -0.04 7.74 7.63 7cpaA1 TYR 9 H 0.23 0.32 0.08 -0.55 8.29 8.37 7cpaA1 TYR 9 HA 0.25 0.12 0.45 -0.75 4.56 4.62 7cpaA1 TYR 9 HB2 0.23 0.01 0.03 -0.04 3.06 3.29 7cpaA1 TYR 9 HB3 0.37 -0.03 0.03 -0.04 2.98 3.32 7cpaA1 TYR 9 HD2 0.17 -0.01 -0.06 -0.04 7.15 7.20 7cpaA1 TYR 9 HE2 -0.02 0.13 -0.05 -0.04 6.85 6.87 7cpaA1 ALA 10 H 0.08 0.06 -0.33 -0.55 8.40 7.65 7cpaA1 ALA 10 HA -0.02 0.12 0.67 -0.75 4.34 4.35 7cpaA1 ALA 10 HB3 0.01 0.01 0.08 -0.04 1.41 1.46 7cpaA1 THR 11 H -0.10 0.38 -0.42 -0.55 8.28 7.59 7cpaA1 THR 11 HA -0.23 0.07 0.73 -0.75 4.39 4.20 7cpaA1 THR 11 HB -0.14 -0.03 -0.28 -0.04 4.32 3.83 7cpaA1 THR 11 HG23 -0.41 0.06 -0.17 -0.04 1.22 0.66 7cpaA1 TYR 12 H -0.04 0.11 0.14 -0.55 8.29 7.95 7cpaA1 TYR 12 HA -0.05 0.13 0.83 -0.75 4.56 4.72 7cpaA1 TYR 12 HB2 0.09 -0.01 0.09 -0.04 3.06 3.19 7cpaA1 TYR 12 HB3 -0.08 0.06 0.00 -0.04 2.98 2.92 7cpaA1 TYR 12 HD2 0.15 -0.00 0.02 -0.04 7.15 7.27 7cpaA1 TYR 12 HE2 0.15 -0.02 -0.25 -0.04 6.85 6.69 7cpaA1 HIS 13 H 0.11 0.13 0.14 -0.55 8.41 8.24 7cpaA1 HIS 13 HA -0.03 0.20 0.85 -0.75 4.63 4.90 7cpaA1 HIS 13 HB2 0.05 0.00 -0.00 -0.04 3.26 3.28 7cpaA1 HIS 13 HB3 0.03 -0.08 0.03 -0.04 3.20 3.13 7cpaA1 HIS 13 HD2 -0.05 0.05 -0.04 -0.04 6.97 6.88 7cpaA1 HIS 13 HE1 -0.54 -0.03 -0.03 -0.04 7.75 7.11 7cpaA1 THR 14 H 0.04 0.10 0.15 -0.55 8.28 8.02 7cpaA1 THR 14 HA -0.70 0.30 0.82 -0.75 4.39 4.05 7cpaA1 THR 14 HB -0.32 -0.07 0.20 -0.04 4.32 4.09 7cpaA1 THR 14 HG23 -0.24 0.06 0.02 -0.04 1.22 1.03 7cpaA1 LEU 15 H -0.27 0.24 0.14 -0.55 8.37 7.94 7cpaA1 LEU 15 HA 0.03 0.11 0.47 -0.75 4.35 4.21 7cpaA1 LEU 15 HB2 -0.09 0.04 0.16 -0.04 1.64 1.72 7cpaA1 LEU 15 HB3 -0.19 0.05 -0.01 -0.04 1.64 1.45 7cpaA1 LEU 15 HG 0.11 0.03 0.05 -0.04 1.64 1.79 7cpaA1 LEU 15 HD13 -0.29 0.01 -0.03 -0.04 0.93 0.58 7cpaA1 LEU 15 HD23 -0.51 -0.00 0.05 -0.04 0.89 0.39 7cpaA1 ASP 16 H -0.09 0.14 -0.07 -0.55 8.40 7.83 7cpaA1 ASP 16 HA 0.01 0.11 0.40 -0.75 4.63 4.40 7cpaA1 ASP 16 HB2 0.03 0.08 0.00 -0.04 2.71 2.78 7cpaA1 ASP 16 HB3 -0.01 0.05 0.08 -0.04 2.70 2.78 7cpaA1 GLU 17 H 0.02 -0.01 -0.42 -0.55 8.60 7.64 7cpaA1 GLU 17 HA 0.10 0.14 0.42 -0.75 4.29 4.20 7cpaA1 GLU 17 HB2 0.13 -0.01 0.11 -0.04 2.09 2.28 7cpaA1 GLU 17 HB3 0.09 0.08 -0.02 -0.04 1.99 2.10 7cpaA1 GLU 17 HG2 0.07 0.10 0.01 -0.04 2.34 2.48 7cpaA1 GLU 17 HG3 0.04 -0.10 0.02 -0.04 2.34 2.26 7cpaA1 ILE 18 H 0.10 0.48 -0.12 -0.55 8.25 8.16 7cpaA1 ILE 18 HA 0.07 0.09 0.52 -0.75 4.18 4.11 7cpaA1 ILE 18 HB 0.10 0.02 0.07 -0.04 1.89 2.03 7cpaA1 ILE 18 HG12 0.04 0.01 -0.07 -0.04 1.49 1.42 7cpaA1 ILE 18 HG13 0.13 0.10 -0.07 -0.04 1.21 1.33 7cpaA1 ILE 18 HG23 0.10 -0.01 -0.14 -0.04 0.93 0.83 7cpaA1 ILE 18 HD13 0.01 -0.02 -0.17 -0.04 0.88 0.66 7cpaA1 TYR 19 H 0.26 0.59 -0.12 -0.55 8.29 8.48 7cpaA1 TYR 19 HA 0.06 0.03 0.53 -0.75 4.56 4.42 7cpaA1 TYR 19 HB2 0.09 0.07 0.15 -0.04 3.06 3.33 7cpaA1 TYR 19 HB3 0.10 0.00 0.01 -0.04 2.98 3.05 7cpaA1 TYR 19 HD2 0.16 -0.04 -0.11 -0.04 7.15 7.12 7cpaA1 TYR 19 HE2 0.09 -0.03 0.01 -0.04 6.85 6.88 7cpaA1 ASP 20 H 0.17 0.51 -0.20 -0.55 8.40 8.33 7cpaA1 ASP 20 HA 0.04 0.04 0.41 -0.75 4.63 4.37 7cpaA1 ASP 20 HB2 0.08 0.05 0.12 -0.04 2.71 2.92 7cpaA1 ASP 20 HB3 0.11 0.05 0.13 -0.04 2.70 2.95 7cpaA1 PHE 21 H 0.19 0.52 -0.17 -0.55 8.34 8.33 7cpaA1 PHE 21 HA -0.14 -0.02 0.42 -0.75 4.62 4.12 7cpaA1 PHE 21 HB2 -0.43 0.01 0.10 -0.04 3.15 2.78 7cpaA1 PHE 21 HB3 -0.18 0.11 0.16 -0.04 3.06 3.11 7cpaA1 PHE 21 HD2 -0.65 0.02 -0.13 -0.04 7.28 6.48 7cpaA1 PHE 21 HE2 -0.17 0.02 -0.03 -0.04 7.38 7.15 7cpaA1 PHE 21 HZ -0.10 0.03 -0.02 -0.04 7.32 7.19 7cpaA1 MET 22 H 0.09 0.37 -0.41 -0.55 8.47 7.98 7cpaA1 MET 22 HA -0.23 0.03 0.40 -0.75 4.52 3.97 7cpaA1 MET 22 HB2 -0.15 0.13 0.12 -0.04 2.15 2.20 7cpaA1 MET 22 HB3 -0.19 -0.03 -0.07 -0.04 2.03 1.71 7cpaA1 MET 22 HG2 0.05 -0.03 -0.02 -0.04 2.63 2.59 7cpaA1 MET 22 HG3 0.17 0.14 0.02 -0.04 2.56 2.84 7cpaA1 MET 22 HE3 0.17 -0.03 -0.07 -0.04 2.10 2.12 7cpaA1 ASP 23 H -0.13 0.44 -0.06 -0.55 8.40 8.11 7cpaA1 ASP 23 HA -0.17 0.02 0.52 -0.75 4.63 4.24 7cpaA1 ASP 23 HB2 -0.07 0.17 0.15 -0.04 2.71 2.92 7cpaA1 ASP 23 HB3 -0.09 -0.03 -0.04 -0.04 2.70 2.50 7cpaA1 LEU 24 H -0.16 0.48 -0.23 -0.55 8.37 7.91 7cpaA1 LEU 24 HA -0.12 0.05 0.45 -0.75 4.35 3.98 7cpaA1 LEU 24 HB2 -0.23 0.06 0.03 -0.04 1.64 1.46 7cpaA1 LEU 24 HB3 -0.11 -0.10 -0.06 -0.04 1.64 1.33 7cpaA1 LEU 24 HG -0.05 0.24 -0.11 -0.04 1.64 1.67 7cpaA1 LEU 24 HD13 0.01 -0.01 -0.28 -0.04 0.93 0.61 7cpaA1 LEU 24 HD23 -0.04 -0.01 -0.13 -0.04 0.89 0.67 7cpaA1 LEU 25 H -0.45 0.60 -0.08 -0.55 8.37 7.90 7cpaA1 LEU 25 HA -0.15 -0.04 0.43 -0.75 4.35 3.84 7cpaA1 LEU 25 HB2 -0.78 -0.00 0.09 -0.04 1.64 0.91 7cpaA1 LEU 25 HB3 -0.35 0.06 0.06 -0.04 1.64 1.37 7cpaA1 LEU 25 HG -0.08 0.03 -0.12 -0.04 1.64 1.43 7cpaA1 LEU 25 HD13 -0.06 -0.01 -0.00 -0.04 0.93 0.81 7cpaA1 LEU 25 HD23 -0.05 0.02 -0.15 -0.04 0.89 0.67 7cpaA1 VAL 26 H -0.19 0.44 -0.33 -0.55 8.24 7.61 7cpaA1 VAL 26 HA -0.12 0.12 0.39 -0.75 4.13 3.78 7cpaA1 VAL 26 HB -0.15 0.08 0.11 -0.04 2.12 2.12 7cpaA1 VAL 26 HG13 -0.10 0.03 -0.10 -0.04 0.97 0.76 7cpaA1 VAL 26 HG23 -0.19 -0.01 -0.23 -0.04 0.95 0.48 7cpaA1 ALA 27 H -0.12 0.40 -0.16 -0.55 8.40 7.98 7cpaA1 ALA 27 HA -0.08 0.03 0.45 -0.75 4.34 3.99 7cpaA1 ALA 27 HB3 -0.08 -0.01 0.11 -0.04 1.41 1.39 7cpaA1 GLN 28 H -0.13 0.40 -0.24 -0.55 8.47 7.95 7cpaA1 GLN 28 HA -0.21 0.06 0.60 -0.75 4.36 4.07 7cpaA1 GLN 28 HB2 -0.23 0.06 0.07 -0.04 2.15 2.01 7cpaA1 GLN 28 HB3 -0.45 -0.06 0.09 -0.04 2.02 1.57 7cpaA1 GLN 28 HG2 -0.13 -0.02 0.04 -0.04 2.40 2.25 7cpaA1 GLN 28 HG3 -0.12 0.25 0.10 -0.04 2.39 2.57 7cpaA1 GLN 28 HE21 0.03 -0.21 0.03 -0.04 6.97 6.77 7cpaA1 GLN 28 HE22 -0.04 0.17 -0.00 -0.04 7.69 7.78 7cpaA1 HIS 29 H -0.05 0.38 -0.29 -0.55 8.41 7.90 7cpaA1 HIS 29 HA -0.04 0.15 0.88 -0.75 4.63 4.87 7cpaA1 HIS 29 HB2 -0.07 0.09 0.22 -0.04 3.26 3.47 7cpaA1 HIS 29 HB3 -0.02 -0.08 0.23 -0.04 3.20 3.28 7cpaA1 HIS 29 HD2 0.01 -0.00 0.08 -0.04 6.97 7.01 7cpaA1 HIS 29 HE1 -0.04 -0.11 -0.06 -0.04 7.75 7.50 7cpaA1 PRO 30 HA -0.05 0.20 0.47 -0.51 4.44 4.54 7cpaA1 PRO 30 HB2 -0.03 -0.04 -0.01 -0.04 2.28 2.15 7cpaA1 PRO 30 HB3 -0.05 -0.02 0.13 -0.04 2.02 2.04 7cpaA1 PRO 30 HG2 -0.06 -0.04 0.06 -0.04 2.03 1.95 7cpaA1 PRO 30 HG3 -0.07 0.21 0.07 -0.04 2.03 2.21 7cpaA1 PRO 30 HD2 -0.04 0.01 0.02 -0.04 3.68 3.63 7cpaA1 PRO 30 HD3 -0.10 0.12 -0.84 -0.04 3.65 2.78 7cpaA1 GLU 31 H -0.00 0.08 -0.24 -0.55 8.60 7.90 7cpaA1 GLU 31 HA -0.03 0.20 0.89 -0.75 4.29 4.59 7cpaA1 GLU 31 HB2 0.01 -0.05 0.08 -0.04 2.09 2.09 7cpaA1 GLU 31 HB3 -0.01 0.05 0.06 -0.04 1.99 2.05 7cpaA1 GLU 31 HG2 -0.00 -0.02 0.04 -0.04 2.34 2.32 7cpaA1 GLU 31 HG3 -0.02 0.04 0.06 -0.04 2.34 2.39 7cpaA1 LEU 32 H -0.03 0.33 -0.17 -0.55 8.37 7.95 7cpaA1 LEU 32 HA -0.11 0.42 1.03 -0.75 4.35 4.94 7cpaA1 LEU 32 HB2 -0.02 -0.07 -0.11 -0.04 1.64 1.40 7cpaA1 LEU 32 HB3 0.00 0.04 0.13 -0.04 1.64 1.77 7cpaA1 LEU 32 HG 0.01 -0.10 -0.05 -0.04 1.64 1.46 7cpaA1 LEU 32 HD13 -0.36 0.05 -0.05 -0.04 0.93 0.53 7cpaA1 LEU 32 HD23 0.04 -0.00 -0.02 -0.04 0.89 0.86 7cpaA1 VAL 33 H -0.10 0.49 0.30 -0.55 8.24 8.39 7cpaA1 VAL 33 HA -0.41 0.45 1.30 -0.75 4.13 4.73 7cpaA1 VAL 33 HB -0.48 -0.05 -0.10 -0.04 2.12 1.44 7cpaA1 VAL 33 HG13 -0.12 0.02 -0.03 -0.04 0.97 0.80 7cpaA1 VAL 33 HG23 -0.66 -0.04 -0.13 -0.04 0.95 0.08 7cpaA1 SER 34 H -0.29 0.51 0.42 -0.55 8.46 8.55 7cpaA1 SER 34 HA -0.13 0.13 0.56 -0.75 4.49 4.29 7cpaA1 SER 34 HB2 -0.05 -0.05 0.09 -0.04 3.95 3.90 7cpaA1 SER 34 HB3 -0.08 0.15 0.00 -0.04 3.93 3.96 7cpaA1 LYS 35 H -0.10 0.21 0.15 -0.55 8.42 8.13 7cpaA1 LYS 35 HA -0.10 0.18 0.96 -0.75 4.32 4.60 7cpaA1 LYS 35 HB2 -0.20 0.03 -0.04 -0.04 1.87 1.61 7cpaA1 LYS 35 HB3 -0.17 -0.00 0.13 -0.04 1.79 1.70 7cpaA1 LYS 35 HG2 -0.32 0.02 -0.15 -0.04 1.46 0.97 7cpaA1 LYS 35 HG3 -0.39 -0.04 -0.12 -0.04 1.46 0.86 7cpaA1 LYS 35 HD2 -0.32 0.03 -0.06 -0.04 1.69 1.30 7cpaA1 LYS 35 HD3 -0.45 -0.01 -0.15 -0.04 1.68 1.03 7cpaA1 LYS 35 HE2 -2.45 -0.05 -0.09 -0.04 2.99 0.36 7cpaA1 LYS 35 HE3 -0.70 -0.01 -0.08 -0.04 2.99 2.16 7cpaA1 LEU 36 H 0.04 0.80 0.37 -0.55 8.37 9.04 7cpaA1 LEU 36 HA 0.09 0.21 1.00 -0.75 4.35 4.90 7cpaA1 LEU 36 HB2 0.08 -0.08 0.04 -0.04 1.64 1.64 7cpaA1 LEU 36 HB3 0.13 0.05 -0.04 -0.04 1.64 1.74 7cpaA1 LEU 36 HG 0.14 0.01 -0.17 -0.04 1.64 1.58 7cpaA1 LEU 36 HD13 0.44 0.00 -0.10 -0.04 0.93 1.23 7cpaA1 LEU 36 HD23 0.12 0.04 -0.18 -0.04 0.89 0.83 7cpaA1 GLN 37 H 0.11 0.24 0.16 -0.55 8.47 8.43 7cpaA1 GLN 37 HA 0.09 0.20 1.02 -0.75 4.36 4.91 7cpaA1 GLN 37 HB2 0.17 0.00 0.07 -0.04 2.15 2.35 7cpaA1 GLN 37 HB3 0.06 0.01 0.20 -0.04 2.02 2.25 7cpaA1 GLN 37 HG2 -0.06 -0.09 0.00 -0.04 2.40 2.21 7cpaA1 GLN 37 HG3 -0.28 0.00 0.07 -0.04 2.39 2.14 7cpaA1 GLN 37 HE21 0.02 0.00 -0.01 -0.04 6.97 6.95 7cpaA1 GLN 37 HE22 0.10 0.01 0.00 -0.04 7.69 7.76 7cpaA1 ILE 38 H -0.01 0.40 0.17 -0.55 8.25 8.26 7cpaA1 ILE 38 HA 0.06 0.22 0.88 -0.75 4.18 4.58 7cpaA1 ILE 38 HB -0.02 0.07 0.07 -0.04 1.89 1.97 7cpaA1 ILE 38 HG12 0.01 0.01 -0.23 -0.04 1.49 1.24 7cpaA1 ILE 38 HG13 0.02 -0.02 -0.36 -0.04 1.21 0.81 7cpaA1 ILE 38 HG23 -0.27 0.01 -0.23 -0.04 0.93 0.39 7cpaA1 ILE 38 HD13 0.10 0.01 -0.28 -0.04 0.88 0.66 7cpaA1 GLY 39 H -0.03 0.27 0.08 -0.55 8.43 8.20 7cpaA1 GLY 39 HA2 0.00 0.10 0.33 -0.51 4.01 3.92 7cpaA1 GLY 39 HA3 -0.00 0.06 0.41 -0.51 4.01 3.97 7cpaA1 ARG 40 H -0.01 0.27 0.17 -0.55 8.46 8.34 7cpaA1 ARG 40 HA -0.04 0.22 0.84 -0.75 4.34 4.60 7cpaA1 ARG 40 HB2 -0.02 -0.03 -0.07 -0.04 1.90 1.75 7cpaA1 ARG 40 HB3 -0.02 0.04 -0.10 -0.04 1.80 1.68 7cpaA1 ARG 40 HG2 -0.02 0.02 -0.11 -0.04 1.67 1.52 7cpaA1 ARG 40 HG3 -0.02 -0.07 -0.36 -0.04 1.67 1.19 7cpaA1 ARG 40 HD2 -0.03 0.02 -0.24 -0.04 3.22 2.92 7cpaA1 ARG 40 HD3 -0.04 -0.03 -0.25 -0.04 3.22 2.87 7cpaA1 SER 41 H 0.02 0.67 0.17 -0.55 8.46 8.77 7cpaA1 SER 41 HA 0.05 0.10 0.57 -0.75 4.49 4.46 7cpaA1 SER 41 HB2 0.10 -0.20 0.20 -0.04 3.95 4.01 7cpaA1 SER 41 HB3 0.07 0.19 0.09 -0.04 3.93 4.24 7cpaA1 TYR 42 H 0.18 0.02 0.20 -0.55 8.29 8.14 7cpaA1 TYR 42 HA -0.00 0.17 0.40 -0.75 4.56 4.38 7cpaA1 TYR 42 HB2 0.01 -0.10 0.20 -0.04 3.06 3.12 7cpaA1 TYR 42 HB3 0.01 -0.10 0.08 -0.04 2.98 2.93 7cpaA1 TYR 42 HD2 -0.01 -0.01 -0.08 -0.04 7.15 7.02 7cpaA1 TYR 42 HE2 -0.01 0.10 0.05 -0.04 6.85 6.96 7cpaA1 GLU 43 H 0.12 -0.06 -0.17 -0.55 8.60 7.94 7cpaA1 GLU 43 HA -0.13 0.36 1.01 -0.75 4.29 4.78 7cpaA1 GLU 43 HB2 0.10 -0.15 0.06 -0.04 2.09 2.06 7cpaA1 GLU 43 HB3 0.03 0.03 0.11 -0.04 1.99 2.13 7cpaA1 GLU 43 HG2 0.10 -0.02 -0.05 -0.04 2.34 2.32 7cpaA1 GLU 43 HG3 0.04 0.01 0.02 -0.04 2.34 2.37 7cpaA1 GLY 44 H -0.02 0.44 -0.56 -0.55 8.43 7.75 7cpaA1 GLY 44 HA2 -0.02 0.06 0.19 -0.51 4.01 3.73 7cpaA1 GLY 44 HA3 -0.02 0.21 0.50 -0.51 4.01 4.19 7cpaA1 ARG 45 H 0.04 -0.15 -0.13 -0.55 8.46 7.66 7cpaA1 ARG 45 HA 0.05 0.26 0.63 -0.75 4.34 4.53 7cpaA1 ARG 45 HB2 0.08 -0.22 0.02 -0.04 1.90 1.74 7cpaA1 ARG 45 HB3 0.12 0.16 0.00 -0.04 1.80 2.04 7cpaA1 ARG 45 HG2 0.05 0.12 -0.07 -0.04 1.67 1.74 7cpaA1 ARG 45 HG3 0.05 -0.04 -0.19 -0.04 1.67 1.45 7cpaA1 ARG 45 HD2 0.08 -0.20 -0.27 -0.04 3.22 2.79 7cpaA1 ARG 45 HD3 0.04 0.03 -0.11 -0.04 3.22 3.14 7cpaA1 PRO 46 HA -0.16 0.18 0.68 -0.51 4.44 4.63 7cpaA1 PRO 46 HB2 -1.18 -0.03 -0.07 -0.04 2.28 0.96 7cpaA1 PRO 46 HB3 -0.46 0.08 0.08 -0.04 2.02 1.68 7cpaA1 PRO 46 HG2 -0.01 0.04 0.07 -0.04 2.03 2.09 7cpaA1 PRO 46 HG3 -0.05 0.09 0.08 -0.04 2.03 2.11 7cpaA1 PRO 46 HD2 0.17 0.04 0.20 -0.04 3.68 4.05 7cpaA1 PRO 46 HD3 0.06 0.21 0.28 -0.04 3.65 4.15 7cpaA1 ILE 47 H -0.18 0.69 0.28 -0.55 8.25 8.48 7cpaA1 ILE 47 HA -0.04 0.14 0.84 -0.75 4.18 4.36 7cpaA1 ILE 47 HB -0.03 -0.07 -0.03 -0.04 1.89 1.72 7cpaA1 ILE 47 HG12 0.05 0.04 -0.13 -0.04 1.49 1.40 7cpaA1 ILE 47 HG13 -0.01 -0.02 -0.44 -0.04 1.21 0.71 7cpaA1 ILE 47 HG23 0.06 0.03 -0.16 -0.04 0.93 0.82 7cpaA1 ILE 47 HD13 0.03 -0.02 -0.24 -0.04 0.88 0.60 7cpaA1 TYR 48 H -0.01 0.17 0.10 -0.55 8.29 8.00 7cpaA1 TYR 48 HA -0.05 0.35 1.13 -0.75 4.56 5.23 7cpaA1 TYR 48 HB2 -0.20 -0.10 0.02 -0.04 3.06 2.74 7cpaA1 TYR 48 HB3 -0.12 0.07 -0.08 -0.04 2.98 2.81 7cpaA1 TYR 48 HD2 -0.61 0.05 -0.19 -0.04 7.15 6.36 7cpaA1 TYR 48 HE2 -0.37 -0.00 -0.08 -0.04 6.85 6.36 7cpaA1 VAL 49 H 0.10 0.71 0.36 -0.55 8.24 8.86 7cpaA1 VAL 49 HA 0.03 0.14 0.86 -0.75 4.13 4.41 7cpaA1 VAL 49 HB -0.01 -0.00 0.03 -0.04 2.12 2.10 7cpaA1 VAL 49 HG13 0.19 -0.00 -0.28 -0.04 0.97 0.84 7cpaA1 VAL 49 HG23 0.07 -0.02 -0.23 -0.04 0.95 0.72 7cpaA1 LEU 50 H 0.06 0.68 0.35 -0.55 8.37 8.91 7cpaA1 LEU 50 HA -0.09 0.23 1.10 -0.75 4.35 4.83 7cpaA1 LEU 50 HB2 0.20 -0.04 0.24 -0.04 1.64 2.00 7cpaA1 LEU 50 HB3 -0.28 0.10 0.00 -0.04 1.64 1.42 7cpaA1 LEU 50 HG 0.02 -0.10 0.00 -0.04 1.64 1.53 7cpaA1 LEU 50 HD13 0.14 -0.00 -0.02 -0.04 0.93 1.00 7cpaA1 LEU 50 HD23 -0.16 0.01 -0.04 -0.04 0.89 0.65 7cpaA1 LYS 51 H -0.20 0.67 0.37 -0.55 8.42 8.71 7cpaA1 LYS 51 HA -0.32 0.25 1.14 -0.75 4.32 4.64 7cpaA1 LYS 51 HB2 -0.01 -0.07 -0.04 -0.04 1.87 1.71 7cpaA1 LYS 51 HB3 -0.10 -0.04 0.12 -0.04 1.79 1.73 7cpaA1 LYS 51 HG2 -0.25 0.06 -0.42 -0.04 1.46 0.81 7cpaA1 LYS 51 HG3 -0.73 0.01 -0.11 -0.04 1.46 0.58 7cpaA1 LYS 51 HD2 0.25 -0.05 -0.10 -0.04 1.69 1.75 7cpaA1 LYS 51 HD3 0.01 -0.02 -0.10 -0.04 1.68 1.52 7cpaA1 LYS 51 HE2 0.12 -0.03 -0.10 -0.04 2.99 2.94 7cpaA1 LYS 51 HE3 -0.01 0.05 -0.15 -0.04 2.99 2.84 7cpaA1 PHE 52 H -0.02 0.72 0.40 -0.55 8.34 8.89 7cpaA1 PHE 52 HA -0.12 0.36 0.96 -0.75 4.62 5.07 7cpaA1 PHE 52 HB2 -0.16 -0.10 0.23 -0.04 3.15 3.09 7cpaA1 PHE 52 HB3 -0.13 0.05 0.03 -0.04 3.06 2.97 7cpaA1 PHE 52 HD2 0.03 0.11 -0.11 -0.04 7.28 7.27 7cpaA1 PHE 52 HE2 0.06 -0.01 -0.07 -0.04 7.38 7.32 7cpaA1 PHE 52 HZ 0.01 -0.09 -0.03 -0.04 7.32 7.17 7cpaA1 SER 53 H -0.12 0.80 0.35 -0.55 8.46 8.95 7cpaA1 SER 53 HA -0.12 0.14 0.85 -0.75 4.49 4.60 7cpaA1 SER 53 HB2 -0.13 -0.03 -0.35 -0.04 3.95 3.40 7cpaA1 SER 53 HB3 -0.10 0.05 -0.11 -0.04 3.93 3.73 7cpaA1 THR 54 H -0.13 0.28 0.19 -0.55 8.28 8.07 7cpaA1 THR 54 HA -0.18 0.13 0.73 -0.75 4.39 4.32 7cpaA1 THR 54 HB -0.14 0.41 0.27 -0.04 4.32 4.81 7cpaA1 THR 54 HG23 -0.04 -0.05 0.02 -0.04 1.22 1.11 7cpaA1 GLY 55 H -0.07 0.06 -0.11 -0.55 8.43 7.77 7cpaA1 GLY 55 HA2 -0.03 0.04 0.25 -0.51 4.01 3.76 7cpaA1 GLY 55 HA3 -0.03 0.14 0.76 -0.51 4.01 4.37 7cpaA1 GLY 56 H -0.01 0.09 0.10 -0.55 8.43 8.06 7cpaA1 GLY 56 HA2 -0.01 0.01 0.29 -0.51 4.01 3.79 7cpaA1 GLY 56 HA3 -0.01 0.16 0.45 -0.51 4.01 4.11 7cpaA1 SER 57 H -0.01 0.30 0.07 -0.55 8.46 8.28 7cpaA1 SER 57 HA -0.01 0.13 0.79 -0.75 4.49 4.65 7cpaA1 SER 57 HB2 -0.01 -0.03 -0.14 -0.04 3.95 3.73 7cpaA1 SER 57 HB3 -0.02 0.03 0.06 -0.04 3.93 3.96 7cpaA1 ASN 58 H -0.02 0.11 0.03 -0.55 8.53 8.11 7cpaA1 ASN 58 HA -0.11 0.00 0.31 -0.75 4.76 4.21 7cpaA1 ASN 58 HB2 -0.11 -0.10 -0.05 -0.04 2.88 2.58 7cpaA1 ASN 58 HB3 -0.10 0.08 0.16 -0.04 2.79 2.90 7cpaA1 ASN 58 HD21 -0.96 0.07 0.09 -0.04 7.03 6.18 7cpaA1 ASN 58 HD22 -0.46 -0.10 0.05 -0.04 7.74 7.19 7cpaA1 ARG 59 H 0.03 -0.02 -0.23 -0.55 8.46 7.70 7cpaA1 ARG 59 HA 0.01 0.13 0.63 -0.75 4.34 4.36 7cpaA1 ARG 59 HB2 0.03 -0.14 0.01 -0.04 1.90 1.76 7cpaA1 ARG 59 HB3 0.02 0.22 0.08 -0.04 1.80 2.08 7cpaA1 ARG 59 HG2 0.00 0.07 0.03 -0.04 1.67 1.73 7cpaA1 ARG 59 HG3 0.00 -0.21 -0.08 -0.04 1.67 1.34 7cpaA1 ARG 59 HD2 -0.01 0.03 -0.15 -0.04 3.22 3.04 7cpaA1 ARG 59 HD3 -0.01 0.09 -0.48 -0.04 3.22 2.78 7cpaA1 PRO 60 HA 0.06 0.22 0.58 -0.51 4.44 4.79 7cpaA1 PRO 60 HB2 0.05 -0.01 0.05 -0.04 2.28 2.33 7cpaA1 PRO 60 HB3 0.06 0.00 0.13 -0.04 2.02 2.17 7cpaA1 PRO 60 HG2 0.03 0.04 0.14 -0.04 2.03 2.20 7cpaA1 PRO 60 HG3 0.03 0.02 0.17 -0.04 2.03 2.20 7cpaA1 PRO 60 HD2 0.02 0.29 0.34 -0.04 3.68 4.29 7cpaA1 PRO 60 HD3 0.02 0.11 0.32 -0.04 3.65 4.05 7cpaA1 ALA 61 H -0.00 0.44 0.47 -0.55 8.40 8.76 7cpaA1 ALA 61 HA 0.12 0.29 1.10 -0.75 4.34 5.10 7cpaA1 ALA 61 HB3 -0.24 -0.00 -0.15 -0.04 1.41 0.98 7cpaA1 ILE 62 H 0.32 0.68 0.35 -0.55 8.25 9.05 7cpaA1 ILE 62 HA 0.44 0.10 1.09 -0.75 4.18 5.06 7cpaA1 ILE 62 HB 0.19 0.03 0.18 -0.04 1.89 2.26 7cpaA1 ILE 62 HG12 0.20 -0.04 -0.08 -0.04 1.49 1.53 7cpaA1 ILE 62 HG13 0.18 -0.02 -0.38 -0.04 1.21 0.96 7cpaA1 ILE 62 HG23 0.23 -0.02 -0.21 -0.04 0.93 0.89 7cpaA1 ILE 62 HD13 0.08 0.02 -0.11 -0.04 0.88 0.82 7cpaA1 TRP 63 H 0.56 0.52 0.30 -0.55 7.97 8.81 7cpaA1 TRP 63 HA 0.29 0.19 0.90 -0.75 4.62 5.25 7cpaA1 TRP 63 HB2 -0.50 0.02 0.07 -0.04 3.23 2.77 7cpaA1 TRP 63 HB3 -0.29 -0.03 0.25 -0.04 3.23 3.13 7cpaA1 TRP 63 HD1 -1.20 -0.09 -0.26 -0.04 7.22 5.63 7cpaA1 TRP 63 HE1 -0.25 -0.10 -0.15 -0.04 10.20 9.66 7cpaA1 TRP 63 HE3 -0.06 0.05 -0.06 -0.04 7.59 7.48 7cpaA1 TRP 63 HZ2 0.08 -0.06 -0.06 -0.04 7.44 7.36 7cpaA1 TRP 63 HZ3 -0.09 0.03 -0.11 -0.04 7.13 6.92 7cpaA1 TRP 63 HH2 -0.02 -0.01 -0.09 -0.04 7.19 7.02 7cpaA1 ILE 64 H -0.74 0.60 0.37 -0.55 8.25 7.93 7cpaA1 ILE 64 HA -0.06 0.28 0.96 -0.75 4.18 4.60 7cpaA1 ILE 64 HB -0.01 -0.02 0.15 -0.04 1.89 1.97 7cpaA1 ILE 64 HG12 0.16 0.02 -0.07 -0.04 1.49 1.55 7cpaA1 ILE 64 HG13 0.11 -0.03 -0.69 -0.04 1.21 0.56 7cpaA1 ILE 64 HG23 0.16 -0.03 -0.13 -0.04 0.93 0.90 7cpaA1 ILE 64 HD13 0.22 -0.01 -0.14 -0.04 0.88 0.92 7cpaA1 ASP 65 H -0.00 0.52 0.44 -0.55 8.40 8.81 7cpaA1 ASP 65 HA -0.18 0.24 1.13 -0.75 4.63 5.07 7cpaA1 ASP 65 HB2 0.21 0.01 0.14 -0.04 2.71 3.03 7cpaA1 ASP 65 HB3 0.34 0.02 0.04 -0.04 2.70 3.06 7cpaA1 LEU 66 H 0.04 0.66 0.32 -0.55 8.37 8.85 7cpaA1 LEU 66 HA 0.08 0.18 0.96 -0.75 4.35 4.82 7cpaA1 LEU 66 HB2 -0.00 0.16 0.03 -0.04 1.64 1.79 7cpaA1 LEU 66 HB3 0.02 -0.08 -0.06 -0.04 1.64 1.48 7cpaA1 LEU 66 HG 0.07 0.11 -0.60 -0.04 1.64 1.18 7cpaA1 LEU 66 HD13 0.02 0.03 -0.25 -0.04 0.93 0.69 7cpaA1 LEU 66 HD23 -0.04 0.00 -0.04 -0.04 0.89 0.77 7cpaA1 GLY 67 H 0.04 0.24 0.21 -0.55 8.43 8.38 7cpaA1 GLY 67 HA2 0.07 0.16 0.31 -0.51 4.01 4.03 7cpaA1 GLY 67 HA3 0.01 0.10 0.32 -0.51 4.01 3.93 7cpaA1 ILE 68 H -0.03 0.17 -0.21 -0.55 8.25 7.63 7cpaA1 ILE 68 HA 0.08 0.03 0.28 -0.75 4.18 3.82 7cpaA1 ILE 68 HB 0.12 0.04 -0.04 -0.04 1.89 1.97 7cpaA1 ILE 68 HG12 0.03 -0.10 -0.11 -0.04 1.49 1.28 7cpaA1 ILE 68 HG13 0.17 0.05 -0.05 -0.04 1.21 1.34 7cpaA1 ILE 68 HG23 -0.33 0.00 -0.12 -0.04 0.93 0.44 7cpaA1 ILE 68 HD13 0.43 0.02 -0.14 -0.04 0.88 1.14 7cpaA1 HIS 69 H -0.07 0.06 -0.26 -0.55 8.41 7.60 7cpaA1 HIS 69 HA 0.03 0.35 0.80 -0.75 4.63 5.06 7cpaA1 HIS 69 HB2 -0.09 -0.07 0.17 -0.04 3.26 3.23 7cpaA1 HIS 69 HB3 -0.03 0.01 0.07 -0.04 3.20 3.21 7cpaA1 HIS 69 HD2 0.02 0.29 0.05 -0.04 6.97 7.28 7cpaA1 HIS 69 HE1 0.28 0.07 -0.07 -0.04 7.75 7.99 7cpaA1 SER 70 H 0.19 0.41 0.17 -0.55 8.46 8.68 7cpaA1 SER 70 HA 0.32 0.03 0.15 -0.75 4.49 4.24 7cpaA1 SER 70 HB2 0.47 0.02 -0.40 -0.04 3.95 4.00 7cpaA1 SER 70 HB3 0.35 -0.07 -0.08 -0.04 3.93 4.10 7cpaA1 ARG 71 H 0.02 0.13 -0.06 -0.55 8.46 8.00 7cpaA1 ARG 71 HA -0.02 0.18 0.46 -0.75 4.34 4.20 7cpaA1 ARG 71 HB2 -0.40 -0.02 0.17 -0.04 1.90 1.60 7cpaA1 ARG 71 HB3 -0.18 0.05 -0.07 -0.04 1.80 1.55 7cpaA1 ARG 71 HG2 -0.30 -0.06 -0.15 -0.04 1.67 1.11 7cpaA1 ARG 71 HG3 -0.70 -0.05 -0.20 -0.04 1.67 0.69 7cpaA1 ARG 71 HD2 -1.16 -0.05 -0.05 -0.04 3.22 1.92 7cpaA1 ARG 71 HD3 -0.44 0.28 -0.28 -0.04 3.22 2.75 7cpaA1 GLU 72 H 0.16 0.30 -0.43 -0.55 8.60 8.09 7cpaA1 GLU 72 HA 0.32 0.12 0.54 -0.75 4.29 4.51 7cpaA1 GLU 72 HB2 0.18 0.05 0.28 -0.04 2.09 2.56 7cpaA1 GLU 72 HB3 0.26 -0.12 0.19 -0.04 1.99 2.28 7cpaA1 GLU 72 HG2 0.39 0.13 0.01 -0.04 2.34 2.82 7cpaA1 GLU 72 HG3 0.08 -0.05 -0.01 -0.04 2.34 2.32 7cpaA1 TRP 73 H 0.24 0.65 0.06 -0.55 7.97 8.38 7cpaA1 TRP 73 HA 0.18 0.02 0.23 -0.75 4.62 4.30 7cpaA1 TRP 73 HB2 -0.24 0.12 0.15 -0.04 3.23 3.22 7cpaA1 TRP 73 HB3 -0.20 -0.06 -0.01 -0.04 3.23 2.92 7cpaA1 TRP 73 HD1 0.20 -0.01 -0.09 -0.04 7.22 7.28 7cpaA1 TRP 73 HE1 -0.04 0.03 0.03 -0.04 10.20 10.17 7cpaA1 TRP 73 HE3 -0.86 -0.05 -0.00 -0.04 7.59 6.64 7cpaA1 TRP 73 HZ2 -0.74 0.01 -0.25 -0.04 7.44 6.42 7cpaA1 TRP 73 HZ3 -0.22 -0.02 -0.02 -0.04 7.13 6.82 7cpaA1 TRP 73 HH2 -0.54 0.03 -0.04 -0.04 7.19 6.61 7cpaA1 ILE 74 H 0.33 0.18 -0.20 -0.55 8.25 8.00 7cpaA1 ILE 74 HA 0.38 0.09 0.48 -0.75 4.18 4.38 7cpaA1 ILE 74 HB 0.26 0.06 0.03 -0.04 1.89 2.20 7cpaA1 ILE 74 HG12 0.11 -0.00 -0.03 -0.04 1.49 1.53 7cpaA1 ILE 74 HG13 0.09 -0.04 -0.07 -0.04 1.21 1.15 7cpaA1 ILE 74 HG23 0.20 0.02 -0.12 -0.04 0.93 1.00 7cpaA1 ILE 74 HD13 0.06 0.02 -0.00 -0.04 0.88 0.92 7cpaA1 THR 75 H 0.22 0.59 -0.18 -0.55 8.28 8.36 7cpaA1 THR 75 HA 0.06 0.09 0.40 -0.75 4.39 4.19 7cpaA1 THR 75 HB 0.08 -0.02 0.09 -0.04 4.32 4.42 7cpaA1 THR 75 HG23 0.16 0.01 -0.15 -0.04 1.22 1.20 7cpaA1 GLN 76 H 0.10 0.22 -0.03 -0.55 8.47 8.22 7cpaA1 GLN 76 HA -0.05 0.12 0.39 -0.75 4.36 4.07 7cpaA1 GLN 76 HB2 -0.10 0.07 0.07 -0.04 2.15 2.16 7cpaA1 GLN 76 HB3 -0.22 -0.04 -0.03 -0.04 2.02 1.69 7cpaA1 GLN 76 HG2 -0.90 -0.04 -0.02 -0.04 2.40 1.40 7cpaA1 GLN 76 HG3 -0.22 0.19 0.03 -0.04 2.39 2.35 7cpaA1 GLN 76 HE21 0.27 0.16 -0.03 -0.04 6.97 7.33 7cpaA1 GLN 76 HE22 -0.07 -0.06 0.03 -0.04 7.69 7.56 7cpaA1 ALA 77 H 0.16 0.48 -0.20 -0.55 8.40 8.29 7cpaA1 ALA 77 HA 0.08 0.02 0.44 -0.75 4.34 4.13 7cpaA1 ALA 77 HB3 0.11 0.03 0.09 -0.04 1.41 1.59 7cpaA1 THR 78 H -0.02 0.55 -0.19 -0.55 8.28 8.07 7cpaA1 THR 78 HA -0.15 0.02 0.46 -0.75 4.39 3.96 7cpaA1 THR 78 HB -0.21 0.08 0.18 -0.04 4.32 4.33 7cpaA1 THR 78 HG23 -0.82 -0.03 -0.10 -0.04 1.22 0.23 7cpaA1 GLY 79 H -0.13 0.49 -0.18 -0.55 8.43 8.07 7cpaA1 GLY 79 HA2 -0.18 0.01 0.36 -0.51 4.01 3.69 7cpaA1 GLY 79 HA3 -0.08 0.05 0.25 -0.51 4.01 3.72 7cpaA1 VAL 80 H -0.06 0.50 -0.13 -0.55 8.24 7.99 7cpaA1 VAL 80 HA -0.19 0.01 0.46 -0.75 4.13 3.66 7cpaA1 VAL 80 HB -0.02 0.16 0.10 -0.04 2.12 2.32 7cpaA1 VAL 80 HG13 -1.11 -0.01 -0.09 -0.04 0.97 -0.28 7cpaA1 VAL 80 HG23 -0.18 0.04 0.03 -0.04 0.95 0.80 7cpaA1 TRP 81 H 0.15 0.40 -0.25 -0.55 7.97 7.72 7cpaA1 TRP 81 HA -0.16 0.01 0.36 -0.75 4.62 4.08 7cpaA1 TRP 81 HB2 -0.01 0.07 0.11 -0.04 3.23 3.36 7cpaA1 TRP 81 HB3 -0.16 0.11 0.17 -0.04 3.23 3.31 7cpaA1 TRP 81 HD1 -0.08 -0.01 -0.02 -0.04 7.22 7.07 7cpaA1 TRP 81 HE1 -0.12 0.00 -0.03 -0.04 10.20 10.01 7cpaA1 TRP 81 HE3 0.12 0.07 -0.28 -0.04 7.59 7.45 7cpaA1 TRP 81 HZ2 -0.06 0.02 -0.05 -0.04 7.44 7.30 7cpaA1 TRP 81 HZ3 -0.03 0.00 -0.11 -0.04 7.13 6.95 7cpaA1 TRP 81 HH2 -0.06 0.03 -0.05 -0.04 7.19 7.06 7cpaA1 PHE 82 H 0.03 0.51 -0.14 -0.55 8.34 8.19 7cpaA1 PHE 82 HA -0.62 0.00 0.33 -0.75 4.62 3.58 7cpaA1 PHE 82 HB2 -0.33 0.11 0.14 -0.04 3.15 3.02 7cpaA1 PHE 82 HB3 -1.03 -0.02 -0.11 -0.04 3.06 1.86 7cpaA1 PHE 82 HD2 0.09 -0.03 -0.09 -0.04 7.28 7.22 7cpaA1 PHE 82 HE2 0.20 0.04 -0.06 -0.04 7.38 7.51 7cpaA1 PHE 82 HZ 0.07 -0.05 -0.24 -0.04 7.32 7.06 7cpaA1 ALA 83 H -0.21 0.51 -0.22 -0.55 8.40 7.94 7cpaA1 ALA 83 HA -0.53 0.02 0.34 -0.75 4.34 3.40 7cpaA1 ALA 83 HB3 0.19 0.03 0.07 -0.04 1.41 1.66 7cpaA1 LYS 84 H -0.15 0.41 -0.15 -0.55 8.42 7.97 7cpaA1 LYS 84 HA -0.14 0.03 0.49 -0.75 4.32 3.95 7cpaA1 LYS 84 HB2 -0.00 -0.00 0.09 -0.04 1.87 1.91 7cpaA1 LYS 84 HB3 -0.67 0.07 0.11 -0.04 1.79 1.26 7cpaA1 LYS 84 HG2 -0.42 0.04 -0.05 -0.04 1.46 0.98 7cpaA1 LYS 84 HG3 -0.38 -0.03 -0.21 -0.04 1.46 0.81 7cpaA1 LYS 84 HD2 -0.10 -0.01 0.04 -0.04 1.69 1.57 7cpaA1 LYS 84 HD3 0.07 -0.04 -0.02 -0.04 1.68 1.65 7cpaA1 LYS 84 HE2 0.04 0.00 -0.12 -0.04 2.99 2.87 7cpaA1 LYS 84 HE3 0.11 -0.09 -0.42 -0.04 2.99 2.54 7cpaA1 LYS 85 H -0.84 0.70 -0.08 -0.55 8.42 7.64 7cpaA1 LYS 85 HA -0.74 -0.03 0.36 -0.75 4.32 3.15 7cpaA1 LYS 85 HB2 -1.32 0.23 0.18 -0.04 1.87 0.93 7cpaA1 LYS 85 HB3 -1.16 0.03 0.01 -0.04 1.79 0.62 7cpaA1 LYS 85 HG2 -1.36 -0.02 0.01 -0.04 1.46 0.05 7cpaA1 LYS 85 HG3 -1.29 -0.03 -0.04 -0.04 1.46 0.05 7cpaA1 LYS 85 HD2 -1.14 -0.01 -0.09 -0.04 1.69 0.41 7cpaA1 LYS 85 HD3 -0.60 -0.07 -0.01 -0.04 1.68 0.96 7cpaA1 LYS 85 HE2 -0.05 0.01 -0.04 -0.04 2.99 2.87 7cpaA1 LYS 85 HE3 -0.05 -0.02 -0.04 -0.04 2.99 2.84 7cpaA1 PHE 86 H -0.69 0.66 -0.19 -0.55 8.34 7.57 7cpaA1 PHE 86 HA -0.70 -0.05 0.37 -0.75 4.62 3.50 7cpaA1 PHE 86 HB2 -0.61 0.17 0.07 -0.04 3.15 2.73 7cpaA1 PHE 86 HB3 -0.33 -0.02 -0.05 -0.04 3.06 2.62 7cpaA1 PHE 86 HD2 -1.95 -0.03 -0.08 -0.04 7.28 5.17 7cpaA1 PHE 86 HE2 -0.78 -0.05 -0.12 -0.04 7.38 6.38 7cpaA1 PHE 86 HZ -0.28 -0.05 -0.13 -0.04 7.32 6.82 7cpaA1 THR 87 H -0.14 0.37 -0.25 -0.55 8.28 7.71 7cpaA1 THR 87 HA -0.02 0.09 0.60 -0.75 4.39 4.31 7cpaA1 THR 87 HB -0.90 -0.02 0.11 -0.04 4.32 3.46 7cpaA1 THR 87 HG23 -0.09 0.04 0.03 -0.04 1.22 1.16 7cpaA1 GLU 88 H -0.21 0.36 -0.16 -0.55 8.60 8.04 7cpaA1 GLU 88 HA -0.06 0.12 0.69 -0.75 4.29 4.28 7cpaA1 GLU 88 HB2 -0.25 0.03 0.11 -0.04 2.09 1.93 7cpaA1 GLU 88 HB3 -0.12 -0.07 -0.01 -0.04 1.99 1.75 7cpaA1 GLU 88 HG2 -0.12 -0.03 -0.03 -0.04 2.34 2.12 7cpaA1 GLU 88 HG3 -0.25 0.17 -0.09 -0.04 2.34 2.13 7cpaA1 ASN 89 H -0.10 0.56 -0.01 -0.55 8.53 8.43 7cpaA1 ASN 89 HA 0.03 0.12 0.71 -0.75 4.76 4.86 7cpaA1 ASN 89 HB2 -0.21 0.16 0.07 -0.04 2.88 2.86 7cpaA1 ASN 89 HB3 0.20 -0.15 -0.02 -0.04 2.79 2.78 7cpaA1 ASN 89 HD21 0.15 0.01 -0.04 -0.04 7.03 7.11 7cpaA1 ASN 89 HD22 0.22 -0.06 -0.02 -0.04 7.74 7.84 7cpaA1 TYR 90 H 0.32 0.40 -0.19 -0.55 8.29 8.27 7cpaA1 TYR 90 HA 0.15 -0.05 0.35 -0.75 4.56 4.26 7cpaA1 TYR 90 HB2 0.14 0.07 0.09 -0.04 3.06 3.31 7cpaA1 TYR 90 HB3 0.07 0.06 0.10 -0.04 2.98 3.16 7cpaA1 TYR 90 HD2 -0.12 -0.01 -0.09 -0.04 7.15 6.89 7cpaA1 TYR 90 HE2 -0.07 0.07 -0.07 -0.04 6.85 6.74 7cpaA1 GLY 91 H -0.51 0.09 0.07 -0.55 8.43 7.53 7cpaA1 GLY 91 HA2 -0.37 -0.03 0.34 -0.51 4.01 3.44 7cpaA1 GLY 91 HA3 -0.23 0.20 0.78 -0.51 4.01 4.24 7cpaA1 GLN 92 H -0.03 0.31 -0.59 -0.55 8.47 7.61 7cpaA1 GLN 92 HA -0.02 0.05 0.55 -0.75 4.36 4.19 7cpaA1 GLN 92 HB2 0.02 0.04 0.14 -0.04 2.15 2.31 7cpaA1 GLN 92 HB3 0.01 -0.09 -0.04 -0.04 2.02 1.86 7cpaA1 GLN 92 HG2 -0.01 0.09 -0.02 -0.04 2.40 2.42 7cpaA1 GLN 92 HG3 -0.00 0.01 0.03 -0.04 2.39 2.39 7cpaA1 GLN 92 HE21 -0.00 -0.04 0.01 -0.04 6.97 6.89 7cpaA1 GLN 92 HE22 0.00 -0.02 0.01 -0.04 7.69 7.64 7cpaA1 ASN 93 H 0.09 0.62 0.10 -0.55 8.53 8.79 7cpaA1 ASN 93 HA 0.06 0.19 0.84 -0.75 4.76 5.10 7cpaA1 ASN 93 HB2 0.13 0.06 0.08 -0.04 2.88 3.11 7cpaA1 ASN 93 HB3 0.26 0.01 0.15 -0.04 2.79 3.18 7cpaA1 ASN 93 HD21 0.07 -0.00 0.00 -0.04 7.03 7.06 7cpaA1 ASN 93 HD22 0.11 0.09 0.02 -0.04 7.74 7.91 7cpaA1 PRO 94 HA -0.02 0.11 0.53 -0.51 4.44 4.55 7cpaA1 PRO 94 HB2 -0.01 0.02 -0.01 -0.04 2.28 2.24 7cpaA1 PRO 94 HB3 -0.01 0.08 0.09 -0.04 2.02 2.14 7cpaA1 PRO 94 HG2 0.01 -0.07 0.13 -0.04 2.03 2.06 7cpaA1 PRO 94 HG3 0.00 0.07 0.10 -0.04 2.03 2.16 7cpaA1 PRO 94 HD2 0.02 0.11 0.41 -0.04 3.68 4.19 7cpaA1 PRO 94 HD3 -0.00 0.32 0.08 -0.04 3.65 4.00 7cpaA1 SER 95 H 0.04 0.12 -0.10 -0.55 8.46 7.98 7cpaA1 SER 95 HA -0.00 0.20 0.71 -0.75 4.49 4.64 7cpaA1 SER 95 HB2 0.01 0.04 -0.12 -0.04 3.95 3.83 7cpaA1 SER 95 HB3 -0.01 0.06 0.03 -0.04 3.93 3.97 7cpaA1 PHE 96 H 0.21 0.05 -0.18 -0.55 8.34 7.87 7cpaA1 PHE 96 HA 0.04 0.06 0.38 -0.75 4.62 4.34 7cpaA1 PHE 96 HB2 0.20 -0.04 0.03 -0.04 3.15 3.30 7cpaA1 PHE 96 HB3 0.11 0.09 -0.01 -0.04 3.06 3.21 7cpaA1 PHE 96 HD2 0.15 -0.02 -0.25 -0.04 7.28 7.12 7cpaA1 PHE 96 HE2 -0.14 0.15 -0.01 -0.04 7.38 7.34 7cpaA1 PHE 96 HZ -0.71 0.01 -0.03 -0.04 7.32 6.55 7cpaA1 THR 97 H 0.04 0.64 -0.27 -0.55 8.28 8.15 7cpaA1 THR 97 HA -0.03 -0.01 0.30 -0.75 4.39 3.89 7cpaA1 THR 97 HB -0.08 0.08 0.10 -0.04 4.32 4.39 7cpaA1 THR 97 HG23 -0.25 0.01 -0.10 -0.04 1.22 0.85 7cpaA1 ALA 98 H -0.04 0.31 -0.36 -0.55 8.40 7.77 7cpaA1 ALA 98 HA -0.03 0.03 0.34 -0.75 4.34 3.92 7cpaA1 ALA 98 HB3 -0.03 0.02 0.10 -0.04 1.41 1.46 7cpaA1 ILE 99 H -0.10 0.46 -0.20 -0.55 8.25 7.86 7cpaA1 ILE 99 HA -0.06 0.08 0.64 -0.75 4.18 4.08 7cpaA1 ILE 99 HB -0.20 0.05 0.12 -0.04 1.89 1.82 7cpaA1 ILE 99 HG12 -0.03 0.04 -0.11 -0.04 1.49 1.36 7cpaA1 ILE 99 HG13 -0.04 0.06 -0.05 -0.04 1.21 1.15 7cpaA1 ILE 99 HG23 -0.07 -0.01 -0.20 -0.04 0.93 0.62 7cpaA1 ILE 99 HD13 0.04 -0.06 -0.21 -0.04 0.88 0.62 7cpaA1 LEU 100 H -0.33 0.49 -0.07 -0.55 8.37 7.91 7cpaA1 LEU 100 HA -0.21 0.29 0.38 -0.75 4.35 4.06 7cpaA1 LEU 100 HB2 -0.69 -0.01 0.08 -0.04 1.64 0.98 7cpaA1 LEU 100 HB3 -0.30 0.03 -0.01 -0.04 1.64 1.31 7cpaA1 LEU 100 HG -0.38 -0.04 -0.04 -0.04 1.64 1.14 7cpaA1 LEU 100 HD13 -0.23 0.08 -0.04 -0.04 0.93 0.70 7cpaA1 LEU 100 HD23 -0.35 -0.03 -0.07 -0.04 0.89 0.40 7cpaA1 ASP 101 H -0.04 0.25 -0.46 -0.55 8.40 7.59 7cpaA1 ASP 101 HA -0.01 0.07 0.70 -0.75 4.63 4.64 7cpaA1 ASP 101 HB2 0.01 0.04 0.09 -0.04 2.71 2.80 7cpaA1 ASP 101 HB3 0.01 -0.06 0.04 -0.04 2.70 2.65 7cpaA1 SER 102 H -0.05 0.37 -0.26 -0.55 8.46 7.98 7cpaA1 SER 102 HA -0.02 0.14 0.97 -0.75 4.49 4.82 7cpaA1 SER 102 HB2 -0.02 0.07 0.09 -0.04 3.95 4.05 7cpaA1 SER 102 HB3 -0.01 -0.07 0.11 -0.04 3.93 3.92 7cpaA1 MET 103 H -0.06 0.38 0.23 -0.55 8.47 8.47 7cpaA1 MET 103 HA 0.01 0.24 1.02 -0.75 4.52 5.03 7cpaA1 MET 103 HB2 -0.01 -0.09 -0.13 -0.04 2.15 1.87 7cpaA1 MET 103 HB3 0.04 0.06 -0.00 -0.04 2.03 2.09 7cpaA1 MET 103 HG2 0.02 0.12 -0.25 -0.04 2.63 2.48 7cpaA1 MET 103 HG3 -0.01 -0.04 -0.23 -0.04 2.56 2.24 7cpaA1 MET 103 HE3 0.00 -0.01 -0.09 -0.04 2.10 1.96 7cpaA1 ASP 104 H 0.05 0.55 0.27 -0.55 8.40 8.73 7cpaA1 ASP 104 HA -0.07 0.30 1.08 -0.75 4.63 5.18 7cpaA1 ASP 104 HB2 0.16 -0.02 0.02 -0.04 2.71 2.84 7cpaA1 ASP 104 HB3 -0.24 -0.02 0.05 -0.04 2.70 2.45 7cpaA1 ILE 105 H -0.11 0.66 0.39 -0.55 8.25 8.63 7cpaA1 ILE 105 HA 0.18 0.21 1.09 -0.75 4.18 4.91 7cpaA1 ILE 105 HB -0.10 -0.04 0.14 -0.04 1.89 1.85 7cpaA1 ILE 105 HG12 -0.01 0.07 -0.23 -0.04 1.49 1.28 7cpaA1 ILE 105 HG13 -0.13 0.07 -0.39 -0.04 1.21 0.72 7cpaA1 ILE 105 HG23 -0.04 -0.02 -0.14 -0.04 0.93 0.68 7cpaA1 ILE 105 HD13 -0.32 -0.02 -0.12 -0.04 0.88 0.38 7cpaA1 PHE 106 H 0.55 0.83 0.39 -0.55 8.34 9.56 7cpaA1 PHE 106 HA 0.21 0.33 1.08 -0.75 4.62 5.49 7cpaA1 PHE 106 HB2 0.55 -0.06 0.14 -0.04 3.15 3.74 7cpaA1 PHE 106 HB3 0.22 -0.07 -0.02 -0.04 3.06 3.15 7cpaA1 PHE 106 HD2 0.38 -0.00 -0.19 -0.04 7.28 7.42 7cpaA1 PHE 106 HE2 0.28 0.04 -0.15 -0.04 7.38 7.51 7cpaA1 PHE 106 HZ 0.33 0.03 -0.11 -0.04 7.32 7.52 7cpaA1 LEU 107 H 0.17 0.71 0.29 -0.55 8.37 8.99 7cpaA1 LEU 107 HA -0.13 0.26 1.06 -0.75 4.35 4.78 7cpaA1 LEU 107 HB2 0.30 0.05 -0.14 -0.04 1.64 1.81 7cpaA1 LEU 107 HB3 0.35 -0.00 0.17 -0.04 1.64 2.12 7cpaA1 LEU 107 HG 0.06 -0.11 -0.26 -0.04 1.64 1.29 7cpaA1 LEU 107 HD13 0.13 0.01 -0.09 -0.04 0.93 0.94 7cpaA1 LEU 107 HD23 0.01 0.04 -0.06 -0.04 0.89 0.84 7cpaA1 GLU 108 H -0.38 0.69 0.34 -0.55 8.60 8.70 7cpaA1 GLU 108 HA -0.03 0.20 1.10 -0.75 4.29 4.80 7cpaA1 GLU 108 HB2 -0.23 0.03 0.04 -0.04 2.09 1.89 7cpaA1 GLU 108 HB3 -0.11 -0.09 0.29 -0.04 1.99 2.04 7cpaA1 GLU 108 HG2 0.09 -0.15 -0.39 -0.04 2.34 1.84 7cpaA1 GLU 108 HG3 0.07 0.31 0.02 -0.04 2.34 2.70 7cpaA1 ILE 109 H 0.04 0.24 0.07 -0.55 8.25 8.05 7cpaA1 ILE 109 HA -0.01 0.06 0.33 -0.75 4.18 3.80 7cpaA1 ILE 109 HB 0.05 -0.01 0.04 -0.04 1.89 1.94 7cpaA1 ILE 109 HG12 0.01 -0.01 -0.21 -0.04 1.49 1.24 7cpaA1 ILE 109 HG13 0.05 0.02 -0.12 -0.04 1.21 1.12 7cpaA1 ILE 109 HG23 -0.05 -0.01 -0.11 -0.04 0.93 0.72 7cpaA1 ILE 109 HD13 0.09 0.01 -0.12 -0.04 0.88 0.83 7cpaA1 VAL 110 H 0.07 0.16 -0.09 -0.55 8.24 7.83 7cpaA1 VAL 110 HA -0.08 0.17 0.79 -0.75 4.13 4.26 7cpaA1 VAL 110 HB 0.19 0.02 0.13 -0.04 2.12 2.42 7cpaA1 VAL 110 HG13 -0.10 -0.02 -0.19 -0.04 0.97 0.62 7cpaA1 VAL 110 HG23 -0.12 0.01 -0.17 -0.04 0.95 0.63 7cpaA1 THR 111 H 0.06 0.49 -0.04 -0.55 8.28 8.24 7cpaA1 THR 111 HA 0.14 0.08 0.32 -0.75 4.39 4.17 7cpaA1 THR 111 HB 0.13 -0.06 -0.33 -0.04 4.32 4.01 7cpaA1 THR 111 HG23 0.25 -0.02 -0.04 -0.04 1.22 1.37 7cpaA1 ASN 112 H 0.10 0.22 -0.31 -0.55 8.53 7.98 7cpaA1 ASN 112 HA 0.13 0.09 0.85 -0.75 4.76 5.08 7cpaA1 ASN 112 HB2 0.13 0.06 -0.01 -0.04 2.88 3.03 7cpaA1 ASN 112 HB3 0.16 0.26 0.10 -0.04 2.79 3.27 7cpaA1 ASN 112 HD21 0.26 0.40 -0.05 -0.04 7.03 7.60 7cpaA1 ASN 112 HD22 0.19 0.22 0.07 -0.04 7.74 8.19 7cpaA1 PRO 113 HA 0.22 0.10 0.47 -0.51 4.44 4.72 7cpaA1 PRO 113 HB2 0.12 0.02 0.00 -0.04 2.28 2.38 7cpaA1 PRO 113 HB3 0.17 0.13 0.06 -0.04 2.02 2.35 7cpaA1 PRO 113 HG2 0.11 -0.17 0.05 -0.04 2.03 1.98 7cpaA1 PRO 113 HG3 0.13 0.27 -0.05 -0.04 2.03 2.33 7cpaA1 PRO 113 HD2 0.12 0.04 0.11 -0.04 3.68 3.91 7cpaA1 PRO 113 HD3 0.13 0.44 -0.25 -0.04 3.65 3.92 7cpaA1 ASN 114 H 0.15 0.09 -0.06 -0.55 8.53 8.16 7cpaA1 ASN 114 HA 0.11 0.16 0.39 -0.75 4.76 4.66 7cpaA1 ASN 114 HB2 0.12 -0.10 0.07 -0.04 2.88 2.93 7cpaA1 ASN 114 HB3 0.06 0.14 -0.02 -0.04 2.79 2.93 7cpaA1 ASN 114 HD21 0.16 -0.53 0.08 -0.04 7.03 6.69 7cpaA1 ASN 114 HD22 0.17 0.04 0.05 -0.04 7.74 7.96 7cpaA1 GLY 115 H 0.23 0.03 -0.17 -0.55 8.43 7.98 7cpaA1 GLY 115 HA2 0.39 0.09 0.40 -0.51 4.01 4.38 7cpaA1 GLY 115 HA3 0.44 0.20 0.24 -0.51 4.01 4.38 7cpaA1 PHE 116 H 0.39 0.32 -0.29 -0.55 8.34 8.20 7cpaA1 PHE 116 HA 0.29 0.13 0.36 -0.75 4.62 4.64 7cpaA1 PHE 116 HB2 0.14 0.12 0.12 -0.04 3.15 3.49 7cpaA1 PHE 116 HB3 0.09 0.02 0.15 -0.04 3.06 3.28 7cpaA1 PHE 116 HD2 0.06 0.04 0.01 -0.04 7.28 7.34 7cpaA1 PHE 116 HE2 -0.45 -0.05 -0.17 -0.04 7.38 6.67 7cpaA1 PHE 116 HZ -0.26 0.17 -0.01 -0.04 7.32 7.17 7cpaA1 ALA 117 H 0.22 0.63 -0.09 -0.55 8.40 8.61 7cpaA1 ALA 117 HA -0.05 -0.01 0.48 -0.75 4.34 4.00 7cpaA1 ALA 117 HB3 0.06 0.01 0.12 -0.04 1.41 1.56 7cpaA1 PHE 118 H 0.26 0.46 -0.33 -0.55 8.34 8.17 7cpaA1 PHE 118 HA -0.05 0.00 0.43 -0.75 4.62 4.24 7cpaA1 PHE 118 HB2 -0.15 0.06 0.12 -0.04 3.15 3.14 7cpaA1 PHE 118 HB3 -0.08 0.16 0.09 -0.04 3.06 3.19 7cpaA1 PHE 118 HD2 -0.31 0.03 -0.02 -0.04 7.28 6.94 7cpaA1 PHE 118 HE2 -0.38 0.02 -0.03 -0.04 7.38 6.95 7cpaA1 PHE 118 HZ -0.32 0.05 -0.04 -0.04 7.32 6.96 7cpaA1 THR 119 H 0.24 0.41 -0.31 -0.55 8.28 8.08 7cpaA1 THR 119 HA 0.08 0.23 0.16 -0.75 4.39 4.11 7cpaA1 THR 119 HB 0.17 -0.03 0.11 -0.04 4.32 4.53 7cpaA1 THR 119 HG23 0.34 -0.00 -0.13 -0.04 1.22 1.38 7cpaA1 HIS 120 H 0.10 0.30 -0.48 -0.55 8.41 7.79 7cpaA1 HIS 120 HA 0.14 0.13 0.62 -0.75 4.63 4.76 7cpaA1 HIS 120 HB2 -0.16 0.07 0.17 -0.04 3.26 3.31 7cpaA1 HIS 120 HB3 -0.09 -0.04 0.05 -0.04 3.20 3.08 7cpaA1 HIS 120 HD2 -1.05 0.36 0.05 -0.04 6.97 6.28 7cpaA1 HIS 120 HE1 -0.71 0.06 -0.22 -0.04 7.75 6.84 7cpaA1 SER 121 H -0.03 0.21 -0.13 -0.55 8.46 7.96 7cpaA1 SER 121 HA -0.04 0.20 0.76 -0.75 4.49 4.66 7cpaA1 SER 121 HB2 -0.07 -0.04 0.10 -0.04 3.95 3.90 7cpaA1 SER 121 HB3 -0.05 -0.02 -0.00 -0.04 3.93 3.81 7cpaA1 GLU 122 H -0.44 0.42 0.14 -0.55 8.60 8.17 7cpaA1 GLU 122 HA -0.24 0.26 1.03 -0.75 4.29 4.59 7cpaA1 GLU 122 HB2 -1.41 -0.03 0.07 -0.04 2.09 0.68 7cpaA1 GLU 122 HB3 -0.45 -0.02 0.03 -0.04 1.99 1.50 7cpaA1 GLU 122 HG2 -0.16 0.21 -0.14 -0.04 2.34 2.21 7cpaA1 GLU 122 HG3 -0.20 -0.09 -0.31 -0.04 2.34 1.70 7cpaA1 ASN 123 H -0.58 0.45 0.08 -0.55 8.53 7.94 7cpaA1 ASN 123 HA -0.12 0.16 0.82 -0.75 4.76 4.86 7cpaA1 ASN 123 HB2 -0.15 0.10 -0.27 -0.04 2.88 2.52 7cpaA1 ASN 123 HB3 0.06 -0.05 0.06 -0.04 2.79 2.82 7cpaA1 ASN 123 HD21 0.24 0.02 -0.07 -0.04 7.03 7.17 7cpaA1 ASN 123 HD22 0.36 0.03 -0.05 -0.04 7.74 8.03 7cpaA1 ARG 124 H -0.11 0.20 0.07 -0.55 8.46 8.08 7cpaA1 ARG 124 HA -0.14 0.26 0.43 -0.75 4.34 4.14 7cpaA1 ARG 124 HB2 -0.20 -0.01 0.13 -0.04 1.90 1.78 7cpaA1 ARG 124 HB3 -0.29 -0.03 -0.05 -0.04 1.80 1.39 7cpaA1 ARG 124 HG2 -0.55 0.15 0.13 -0.04 1.67 1.36 7cpaA1 ARG 124 HG3 -0.40 0.01 0.06 -0.04 1.67 1.29 7cpaA1 ARG 124 HD2 -1.97 -0.01 0.03 -0.04 3.22 1.23 7cpaA1 ARG 124 HD3 -0.72 -0.03 0.01 -0.04 3.22 2.45 7cpaA1 LEU 125 H -0.02 0.03 -0.44 -0.55 8.37 7.39 7cpaA1 LEU 125 HA -0.18 0.28 0.95 -0.75 4.35 4.65 7cpaA1 LEU 125 HB2 -0.01 -0.00 0.05 -0.04 1.64 1.64 7cpaA1 LEU 125 HB3 -0.08 -0.02 0.18 -0.04 1.64 1.67 7cpaA1 LEU 125 HG -0.07 -0.04 -0.12 -0.04 1.64 1.37 7cpaA1 LEU 125 HD13 0.02 0.01 -0.00 -0.04 0.93 0.92 7cpaA1 LEU 125 HD23 -0.01 0.03 -0.06 -0.04 0.89 0.81 7cpaA1 TRP 126 H 0.24 0.44 -0.35 -0.55 7.97 7.76 7cpaA1 TRP 126 HA 0.05 0.03 0.50 -0.75 4.62 4.45 7cpaA1 TRP 126 HB2 0.32 0.08 0.05 -0.04 3.23 3.64 7cpaA1 TRP 126 HB3 0.23 0.04 0.01 -0.04 3.23 3.47 7cpaA1 TRP 126 HD1 0.16 -0.08 -0.14 -0.04 7.22 7.12 7cpaA1 TRP 126 HE1 -0.03 0.21 -0.33 -0.04 10.20 10.01 7cpaA1 TRP 126 HE3 0.21 -0.00 -0.02 -0.04 7.59 7.73 7cpaA1 TRP 126 HZ2 -0.09 0.14 -0.14 -0.04 7.44 7.31 7cpaA1 TRP 126 HZ3 0.05 0.01 0.01 -0.04 7.13 7.16 7cpaA1 TRP 126 HH2 -0.05 0.14 0.06 -0.04 7.19 7.30 7cpaA1 ARG 127 H -0.97 0.09 0.24 -0.55 8.46 7.27 7cpaA1 ARG 127 HA -0.18 -0.05 0.82 -0.75 4.34 4.18 7cpaA1 ARG 127 HB2 -0.36 0.05 0.04 -0.04 1.90 1.60 7cpaA1 ARG 127 HB3 -0.45 0.03 0.21 -0.04 1.80 1.54 7cpaA1 ARG 127 HG2 -0.20 -0.01 -0.26 -0.04 1.67 1.16 7cpaA1 ARG 127 HG3 -0.53 -0.10 0.02 -0.04 1.67 1.01 7cpaA1 ARG 127 HD2 -0.31 0.00 0.01 -0.04 3.22 2.88 7cpaA1 ARG 127 HD3 -0.26 0.02 0.07 -0.04 3.22 3.01 7cpaA1 LYS 128 H -1.08 0.03 0.16 -0.55 8.42 6.97 7cpaA1 LYS 128 HA 0.01 0.04 0.42 -0.75 4.32 4.03 7cpaA1 LYS 128 HB2 -0.37 0.11 0.06 -0.04 1.87 1.64 7cpaA1 LYS 128 HB3 0.03 -0.15 -0.10 -0.04 1.79 1.53 7cpaA1 LYS 128 HG2 -0.09 -0.04 -0.17 -0.04 1.46 1.13 7cpaA1 LYS 128 HG3 -0.38 -0.09 0.06 -0.04 1.46 1.01 7cpaA1 LYS 128 HD2 0.05 -0.13 -0.52 -0.04 1.69 1.05 7cpaA1 LYS 128 HD3 -0.05 0.01 -0.09 -0.04 1.68 1.51 7cpaA1 LYS 128 HE2 -0.32 -0.17 -0.03 -0.04 2.99 2.43 7cpaA1 LYS 128 HE3 -0.02 0.14 0.03 -0.04 2.99 3.10 7cpaA1 THR 129 H 0.12 0.46 0.34 -0.55 8.28 8.64 7cpaA1 THR 129 HA 0.21 0.10 0.80 -0.75 4.39 4.75 7cpaA1 THR 129 HB 0.06 -0.18 0.31 -0.04 4.32 4.47 7cpaA1 THR 129 HG23 0.07 0.05 0.17 -0.04 1.22 1.47 7cpaA1 ARG 130 H 0.04 0.01 0.11 -0.55 8.46 8.07 7cpaA1 ARG 130 HA -0.01 0.41 1.02 -0.75 4.34 5.01 7cpaA1 ARG 130 HB2 -0.01 -0.11 -0.01 -0.04 1.90 1.73 7cpaA1 ARG 130 HB3 -0.20 0.12 0.12 -0.04 1.80 1.79 7cpaA1 ARG 130 HG2 -0.01 -0.25 -0.33 -0.04 1.67 1.04 7cpaA1 ARG 130 HG3 -0.21 0.07 -0.13 -0.04 1.67 1.36 7cpaA1 ARG 130 HD2 -0.06 0.08 -0.50 -0.04 3.22 2.69 7cpaA1 ARG 130 HD3 -0.67 0.05 -0.21 -0.04 3.22 2.35 7cpaA1 SER 131 H -0.19 -0.10 -0.00 -0.55 8.46 7.62 7cpaA1 SER 131 HA -1.66 0.07 0.51 -0.75 4.49 2.65 7cpaA1 SER 131 HB2 -0.14 -0.10 -0.00 -0.04 3.95 3.67 7cpaA1 SER 131 HB3 -0.25 0.15 -0.12 -0.04 3.93 3.66 7cpaA1 VAL 132 H -0.47 0.17 0.16 -0.55 8.24 7.55 7cpaA1 VAL 132 HA -0.08 0.17 1.01 -0.75 4.13 4.48 7cpaA1 VAL 132 HB 0.09 -0.04 0.15 -0.04 2.12 2.28 7cpaA1 VAL 132 HG13 0.01 0.01 -0.30 -0.04 0.97 0.65 7cpaA1 VAL 132 HG23 -0.01 0.04 -0.07 -0.04 0.95 0.88 7cpaA1 THR 133 H -0.02 0.34 0.07 -0.55 8.28 8.12 7cpaA1 THR 133 HA 0.02 0.05 0.64 -0.75 4.39 4.34 7cpaA1 THR 133 HB -0.04 0.19 0.22 -0.04 4.32 4.65 7cpaA1 THR 133 HG23 -0.03 -0.05 0.02 -0.04 1.22 1.12 7cpaA1 SER 134 H 0.03 0.22 0.06 -0.55 8.46 8.22 7cpaA1 SER 134 HA 0.01 0.19 0.35 -0.75 4.49 4.29 7cpaA1 SER 134 HB2 0.02 0.04 0.08 -0.04 3.95 4.05 7cpaA1 SER 134 HB3 0.03 0.02 0.05 -0.04 3.93 3.99 7cpaA1 SER 135 H 0.01 -0.09 -0.54 -0.55 8.46 7.29 7cpaA1 SER 135 HA 0.00 0.11 0.51 -0.75 4.49 4.36 7cpaA1 SER 135 HB2 -0.02 -0.00 -0.05 -0.04 3.95 3.83 7cpaA1 SER 135 HB3 -0.00 0.03 0.07 -0.04 3.93 3.98 7cpaA1 SER 136 H -0.02 0.37 -0.15 -0.55 8.46 8.11 7cpaA1 SER 136 HA -0.02 0.26 1.06 -0.75 4.49 5.04 7cpaA1 SER 136 HB2 -0.06 0.23 0.05 -0.04 3.95 4.12 7cpaA1 SER 136 HB3 -0.05 -0.29 0.16 -0.04 3.93 3.71 7cpaA1 LEU 137 H -0.02 0.09 0.16 -0.55 8.37 8.06 7cpaA1 LEU 137 HA -0.01 0.23 0.79 -0.75 4.35 4.61 7cpaA1 LEU 137 HB2 -0.00 -0.01 0.10 -0.04 1.64 1.69 7cpaA1 LEU 137 HB3 0.00 -0.01 0.01 -0.04 1.64 1.60 7cpaA1 LEU 137 HG -0.00 0.04 0.02 -0.04 1.64 1.66 7cpaA1 LEU 137 HD13 0.00 -0.00 0.01 -0.04 0.93 0.90 7cpaA1 LEU 137 HD23 -0.00 0.01 0.12 -0.04 0.89 0.97 7cpaA1 CYS 138 H -0.02 -0.08 -0.05 -0.55 8.50 7.80 7cpaA1 CYS 138 HA 0.05 0.07 0.57 -0.75 4.58 4.52 7cpaA1 CYS 138 HB2 -0.07 -0.13 -0.17 -0.04 2.97 2.56 7cpaA1 CYS 138 HB3 -0.00 0.26 -0.12 -0.04 2.97 3.07 7cpaA1 VAL 139 H 0.14 0.12 0.19 -0.55 8.24 8.15 7cpaA1 VAL 139 HA 0.02 0.05 0.88 -0.75 4.13 4.32 7cpaA1 VAL 139 HB -0.04 -0.04 0.10 -0.04 2.12 2.10 7cpaA1 VAL 139 HG13 -0.13 0.03 -0.18 -0.04 0.97 0.65 7cpaA1 VAL 139 HG23 -0.06 0.05 -0.16 -0.04 0.95 0.74 7cpaA1 GLY 140 H 0.03 0.56 0.12 -0.55 8.43 8.59 7cpaA1 GLY 140 HA2 0.08 -0.32 0.16 -0.51 4.01 3.41 7cpaA1 GLY 140 HA3 0.30 0.27 0.18 -0.51 4.01 4.26 7cpaA1 VAL 141 H 0.08 -0.06 0.18 -0.55 8.24 7.89 7cpaA1 VAL 141 HA 0.16 0.30 0.75 -0.75 4.13 4.59 7cpaA1 VAL 141 HB -0.02 -0.19 -0.00 -0.04 2.12 1.87 7cpaA1 VAL 141 HG13 -0.16 0.04 -0.39 -0.04 0.97 0.42 7cpaA1 VAL 141 HG23 0.03 -0.02 -0.28 -0.04 0.95 0.65 7cpaA1 ASP 142 H 0.03 0.57 0.07 -0.55 8.40 8.52 7cpaA1 ASP 142 HA 0.11 0.02 0.64 -0.75 4.63 4.66 7cpaA1 ASP 142 HB2 0.04 0.25 0.12 -0.04 2.71 3.07 7cpaA1 ASP 142 HB3 0.08 0.09 -0.04 -0.04 2.70 2.78 7cpaA1 ALA 143 H 0.15 0.25 0.20 -0.55 8.40 8.46 7cpaA1 ALA 143 HA 0.07 0.05 0.28 -0.75 4.34 3.99 7cpaA1 ALA 143 HB3 0.10 0.02 0.08 -0.04 1.41 1.57 7cpaA1 ASN 144 H 0.25 0.12 -0.35 -0.55 8.53 8.00 7cpaA1 ASN 144 HA 0.39 0.11 0.83 -0.75 4.76 5.34 7cpaA1 ASN 144 HB2 0.05 -0.03 -0.01 -0.04 2.88 2.84 7cpaA1 ASN 144 HB3 0.38 0.10 -0.02 -0.04 2.79 3.22 7cpaA1 ASN 144 HD21 -0.04 -0.08 0.00 -0.04 7.03 6.87 7cpaA1 ASN 144 HD22 0.14 0.11 -0.02 -0.04 7.74 7.93 7cpaA1 ARG 145 H 0.23 0.40 -0.48 -0.55 8.46 8.05 7cpaA1 ARG 145 HA 0.19 0.32 0.41 -0.75 4.34 4.51 7cpaA1 ARG 145 HB2 0.09 0.07 -0.10 -0.04 1.90 1.92 7cpaA1 ARG 145 HB3 0.08 -0.05 0.15 -0.04 1.80 1.93 7cpaA1 ARG 145 HG2 0.13 -0.17 -0.22 -0.04 1.67 1.37 7cpaA1 ARG 145 HG3 0.05 0.08 0.04 -0.04 1.67 1.80 7cpaA1 ARG 145 HD2 0.06 0.11 0.25 -0.04 3.22 3.59 7cpaA1 ARG 145 HD3 0.08 0.09 0.16 -0.04 3.22 3.51 7cpaA1 ASN 146 H 0.34 0.16 -0.03 -0.55 8.53 8.46 7cpaA1 ASN 146 HA 0.30 0.31 0.72 -0.75 4.76 5.33 7cpaA1 ASN 146 HB2 0.01 0.11 0.06 -0.04 2.88 3.02 7cpaA1 ASN 146 HB3 -0.18 0.03 0.14 -0.04 2.79 2.74 7cpaA1 ASN 146 HD21 -0.23 -0.18 0.21 -0.04 7.03 6.79 7cpaA1 ASN 146 HD22 0.05 0.71 0.23 -0.04 7.74 8.69 7cpaA1 TRP 147 H 0.63 0.52 -0.05 -0.55 7.97 8.53 7cpaA1 TRP 147 HA -0.21 0.06 0.60 -0.75 4.62 4.32 7cpaA1 TRP 147 HB2 0.05 0.08 -0.46 -0.04 3.23 2.86 7cpaA1 TRP 147 HB3 -0.17 -0.02 -0.13 -0.04 3.23 2.87 7cpaA1 TRP 147 HD1 0.03 0.07 0.12 -0.04 7.22 7.41 7cpaA1 TRP 147 HE1 0.03 0.14 0.10 -0.04 10.20 10.43 7cpaA1 TRP 147 HE3 -1.22 0.03 -0.05 -0.04 7.59 6.31 7cpaA1 TRP 147 HZ2 0.08 -0.00 -0.01 -0.04 7.44 7.47 7cpaA1 TRP 147 HZ3 -0.78 0.06 -0.08 -0.04 7.13 6.29 7cpaA1 TRP 147 HH2 0.03 0.03 -0.02 -0.04 7.19 7.19 7cpaA1 ASP 148 H -0.01 0.19 0.02 -0.55 8.40 8.06 7cpaA1 ASP 148 HA 0.11 0.08 0.47 -0.75 4.63 4.54 7cpaA1 ASP 148 HB2 -0.05 0.01 0.03 -0.04 2.71 2.66 7cpaA1 ASP 148 HB3 0.19 0.05 0.18 -0.04 2.70 3.08 7cpaA1 ALA 149 H 0.16 0.53 -0.17 -0.55 8.40 8.37 7cpaA1 ALA 149 HA 0.00 0.21 0.58 -0.75 4.34 4.39 7cpaA1 ALA 149 HB3 0.21 0.01 -0.20 -0.04 1.41 1.39 7cpaA1 GLY 150 H -0.36 0.25 0.04 -0.55 8.43 7.81 7cpaA1 GLY 150 HA2 -0.43 0.11 0.30 -0.51 4.01 3.48 7cpaA1 GLY 150 HA3 -1.03 0.03 0.52 -0.51 4.01 3.03 7cpaA1 PHE 151 H 0.05 -0.00 -0.24 -0.55 8.34 7.60 7cpaA1 PHE 151 HA -0.08 0.11 0.12 -0.75 4.62 4.02 7cpaA1 PHE 151 HB2 -0.05 0.01 0.00 -0.04 3.15 3.07 7cpaA1 PHE 151 HB3 -0.08 -0.02 0.01 -0.04 3.06 2.92 7cpaA1 PHE 151 HD2 -0.09 0.05 -0.21 -0.04 7.28 6.99 7cpaA1 PHE 151 HE2 -0.15 0.16 -0.18 -0.04 7.38 7.17 7cpaA1 PHE 151 HZ -0.15 0.14 -0.64 -0.04 7.32 6.63 7cpaA1 GLY 152 H -0.87 0.20 0.04 -0.55 8.43 7.26 7cpaA1 GLY 152 HA2 -0.83 -0.02 0.27 -0.51 4.01 2.91 7cpaA1 GLY 152 HA3 -0.48 0.11 0.47 -0.51 4.01 3.60 7cpaA1 LYS 153 H -0.15 0.32 -0.47 -0.55 8.42 7.56 7cpaA1 LYS 153 HA -0.03 0.04 0.44 -0.75 4.32 4.02 7cpaA1 LYS 153 HB2 -0.06 0.05 -0.00 -0.04 1.87 1.81 7cpaA1 LYS 153 HB3 0.00 0.05 0.06 -0.04 1.79 1.85 7cpaA1 LYS 153 HG2 0.01 -0.02 0.05 -0.04 1.46 1.46 7cpaA1 LYS 153 HG3 0.07 0.00 0.08 -0.04 1.46 1.57 7cpaA1 LYS 153 HD2 0.02 -0.95 0.31 -0.04 1.69 1.03 7cpaA1 LYS 153 HD3 0.03 -0.00 0.10 -0.04 1.68 1.77 7cpaA1 LYS 153 HE2 0.04 -0.11 0.06 -0.04 2.99 2.95 7cpaA1 LYS 153 HE3 0.08 0.05 0.12 -0.04 2.99 3.19 7cpaA1 ALA 154 H 0.01 0.07 0.14 -0.55 8.40 8.08 7cpaA1 ALA 154 HA 0.01 0.03 0.44 -0.75 4.34 4.07 7cpaA1 ALA 154 HB3 0.02 0.01 0.11 -0.04 1.41 1.50 7cpaA1 GLY 155 H -0.00 0.13 0.19 -0.55 8.43 8.20 7cpaA1 GLY 155 HA2 0.00 0.10 0.18 -0.51 4.01 3.78 7cpaA1 GLY 155 HA3 0.05 0.09 0.70 -0.51 4.01 4.34 7cpaA1 ALA 156 H 0.01 0.33 0.15 -0.55 8.40 8.34 7cpaA1 ALA 156 HA -0.00 0.15 0.66 -0.75 4.34 4.39 7cpaA1 ALA 156 HB3 0.04 0.04 -0.01 -0.04 1.41 1.44 7cpaA1 SER 157 H -0.07 0.56 0.17 -0.55 8.46 8.58 7cpaA1 SER 157 HA -0.05 0.24 1.00 -0.75 4.49 4.93 7cpaA1 SER 157 HB2 -0.04 0.06 -0.06 -0.04 3.95 3.87 7cpaA1 SER 157 HB3 -0.02 -0.03 -0.14 -0.04 3.93 3.69 7cpaA1 SER 158 H -0.05 0.19 0.15 -0.55 8.46 8.20 7cpaA1 SER 158 HA -0.25 0.17 0.79 -0.75 4.49 4.46 7cpaA1 SER 158 HB2 0.02 0.00 0.12 -0.04 3.95 4.06 7cpaA1 SER 158 HB3 0.04 0.02 0.02 -0.04 3.93 3.96 7cpaA1 SER 159 H -0.04 0.01 -0.13 -0.55 8.46 7.75 7cpaA1 SER 159 HA -0.14 0.28 0.83 -0.75 4.49 4.70 7cpaA1 SER 159 HB2 -0.09 -0.13 0.03 -0.04 3.95 3.71 7cpaA1 SER 159 HB3 -0.11 0.02 0.03 -0.04 3.93 3.83 7cpaA1 PRO 160 HA -1.58 0.11 0.32 -0.51 4.44 2.78 7cpaA1 PRO 160 HB2 -0.27 0.01 -0.03 -0.04 2.28 1.94 7cpaA1 PRO 160 HB3 -0.48 0.05 0.04 -0.04 2.02 1.59 7cpaA1 PRO 160 HG2 -0.21 0.03 0.04 -0.04 2.03 1.84 7cpaA1 PRO 160 HG3 -0.49 0.06 0.03 -0.04 2.03 1.60 7cpaA1 PRO 160 HD2 -0.22 0.06 0.17 -0.04 3.68 3.66 7cpaA1 PRO 160 HD3 -0.24 0.32 0.35 -0.04 3.65 4.03 7cpaA1 CYS 161 H -0.18 -0.00 -0.46 -0.55 8.50 7.31 7cpaA1 CYS 161 HA -0.06 0.20 0.58 -0.75 4.58 4.54 7cpaA1 CYS 161 HB2 -0.07 -0.03 0.00 -0.04 2.97 2.83 7cpaA1 CYS 161 HB3 -0.04 0.03 0.07 -0.04 2.97 3.00 7cpaA1 SER 162 H -0.10 0.34 -0.35 -0.55 8.46 7.80 7cpaA1 SER 162 HA -0.05 0.14 0.51 -0.75 4.49 4.34 7cpaA1 SER 162 HB2 -0.04 0.03 0.04 -0.04 3.95 3.94 7cpaA1 SER 162 HB3 -0.02 0.23 0.07 -0.04 3.93 4.17 7cpaA1 GLU 163 H -0.07 0.19 0.16 -0.55 8.60 8.34 7cpaA1 GLU 163 HA -0.15 0.15 0.51 -0.75 4.29 4.04 7cpaA1 GLU 163 HB2 -0.09 -0.00 0.11 -0.04 2.09 2.07 7cpaA1 GLU 163 HB3 -0.15 -0.01 0.11 -0.04 1.99 1.89 7cpaA1 GLU 163 HG2 -0.10 0.03 0.07 -0.04 2.34 2.30 7cpaA1 GLU 163 HG3 -0.10 0.04 0.06 -0.04 2.34 2.30 7cpaA1 THR 164 H -0.03 -0.03 -0.46 -0.55 8.28 7.20 7cpaA1 THR 164 HA 0.01 0.16 0.56 -0.75 4.39 4.36 7cpaA1 THR 164 HB -0.06 -0.06 -0.03 -0.04 4.32 4.13 7cpaA1 THR 164 HG23 -0.03 0.01 -0.05 -0.04 1.22 1.10 7cpaA1 TYR 165 H 0.09 0.40 -0.45 -0.55 8.29 7.78 7cpaA1 TYR 165 HA -0.19 0.18 0.58 -0.75 4.56 4.37 7cpaA1 TYR 165 HB2 -0.10 0.23 0.08 -0.04 3.06 3.24 7cpaA1 TYR 165 HB3 -0.07 0.07 0.10 -0.04 2.98 3.04 7cpaA1 TYR 165 HD2 -0.15 0.22 -0.16 -0.04 7.15 7.02 7cpaA1 TYR 165 HE2 -0.06 0.07 -0.17 -0.04 6.85 6.64 7cpaA1 HIS 166 H -0.73 0.51 0.28 -0.55 8.41 7.92 7cpaA1 HIS 166 HA -0.15 0.08 0.18 -0.75 4.63 3.98 7cpaA1 HIS 166 HB2 -0.41 0.04 0.06 -0.04 3.26 2.92 7cpaA1 HIS 166 HB3 -0.27 -0.02 0.08 -0.04 3.20 2.95 7cpaA1 HIS 166 HD2 -0.26 -0.03 -0.22 -0.04 6.97 6.41 7cpaA1 HIS 166 HE1 0.02 -0.01 -0.03 -0.04 7.75 7.69 7cpaA1 GLY 167 H -1.86 0.04 -0.30 -0.55 8.43 5.75 7cpaA1 GLY 167 HA2 -0.49 -0.03 0.24 -0.51 4.01 3.22 7cpaA1 GLY 167 HA3 -0.18 0.17 0.85 -0.51 4.01 4.34 7cpaA1 LYS 168 H -0.08 0.07 0.10 -0.55 8.42 7.96 7cpaA1 LYS 168 HA 0.23 0.15 0.43 -0.75 4.32 4.37 7cpaA1 LYS 168 HB2 0.08 -0.03 0.08 -0.04 1.87 1.96 7cpaA1 LYS 168 HB3 0.26 0.05 0.05 -0.04 1.79 2.11 7cpaA1 LYS 168 HG2 0.18 0.05 0.01 -0.04 1.46 1.67 7cpaA1 LYS 168 HG3 0.18 -0.09 -0.00 -0.04 1.46 1.50 7cpaA1 LYS 168 HD2 0.13 -0.01 0.02 -0.04 1.69 1.79 7cpaA1 LYS 168 HD3 0.16 0.05 0.01 -0.04 1.68 1.85 7cpaA1 LYS 168 HE2 0.11 0.01 0.01 -0.04 2.99 3.07 7cpaA1 LYS 168 HE3 0.10 -0.06 0.02 -0.04 2.99 3.01 7cpaA1 TYR 169 H -0.32 0.15 -0.06 -0.55 8.29 7.51 7cpaA1 TYR 169 HA -0.19 0.14 0.32 -0.75 4.56 4.07 7cpaA1 TYR 169 HB2 -0.23 0.01 0.06 -0.04 3.06 2.86 7cpaA1 TYR 169 HB3 -0.07 0.15 0.00 -0.04 2.98 3.01 7cpaA1 TYR 169 HD2 -0.10 0.15 -0.33 -0.04 7.15 6.83 7cpaA1 TYR 169 HE2 -0.05 0.04 -0.10 -0.04 6.85 6.70 7cpaA1 ALA 170 H -0.92 0.14 0.04 -0.55 8.40 7.11 7cpaA1 ALA 170 HA -0.89 0.17 0.48 -0.75 4.34 3.34 7cpaA1 ALA 170 HB3 -0.54 -0.01 -0.04 -0.04 1.41 0.78 7cpaA1 ASN 171 H -0.36 0.82 0.38 -0.55 8.53 8.83 7cpaA1 ASN 171 HA -0.43 -0.09 0.33 -0.75 4.76 3.82 7cpaA1 ASN 171 HB2 -0.17 0.29 0.12 -0.04 2.88 3.09 7cpaA1 ASN 171 HB3 -0.25 -0.07 0.19 -0.04 2.79 2.62 7cpaA1 ASN 171 HD21 -0.25 -0.04 -0.05 -0.04 7.03 6.65 7cpaA1 ASN 171 HD22 -0.15 0.10 -0.11 -0.04 7.74 7.54 7cpaA1 SER 172 H -0.44 0.38 -0.17 -0.55 8.46 7.70 7cpaA1 SER 172 HA -0.41 0.17 0.40 -0.75 4.49 3.90 7cpaA1 SER 172 HB2 -0.68 -0.03 0.08 -0.04 3.95 3.28 7cpaA1 SER 172 HB3 -1.48 0.06 0.08 -0.04 3.93 2.55 7cpaA1 GLU 173 H -0.25 0.06 -0.23 -0.55 8.60 7.64 7cpaA1 GLU 173 HA -0.09 0.11 0.60 -0.75 4.29 4.15 7cpaA1 GLU 173 HB2 -0.17 -0.02 0.14 -0.04 2.09 2.00 7cpaA1 GLU 173 HB3 -0.06 -0.11 0.08 -0.04 1.99 1.86 7cpaA1 GLU 173 HG2 -0.14 0.09 0.01 -0.04 2.34 2.27 7cpaA1 GLU 173 HG3 -0.06 0.02 -0.04 -0.04 2.34 2.23 7cpaA1 VAL 174 H 0.00 0.17 0.25 -0.55 8.24 8.11 7cpaA1 VAL 174 HA -0.07 0.16 0.34 -0.75 4.13 3.81 7cpaA1 VAL 174 HB -0.00 0.12 0.11 -0.04 2.12 2.30 7cpaA1 VAL 174 HG13 0.02 0.04 0.10 -0.04 0.97 1.09 7cpaA1 VAL 174 HG23 0.06 -0.00 0.02 -0.04 0.95 0.99 7cpaA1 GLU 175 H -0.02 -0.04 -0.15 -0.55 8.60 7.85 7cpaA1 GLU 175 HA -0.01 0.22 0.64 -0.75 4.29 4.38 7cpaA1 GLU 175 HB2 0.05 0.20 0.17 -0.04 2.09 2.47 7cpaA1 GLU 175 HB3 0.05 0.05 0.14 -0.04 1.99 2.19 7cpaA1 GLU 175 HG2 0.04 0.00 0.09 -0.04 2.34 2.43 7cpaA1 GLU 175 HG3 0.08 0.05 0.19 -0.04 2.34 2.62 7cpaA1 VAL 176 H -0.21 0.30 -0.32 -0.55 8.24 7.47 7cpaA1 VAL 176 HA -0.50 0.14 0.76 -0.75 4.13 3.77 7cpaA1 VAL 176 HB -0.51 0.04 0.16 -0.04 2.12 1.77 7cpaA1 VAL 176 HG13 -1.86 0.01 -0.13 -0.04 0.97 -1.06 7cpaA1 VAL 176 HG23 -0.29 -0.01 0.03 -0.04 0.95 0.63 7cpaA1 LYS 177 H -0.28 0.57 0.11 -0.55 8.42 8.26 7cpaA1 LYS 177 HA -0.33 -0.00 0.39 -0.75 4.32 3.62 7cpaA1 LYS 177 HB2 -0.17 0.20 0.09 -0.04 1.87 1.95 7cpaA1 LYS 177 HB3 -0.11 0.01 0.09 -0.04 1.79 1.74 7cpaA1 LYS 177 HG2 -0.10 -0.09 0.04 -0.04 1.46 1.27 7cpaA1 LYS 177 HG3 -0.12 0.01 0.07 -0.04 1.46 1.38 7cpaA1 LYS 177 HD2 -0.04 0.01 -0.02 -0.04 1.69 1.60 7cpaA1 LYS 177 HD3 -0.03 0.01 -0.06 -0.04 1.68 1.55 7cpaA1 LYS 177 HE2 -0.03 0.03 -0.01 -0.04 2.99 2.94 7cpaA1 LYS 177 HE3 -0.02 0.01 -0.01 -0.04 2.99 2.93 7cpaA1 SER 178 H -0.11 0.52 -0.24 -0.55 8.46 8.08 7cpaA1 SER 178 HA -0.01 0.08 0.40 -0.75 4.49 4.20 7cpaA1 SER 178 HB2 -0.00 -0.03 -0.07 -0.04 3.95 3.80 7cpaA1 SER 178 HB3 0.02 0.07 -0.21 -0.04 3.93 3.77 7cpaA1 ILE 179 H -0.11 0.24 -0.30 -0.55 8.25 7.54 7cpaA1 ILE 179 HA -0.06 0.08 0.56 -0.75 4.18 4.00 7cpaA1 ILE 179 HB -0.07 0.07 0.14 -0.04 1.89 1.98 7cpaA1 ILE 179 HG12 0.28 -0.01 -0.02 -0.04 1.49 1.70 7cpaA1 ILE 179 HG13 0.11 0.08 0.04 -0.04 1.21 1.40 7cpaA1 ILE 179 HG23 -0.32 -0.01 -0.15 -0.04 0.93 0.41 7cpaA1 ILE 179 HD13 0.48 -0.03 0.03 -0.04 0.88 1.33 7cpaA1 VAL 180 H -0.36 0.49 -0.01 -0.55 8.24 7.81 7cpaA1 VAL 180 HA -0.20 -0.01 0.39 -0.75 4.13 3.56 7cpaA1 VAL 180 HB -0.34 0.10 0.17 -0.04 2.12 2.01 7cpaA1 VAL 180 HG13 -0.07 0.01 -0.11 -0.04 0.97 0.75 7cpaA1 VAL 180 HG23 -1.19 -0.01 -0.00 -0.04 0.95 -0.29 7cpaA1 ASP 181 H -0.05 0.69 -0.10 -0.55 8.40 8.39 7cpaA1 ASP 181 HA 0.05 0.01 0.36 -0.75 4.63 4.29 7cpaA1 ASP 181 HB2 0.05 0.10 0.12 -0.04 2.71 2.93 7cpaA1 ASP 181 HB3 0.06 -0.01 0.00 -0.04 2.70 2.71 7cpaA1 PHE 182 H 0.17 0.29 -0.35 -0.55 8.34 7.90 7cpaA1 PHE 182 HA 0.08 0.05 0.38 -0.75 4.62 4.38 7cpaA1 PHE 182 HB2 0.06 0.09 0.15 -0.04 3.15 3.41 7cpaA1 PHE 182 HB3 -0.03 0.01 0.21 -0.04 3.06 3.21 7cpaA1 PHE 182 HD2 0.03 0.01 -0.11 -0.04 7.28 7.17 7cpaA1 PHE 182 HE2 0.03 -0.00 -0.10 -0.04 7.38 7.26 7cpaA1 PHE 182 HZ 0.06 0.02 -0.10 -0.04 7.32 7.26 7cpaA1 VAL 183 H 0.08 0.75 0.01 -0.55 8.24 8.53 7cpaA1 VAL 183 HA 0.05 0.00 0.47 -0.75 4.13 3.90 7cpaA1 VAL 183 HB 0.19 0.06 0.09 -0.04 2.12 2.42 7cpaA1 VAL 183 HG13 0.04 -0.01 -0.14 -0.04 0.97 0.82 7cpaA1 VAL 183 HG23 -0.60 -0.01 -0.01 -0.04 0.95 0.29 7cpaA1 LYS 184 H 0.16 0.57 -0.10 -0.55 8.42 8.51 7cpaA1 LYS 184 HA 0.12 0.02 0.32 -0.75 4.32 4.02 7cpaA1 LYS 184 HB2 0.10 0.04 0.11 -0.04 1.87 2.07 7cpaA1 LYS 184 HB3 0.09 -0.02 -0.01 -0.04 1.79 1.81 7cpaA1 LYS 184 HG2 0.30 0.21 0.09 -0.04 1.46 2.03 7cpaA1 LYS 184 HG3 0.19 -0.08 -0.01 -0.04 1.46 1.52 7cpaA1 LYS 184 HD2 0.15 -0.01 -0.04 -0.04 1.69 1.75 7cpaA1 LYS 184 HD3 0.39 -0.09 -0.02 -0.04 1.68 1.93 7cpaA1 LYS 184 HE2 0.10 -0.05 -0.00 -0.04 2.99 3.00 7cpaA1 LYS 184 HE3 0.06 0.05 0.02 -0.04 2.99 3.08 7cpaA1 ASN 185 H 0.04 0.58 -0.16 -0.55 8.53 8.45 7cpaA1 ASN 185 HA 0.01 -0.01 0.36 -0.75 4.76 4.38 7cpaA1 ASN 185 HB2 0.02 -0.11 0.11 -0.04 2.88 2.86 7cpaA1 ASN 185 HB3 -0.00 0.30 0.26 -0.04 2.79 3.31 7cpaA1 ASN 185 HD21 -0.11 -0.08 -0.07 -0.04 7.03 6.72 7cpaA1 ASN 185 HD22 -0.23 0.10 0.09 -0.04 7.74 7.66 7cpaA1 HIS 186 H 0.00 0.44 -0.26 -0.55 8.41 8.05 7cpaA1 HIS 186 HA -0.14 -0.02 0.34 -0.75 4.63 4.05 7cpaA1 HIS 186 HB2 -0.45 0.03 0.11 -0.04 3.26 2.91 7cpaA1 HIS 186 HB3 0.07 0.05 0.20 -0.04 3.20 3.47 7cpaA1 HIS 186 HD2 -0.33 -0.03 -0.06 -0.04 6.97 6.51 7cpaA1 HIS 186 HE1 -0.28 0.29 -0.24 -0.04 7.75 7.47 7cpaA1 GLY 187 H 0.22 0.48 -0.04 -0.55 8.43 8.54 7cpaA1 GLY 187 HA2 0.10 0.02 0.34 -0.51 4.01 3.97 7cpaA1 GLY 187 HA3 0.05 0.11 0.29 -0.51 4.01 3.95 7cpaA1 ASN 188 H 0.78 0.01 -0.52 -0.55 8.53 8.26 7cpaA1 ASN 188 HA 0.09 0.31 1.03 -0.75 4.76 5.43 7cpaA1 ASN 188 HB2 -0.01 0.09 -0.19 -0.04 2.88 2.73 7cpaA1 ASN 188 HB3 0.15 0.03 -0.10 -0.04 2.79 2.83 7cpaA1 ASN 188 HD21 0.01 -0.07 0.03 -0.04 7.03 6.96 7cpaA1 ASN 188 HD22 0.00 0.35 -0.13 -0.04 7.74 7.92 7cpaA1 PHE 189 H 0.23 0.10 -0.15 -0.55 8.34 7.98 7cpaA1 PHE 189 HA 0.11 0.11 0.80 -0.75 4.62 4.89 7cpaA1 PHE 189 HB2 0.06 0.01 0.04 -0.04 3.15 3.23 7cpaA1 PHE 189 HB3 0.18 -0.00 -0.08 -0.04 3.06 3.12 7cpaA1 PHE 189 HD2 0.06 0.09 -0.09 -0.04 7.28 7.30 7cpaA1 PHE 189 HE2 -0.06 0.03 -0.26 -0.04 7.38 7.06 7cpaA1 PHE 189 HZ -0.54 -0.01 -0.14 -0.04 7.32 6.59 7cpaA1 LYS 190 H 0.28 0.72 0.46 -0.55 8.42 9.32 7cpaA1 LYS 190 HA 0.18 0.16 0.81 -0.75 4.32 4.73 7cpaA1 LYS 190 HB2 0.19 0.05 0.10 -0.04 1.87 2.17 7cpaA1 LYS 190 HB3 0.25 -0.06 -0.02 -0.04 1.79 1.92 7cpaA1 LYS 190 HG2 0.12 0.06 0.02 -0.04 1.46 1.62 7cpaA1 LYS 190 HG3 0.16 -0.01 0.08 -0.04 1.46 1.64 7cpaA1 LYS 190 HD2 0.12 0.07 -0.40 -0.04 1.69 1.43 7cpaA1 LYS 190 HD3 0.10 0.03 -0.11 -0.04 1.68 1.66 7cpaA1 LYS 190 HE2 0.06 0.01 0.03 -0.04 2.99 3.05 7cpaA1 LYS 190 HE3 0.07 -0.02 0.01 -0.04 2.99 3.01 7cpaA1 ALA 191 H 0.40 0.30 0.32 -0.55 8.40 8.88 7cpaA1 ALA 191 HA 0.40 0.17 0.76 -0.75 4.34 4.92 7cpaA1 ALA 191 HB3 0.35 0.01 -0.01 -0.04 1.41 1.71 7cpaA1 PHE 192 H 0.46 0.70 0.21 -0.55 8.34 9.16 7cpaA1 PHE 192 HA 0.42 0.11 0.90 -0.75 4.62 5.29 7cpaA1 PHE 192 HB2 0.14 0.06 -0.25 -0.04 3.15 3.05 7cpaA1 PHE 192 HB3 0.15 -0.05 0.07 -0.04 3.06 3.19 7cpaA1 PHE 192 HD2 0.01 0.01 -0.21 -0.04 7.28 7.05 7cpaA1 PHE 192 HE2 -0.29 -0.06 -0.18 -0.04 7.38 6.80 7cpaA1 PHE 192 HZ -0.16 -0.06 -0.12 -0.04 7.32 6.95 7cpaA1 LEU 193 H 0.22 0.73 0.24 -0.55 8.37 9.02 7cpaA1 LEU 193 HA 0.41 0.33 1.13 -0.75 4.35 5.47 7cpaA1 LEU 193 HB2 0.25 0.18 0.26 -0.04 1.64 2.28 7cpaA1 LEU 193 HB3 0.30 -0.09 0.04 -0.04 1.64 1.84 7cpaA1 LEU 193 HG 0.48 -0.04 -0.04 -0.04 1.64 2.00 7cpaA1 LEU 193 HD13 0.45 -0.00 -0.15 -0.04 0.93 1.18 7cpaA1 LEU 193 HD23 0.23 0.00 -0.08 -0.04 0.89 1.01 7cpaA1 SER 194 H 0.35 0.57 0.36 -0.55 8.46 9.19 7cpaA1 SER 194 HA 0.25 0.17 1.10 -0.75 4.49 5.26 7cpaA1 SER 194 HB2 0.35 -0.01 -0.11 -0.04 3.95 4.14 7cpaA1 SER 194 HB3 0.27 -0.06 0.10 -0.04 3.93 4.21 7cpaA1 ILE 195 H 0.24 0.64 0.36 -0.55 8.25 8.95 7cpaA1 ILE 195 HA 0.37 0.16 1.04 -0.75 4.18 5.00 7cpaA1 ILE 195 HB 0.15 0.00 0.24 -0.04 1.89 2.24 7cpaA1 ILE 195 HG12 0.34 -0.04 -0.13 -0.04 1.49 1.63 7cpaA1 ILE 195 HG13 0.25 -0.01 -0.17 -0.04 1.21 1.23 7cpaA1 ILE 195 HG23 0.15 -0.01 -0.05 -0.04 0.93 0.98 7cpaA1 ILE 195 HD13 0.14 0.02 -0.09 -0.04 0.88 0.91 7cpaA1 HIS 196 H 0.38 0.87 0.48 -0.55 8.41 9.60 7cpaA1 HIS 196 HA 0.20 0.03 0.89 -0.75 4.63 4.99 7cpaA1 HIS 196 HB2 0.17 0.14 0.05 -0.04 3.26 3.58 7cpaA1 HIS 196 HB3 0.19 0.06 0.10 -0.04 3.20 3.51 7cpaA1 HIS 196 HD2 0.39 0.08 -0.01 -0.04 6.97 7.38 7cpaA1 HIS 196 HE1 0.06 -0.07 -0.12 -0.04 7.75 7.57 7cpaA1 SER 197 H 0.28 0.29 0.27 -0.55 8.46 8.75 7cpaA1 SER 197 HA 0.19 0.00 0.26 -0.75 4.49 4.18 7cpaA1 SER 197 HB2 0.24 0.23 0.03 -0.04 3.95 4.41 7cpaA1 SER 197 HB3 0.22 -0.01 -0.01 -0.04 3.93 4.10 7cpaA1 TYR 198 H -0.63 0.11 0.06 -0.55 8.29 7.28 7cpaA1 TYR 198 HA 0.05 0.16 0.18 -0.75 4.56 4.19 7cpaA1 TYR 198 HB2 -0.05 0.08 -0.26 -0.04 3.06 2.79 7cpaA1 TYR 198 HB3 -0.05 0.09 -0.16 -0.04 2.98 2.82 7cpaA1 TYR 198 HD2 -0.41 0.11 -0.36 -0.04 7.15 6.45 7cpaA1 TYR 198 HE2 -0.74 0.07 -0.14 -0.04 6.85 6.00 7cpaA1 SER 199 H 0.10 0.44 0.17 -0.55 8.46 8.63 7cpaA1 SER 199 HA 0.06 -0.03 0.29 -0.75 4.49 4.05 7cpaA1 SER 199 HB2 -0.13 -0.03 0.02 -0.04 3.95 3.77 7cpaA1 SER 199 HB3 -0.11 0.01 -0.03 -0.04 3.93 3.76 7cpaA1 GLN 200 H -0.11 0.29 -0.06 -0.55 8.47 8.04 7cpaA1 GLN 200 HA -0.91 0.17 0.39 -0.75 4.36 3.25 7cpaA1 GLN 200 HB2 -0.26 0.18 0.12 -0.04 2.15 2.15 7cpaA1 GLN 200 HB3 -0.75 0.09 0.17 -0.04 2.02 1.49 7cpaA1 GLN 200 HG2 -0.15 -0.05 -0.13 -0.04 2.40 2.03 7cpaA1 GLN 200 HG3 -0.09 -0.06 -0.27 -0.04 2.39 1.92 7cpaA1 GLN 200 HE21 0.03 -0.11 0.03 -0.04 6.97 6.88 7cpaA1 GLN 200 HE22 -0.03 0.58 0.11 -0.04 7.69 8.31 7cpaA1 LEU 201 H -0.17 0.22 0.19 -0.55 8.37 8.07 7cpaA1 LEU 201 HA -0.02 0.27 1.03 -0.75 4.35 4.88 7cpaA1 LEU 201 HB2 -0.06 -0.14 -0.10 -0.04 1.64 1.30 7cpaA1 LEU 201 HB3 -0.05 0.06 -0.14 -0.04 1.64 1.47 7cpaA1 LEU 201 HG -0.12 -0.08 -0.51 -0.04 1.64 0.89 7cpaA1 LEU 201 HD13 -0.14 -0.01 -0.22 -0.04 0.93 0.52 7cpaA1 LEU 201 HD23 -0.09 0.03 -0.11 -0.04 0.89 0.68 7cpaA1 LEU 202 H 0.16 0.73 0.37 -0.55 8.37 9.09 7cpaA1 LEU 202 HA -0.13 0.17 0.97 -0.75 4.35 4.60 7cpaA1 LEU 202 HB2 0.04 0.02 0.03 -0.04 1.64 1.68 7cpaA1 LEU 202 HB3 0.04 -0.06 0.05 -0.04 1.64 1.63 7cpaA1 LEU 202 HG -0.88 -0.02 -0.06 -0.04 1.64 0.63 7cpaA1 LEU 202 HD13 -0.34 0.01 -0.06 -0.04 0.93 0.50 7cpaA1 LEU 202 HD23 -0.56 0.03 -0.14 -0.04 0.89 0.18 7cpaA1 LEU 203 H 0.00 0.59 0.26 -0.55 8.37 8.68 7cpaA1 LEU 203 HA -0.16 0.43 0.83 -0.75 4.35 4.69 7cpaA1 LEU 203 HB2 -0.03 0.13 0.08 -0.04 1.64 1.78 7cpaA1 LEU 203 HB3 -0.07 -0.11 -0.08 -0.04 1.64 1.34 7cpaA1 LEU 203 HG -0.14 -0.06 -0.15 -0.04 1.64 1.24 7cpaA1 LEU 203 HD13 -0.12 0.03 -0.39 -0.04 0.93 0.41 7cpaA1 LEU 203 HD23 -0.11 -0.01 -0.16 -0.04 0.89 0.57 7cpaA1 TYR 204 H -0.56 0.41 0.25 -0.55 8.29 7.83 7cpaA1 TYR 204 HA -0.20 0.27 0.84 -0.75 4.56 4.72 7cpaA1 TYR 204 HB2 -0.42 0.08 0.19 -0.04 3.06 2.86 7cpaA1 TYR 204 HB3 -0.35 0.05 -0.01 -0.04 2.98 2.63 7cpaA1 TYR 204 HD2 -0.04 0.18 -0.21 -0.04 7.15 7.05 7cpaA1 TYR 204 HE2 0.04 0.00 -0.07 -0.04 6.85 6.78 7cpaA1 PRO 205 HA -0.09 -0.15 0.49 -0.51 4.44 4.18 7cpaA1 PRO 205 HB2 -0.99 0.04 0.06 -0.04 2.28 1.35 7cpaA1 PRO 205 HB3 -0.40 -0.06 0.10 -0.04 2.02 1.63 7cpaA1 PRO 205 HG2 -0.45 0.14 0.12 -0.04 2.03 1.79 7cpaA1 PRO 205 HG3 -0.13 -0.04 -0.16 -0.04 2.03 1.67 7cpaA1 PRO 205 HD2 -0.38 0.13 0.26 -0.04 3.68 3.64 7cpaA1 PRO 205 HD3 -0.20 0.42 0.28 -0.04 3.65 4.10 7cpaA1 TYR 206 H -0.03 0.23 0.19 -0.55 8.29 8.13 7cpaA1 TYR 206 HA -0.11 -0.05 0.48 -0.75 4.56 4.14 7cpaA1 TYR 206 HB2 -0.27 0.31 0.08 -0.04 3.06 3.15 7cpaA1 TYR 206 HB3 -0.39 -0.28 0.13 -0.04 2.98 2.40 7cpaA1 TYR 206 HD2 -0.10 0.08 -0.01 -0.04 7.15 7.08 7cpaA1 TYR 206 HE2 0.08 0.10 -0.06 -0.04 6.85 6.93 7cpaA1 GLY 207 H 0.16 0.09 0.23 -0.55 8.43 8.36 7cpaA1 GLY 207 HA2 0.04 0.12 0.99 -0.51 4.01 4.64 7cpaA1 GLY 207 HA3 0.10 0.14 0.43 -0.51 4.01 4.17 7cpaA1 TYR 208 H -0.00 -0.07 0.15 -0.55 8.29 7.82 7cpaA1 TYR 208 HA 0.01 0.25 0.54 -0.75 4.56 4.60 7cpaA1 TYR 208 HB2 -0.02 0.07 0.15 -0.04 3.06 3.23 7cpaA1 TYR 208 HB3 0.01 -0.03 0.15 -0.04 2.98 3.07 7cpaA1 TYR 208 HD2 -0.05 -0.03 -0.04 -0.04 7.15 6.99 7cpaA1 TYR 208 HE2 -0.17 0.03 -0.08 -0.04 6.85 6.59 7cpaA1 THR 209 H -0.29 0.12 -0.24 -0.55 8.28 7.33 7cpaA1 THR 209 HA -0.08 0.18 0.72 -0.75 4.39 4.46 7cpaA1 THR 209 HB -0.43 0.06 -0.20 -0.04 4.32 3.71 7cpaA1 THR 209 HG23 -0.65 0.02 -0.10 -0.04 1.22 0.45 7cpaA1 THR 210 H -0.03 0.17 0.08 -0.55 8.28 7.95 7cpaA1 THR 210 HA -0.01 0.12 0.60 -0.75 4.39 4.34 7cpaA1 THR 210 HB -0.00 0.03 0.03 -0.04 4.32 4.34 7cpaA1 THR 210 HG23 -0.00 0.01 -0.05 -0.04 1.22 1.13 7cpaA1 GLN 211 H -0.03 -0.04 -0.15 -0.55 8.47 7.71 7cpaA1 GLN 211 HA 0.02 0.02 0.55 -0.75 4.36 4.20 7cpaA1 GLN 211 HB2 0.00 -0.02 0.08 -0.04 2.15 2.18 7cpaA1 GLN 211 HB3 -0.00 -0.07 0.02 -0.04 2.02 1.92 7cpaA1 GLN 211 HG2 0.05 -0.03 -0.03 -0.04 2.40 2.34 7cpaA1 GLN 211 HG3 0.08 0.23 -0.25 -0.04 2.39 2.41 7cpaA1 GLN 211 HE21 0.02 -0.04 0.02 -0.04 6.97 6.93 7cpaA1 GLN 211 HE22 0.04 0.21 -0.02 -0.04 7.69 7.88 7cpaA1 SER 212 H 0.02 0.07 0.16 -0.55 8.46 8.16 7cpaA1 SER 212 HA -0.00 0.06 0.56 -0.75 4.49 4.36 7cpaA1 SER 212 HB2 0.00 -0.02 0.04 -0.04 3.95 3.93 7cpaA1 SER 212 HB3 -0.02 0.03 0.06 -0.04 3.93 3.96 7cpaA1 ILE 213 H -0.15 0.10 0.15 -0.55 8.25 7.80 7cpaA1 ILE 213 HA -0.14 0.18 0.53 -0.75 4.18 4.00 7cpaA1 ILE 213 HB -0.51 0.00 0.05 -0.04 1.89 1.39 7cpaA1 ILE 213 HG12 -0.29 0.10 0.11 -0.04 1.49 1.37 7cpaA1 ILE 213 HG13 -0.26 -0.24 -0.09 -0.04 1.21 0.58 7cpaA1 ILE 213 HG23 -1.10 0.02 -0.13 -0.04 0.93 -0.32 7cpaA1 ILE 213 HD13 -0.59 0.02 -0.08 -0.04 0.88 0.19 7cpaA1 PRO 214 HA -0.00 0.09 0.48 -0.51 4.44 4.49 7cpaA1 PRO 214 HB2 0.03 0.05 -0.03 -0.04 2.28 2.28 7cpaA1 PRO 214 HB3 0.01 0.05 0.10 -0.04 2.02 2.14 7cpaA1 PRO 214 HG2 0.06 0.08 0.07 -0.04 2.03 2.20 7cpaA1 PRO 214 HG3 0.05 0.06 0.08 -0.04 2.03 2.18 7cpaA1 PRO 214 HD2 0.18 0.10 0.20 -0.04 3.68 4.11 7cpaA1 PRO 214 HD3 0.09 0.19 0.21 -0.04 3.65 4.10 7cpaA1 ASP 215 H -0.00 0.12 -0.36 -0.55 8.40 7.61 7cpaA1 ASP 215 HA -0.04 0.22 0.84 -0.75 4.63 4.91 7cpaA1 ASP 215 HB2 -0.02 0.05 0.05 -0.04 2.71 2.75 7cpaA1 ASP 215 HB3 -0.05 -0.04 0.18 -0.04 2.70 2.74 7cpaA1 LYS 216 H -0.10 0.50 -0.39 -0.55 8.42 7.87 7cpaA1 LYS 216 HA -0.35 0.03 0.26 -0.75 4.32 3.51 7cpaA1 LYS 216 HB2 -0.10 0.01 0.16 -0.04 1.87 1.91 7cpaA1 LYS 216 HB3 -0.06 0.04 0.09 -0.04 1.79 1.81 7cpaA1 LYS 216 HG2 -0.03 0.02 -0.20 -0.04 1.46 1.21 7cpaA1 LYS 216 HG3 -0.12 -0.05 0.07 -0.04 1.46 1.32 7cpaA1 LYS 216 HD2 0.02 0.03 0.04 -0.04 1.69 1.73 7cpaA1 LYS 216 HD3 0.09 0.02 0.01 -0.04 1.68 1.75 7cpaA1 LYS 216 HE2 0.42 -0.02 0.06 -0.04 2.99 3.41 7cpaA1 LYS 216 HE3 0.06 -0.10 0.15 -0.04 2.99 3.05 7cpaA1 THR 217 H -0.06 0.17 -0.22 -0.55 8.28 7.62 7cpaA1 THR 217 HA -0.04 0.06 0.31 -0.75 4.39 3.98 7cpaA1 THR 217 HB -0.02 0.01 0.08 -0.04 4.32 4.35 7cpaA1 THR 217 HG23 -0.00 0.02 -0.12 -0.04 1.22 1.07 7cpaA1 GLU 218 H -0.04 0.13 -0.19 -0.55 8.60 7.95 7cpaA1 GLU 218 HA 0.00 0.08 0.48 -0.75 4.29 4.10 7cpaA1 GLU 218 HB2 0.03 -0.01 0.10 -0.04 2.09 2.18 7cpaA1 GLU 218 HB3 0.01 0.08 0.11 -0.04 1.99 2.14 7cpaA1 GLU 218 HG2 0.13 -0.03 -0.22 -0.04 2.34 2.18 7cpaA1 GLU 218 HG3 0.13 -0.01 0.04 -0.04 2.34 2.46 7cpaA1 LEU 219 H -0.17 0.53 -0.05 -0.55 8.37 8.14 7cpaA1 LEU 219 HA 0.06 0.03 0.40 -0.75 4.35 4.09 7cpaA1 LEU 219 HB2 -0.53 0.06 0.08 -0.04 1.64 1.21 7cpaA1 LEU 219 HB3 -0.63 -0.04 -0.04 -0.04 1.64 0.89 7cpaA1 LEU 219 HG -0.24 -0.03 0.05 -0.04 1.64 1.38 7cpaA1 LEU 219 HD13 -0.07 0.03 -0.06 -0.04 0.93 0.79 7cpaA1 LEU 219 HD23 -0.44 0.06 0.10 -0.04 0.89 0.57 7cpaA1 ASN 220 H -0.23 0.61 -0.20 -0.55 8.53 8.16 7cpaA1 ASN 220 HA 0.15 -0.00 0.49 -0.75 4.76 4.64 7cpaA1 ASN 220 HB2 -0.04 0.05 0.11 -0.04 2.88 2.95 7cpaA1 ASN 220 HB3 -0.00 0.11 0.11 -0.04 2.79 2.97 7cpaA1 ASN 220 HD21 0.23 -0.01 -0.06 -0.04 7.03 7.15 7cpaA1 ASN 220 HD22 0.10 0.05 -0.15 -0.04 7.74 7.69 7cpaA1 GLN 221 H -0.05 0.45 -0.19 -0.55 8.47 8.14 7cpaA1 GLN 221 HA -0.05 0.03 0.61 -0.75 4.36 4.19 7cpaA1 GLN 221 HB2 -0.03 0.19 0.22 -0.04 2.15 2.49 7cpaA1 GLN 221 HB3 -0.04 -0.01 -0.03 -0.04 2.02 1.90 7cpaA1 GLN 221 HG2 0.00 -0.02 0.02 -0.04 2.40 2.36 7cpaA1 GLN 221 HG3 0.00 -0.00 0.02 -0.04 2.39 2.37 7cpaA1 GLN 221 HE21 -0.02 -0.01 0.00 -0.04 6.97 6.90 7cpaA1 GLN 221 HE22 -0.02 0.03 -0.01 -0.04 7.69 7.64 7cpaA1 VAL 222 H -0.10 0.55 -0.02 -0.55 8.24 8.11 7cpaA1 VAL 222 HA -0.22 0.05 0.59 -0.75 4.13 3.80 7cpaA1 VAL 222 HB 0.05 0.05 0.08 -0.04 2.12 2.26 7cpaA1 VAL 222 HG13 -0.29 -0.01 -0.10 -0.04 0.97 0.54 7cpaA1 VAL 222 HG23 -0.56 0.08 0.01 -0.04 0.95 0.44 7cpaA1 ALA 223 H -0.05 0.62 -0.22 -0.55 8.40 8.21 7cpaA1 ALA 223 HA -0.30 -0.01 0.31 -0.75 4.34 3.59 7cpaA1 ALA 223 HB3 0.08 0.02 0.04 -0.04 1.41 1.51 7cpaA1 LYS 224 H -0.42 0.61 -0.18 -0.55 8.42 7.88 7cpaA1 LYS 224 HA -0.78 -0.01 0.39 -0.75 4.32 3.18 7cpaA1 LYS 224 HB2 -0.24 0.10 0.15 -0.04 1.87 1.84 7cpaA1 LYS 224 HB3 -0.16 0.12 0.19 -0.04 1.79 1.89 7cpaA1 LYS 224 HG2 -0.05 -0.02 -0.18 -0.04 1.46 1.17 7cpaA1 LYS 224 HG3 0.07 -0.03 0.01 -0.04 1.46 1.47 7cpaA1 LYS 224 HD2 0.03 -0.00 -0.01 -0.04 1.69 1.67 7cpaA1 LYS 224 HD3 -0.02 0.02 -0.01 -0.04 1.68 1.63 7cpaA1 LYS 224 HE2 0.03 -0.01 -0.03 -0.04 2.99 2.94 7cpaA1 LYS 224 HE3 0.07 -0.01 -0.02 -0.04 2.99 2.99 7cpaA1 SER 225 H -0.18 0.51 -0.22 -0.55 8.46 8.02 7cpaA1 SER 225 HA -0.09 0.02 0.53 -0.75 4.49 4.20 7cpaA1 SER 225 HB2 -0.13 0.13 0.11 -0.04 3.95 4.02 7cpaA1 SER 225 HB3 -0.09 -0.06 0.00 -0.04 3.93 3.74 7cpaA1 ALA 226 H -0.21 0.59 -0.18 -0.55 8.40 8.05 7cpaA1 ALA 226 HA -0.13 0.05 0.43 -0.75 4.34 3.94 7cpaA1 ALA 226 HB3 -0.18 0.01 0.08 -0.04 1.41 1.28 7cpaA1 VAL 227 H -0.18 0.61 -0.16 -0.55 8.24 7.96 7cpaA1 VAL 227 HA -0.12 -0.03 0.43 -0.75 4.13 3.65 7cpaA1 VAL 227 HB -0.15 0.23 0.13 -0.04 2.12 2.29 7cpaA1 VAL 227 HG13 0.19 -0.01 -0.11 -0.04 0.97 1.00 7cpaA1 VAL 227 HG23 0.04 -0.04 -0.12 -0.04 0.95 0.79 7cpaA1 ALA 228 H -0.08 0.39 -0.28 -0.55 8.40 7.88 7cpaA1 ALA 228 HA -0.01 0.05 0.54 -0.75 4.34 4.16 7cpaA1 ALA 228 HB3 -0.03 0.03 0.09 -0.04 1.41 1.45 7cpaA1 ALA 229 H -0.08 0.56 -0.10 -0.55 8.40 8.24 7cpaA1 ALA 229 HA -0.07 0.01 0.46 -0.75 4.34 3.99 7cpaA1 ALA 229 HB3 -0.10 0.03 0.02 -0.04 1.41 1.31 7cpaA1 LEU 230 H -0.09 0.49 -0.24 -0.55 8.37 7.98 7cpaA1 LEU 230 HA -0.08 0.07 0.50 -0.75 4.35 4.10 7cpaA1 LEU 230 HB2 -0.13 0.00 0.10 -0.04 1.64 1.57 7cpaA1 LEU 230 HB3 -0.17 0.11 0.08 -0.04 1.64 1.62 7cpaA1 LEU 230 HG -0.07 -0.06 -0.22 -0.04 1.64 1.25 7cpaA1 LEU 230 HD13 -0.46 -0.03 -0.13 -0.04 0.93 0.26 7cpaA1 LEU 230 HD23 -0.04 -0.02 -0.39 -0.04 0.89 0.41 7cpaA1 LYS 231 H -0.04 0.56 -0.16 -0.55 8.42 8.23 7cpaA1 LYS 231 HA 0.03 -0.06 0.50 -0.75 4.32 4.04 7cpaA1 LYS 231 HB2 0.04 0.11 0.16 -0.04 1.87 2.15 7cpaA1 LYS 231 HB3 0.01 0.06 0.07 -0.04 1.79 1.89 7cpaA1 LYS 231 HG2 0.04 -0.12 -0.13 -0.04 1.46 1.20 7cpaA1 LYS 231 HG3 0.07 0.05 -0.62 -0.04 1.46 0.93 7cpaA1 LYS 231 HD2 0.07 -0.03 -0.06 -0.04 1.69 1.63 7cpaA1 LYS 231 HD3 0.04 -0.00 -0.06 -0.04 1.68 1.61 7cpaA1 LYS 231 HE2 0.04 -0.04 -0.05 -0.04 2.99 2.91 7cpaA1 LYS 231 HE3 0.04 -0.03 -0.07 -0.04 2.99 2.89 7cpaA1 SER 232 H -0.04 0.42 -0.46 -0.55 8.46 7.83 7cpaA1 SER 232 HA -0.03 -0.00 0.34 -0.75 4.49 4.04 7cpaA1 SER 232 HB2 -0.05 -0.08 0.08 -0.04 3.95 3.85 7cpaA1 SER 232 HB3 -0.04 0.04 0.13 -0.04 3.93 4.01 7cpaA1 LEU 233 H -0.11 0.32 -0.38 -0.55 8.37 7.65 7cpaA1 LEU 233 HA -0.24 0.14 0.46 -0.75 4.35 3.95 7cpaA1 LEU 233 HB2 -0.24 0.11 0.15 -0.04 1.64 1.61 7cpaA1 LEU 233 HB3 -0.82 -0.05 -0.03 -0.04 1.64 0.71 7cpaA1 LEU 233 HG -0.20 0.02 -0.03 -0.04 1.64 1.39 7cpaA1 LEU 233 HD13 -0.45 -0.02 -0.15 -0.04 0.93 0.27 7cpaA1 LEU 233 HD23 -0.41 0.00 0.02 -0.04 0.89 0.46 7cpaA1 TYR 234 H -0.05 0.09 0.09 -0.55 8.29 7.88 7cpaA1 TYR 234 HA 0.01 0.26 0.93 -0.75 4.56 5.01 7cpaA1 TYR 234 HB2 0.02 -0.07 0.04 -0.04 3.06 3.01 7cpaA1 TYR 234 HB3 0.02 -0.01 0.16 -0.04 2.98 3.11 7cpaA1 TYR 234 HD2 0.00 0.03 0.02 -0.04 7.15 7.16 7cpaA1 TYR 234 HE2 -0.02 0.01 0.02 -0.04 6.85 6.82 7cpaA1 GLY 235 H 0.04 0.50 0.02 -0.55 8.43 8.45 7cpaA1 GLY 235 HA2 0.05 0.11 0.30 -0.51 4.01 3.96 7cpaA1 GLY 235 HA3 0.07 0.04 0.43 -0.51 4.01 4.04 7cpaA1 THR 236 H 0.12 -0.03 -0.20 -0.55 8.28 7.63 7cpaA1 THR 236 HA 0.12 0.03 0.37 -0.75 4.39 4.16 7cpaA1 THR 236 HB 0.19 0.00 -0.00 -0.04 4.32 4.46 7cpaA1 THR 236 HG23 0.28 -0.01 -0.18 -0.04 1.22 1.27 7cpaA1 SER 237 H 0.12 0.10 0.22 -0.55 8.46 8.35 7cpaA1 SER 237 HA 0.15 0.14 0.78 -0.75 4.49 4.80 7cpaA1 SER 237 HB2 0.06 -0.07 0.14 -0.04 3.95 4.05 7cpaA1 SER 237 HB3 0.08 0.04 -0.10 -0.04 3.93 3.91 7cpaA1 TYR 238 H 0.26 0.22 0.20 -0.55 8.29 8.42 7cpaA1 TYR 238 HA 0.06 0.44 0.97 -0.75 4.56 5.27 7cpaA1 TYR 238 HB2 0.09 -0.02 0.00 -0.04 3.06 3.09 7cpaA1 TYR 238 HB3 0.09 0.01 -0.18 -0.04 2.98 2.87 7cpaA1 TYR 238 HD2 0.07 -0.04 -0.60 -0.04 7.15 6.55 7cpaA1 TYR 238 HE2 0.19 -0.05 -0.17 -0.04 6.85 6.78 7cpaA1 LYS 239 H 0.03 0.46 0.40 -0.55 8.42 8.76 7cpaA1 LYS 239 HA -0.02 0.17 0.93 -0.75 4.32 4.65 7cpaA1 LYS 239 HB2 -0.06 0.04 0.11 -0.04 1.87 1.92 7cpaA1 LYS 239 HB3 -0.11 0.02 0.10 -0.04 1.79 1.75 7cpaA1 LYS 239 HG2 -0.07 -0.01 0.03 -0.04 1.46 1.37 7cpaA1 LYS 239 HG3 -0.03 0.03 -0.10 -0.04 1.46 1.32 7cpaA1 LYS 239 HD2 -0.05 0.03 0.01 -0.04 1.69 1.63 7cpaA1 LYS 239 HD3 -0.03 -0.04 -0.03 -0.04 1.68 1.54 7cpaA1 LYS 239 HE2 -0.01 -0.05 -0.20 -0.04 2.99 2.69 7cpaA1 LYS 239 HE3 -0.06 0.13 0.10 -0.04 2.99 3.12 7cpaA1 TYR 240 H -0.45 0.29 0.22 -0.55 8.29 7.79 7cpaA1 TYR 240 HA -0.03 0.20 1.01 -0.75 4.56 4.98 7cpaA1 TYR 240 HB2 0.05 0.06 0.11 -0.04 3.06 3.24 7cpaA1 TYR 240 HB3 0.03 -0.04 -0.24 -0.04 2.98 2.69 7cpaA1 TYR 240 HD2 0.10 0.01 -0.24 -0.04 7.15 6.98 7cpaA1 TYR 240 HE2 0.05 0.01 -0.01 -0.04 6.85 6.86 7cpaA1 GLY 241 H -0.13 0.60 0.39 -0.55 8.43 8.75 7cpaA1 GLY 241 HA2 -0.16 -0.01 0.32 -0.51 4.01 3.65 7cpaA1 GLY 241 HA3 -0.20 0.16 0.61 -0.51 4.01 4.07 7cpaA1 SER 242 H -0.34 0.11 0.11 -0.55 8.46 7.79 7cpaA1 SER 242 HA -0.69 0.25 0.48 -0.75 4.49 3.78 7cpaA1 SER 242 HB2 -0.11 0.02 -0.10 -0.04 3.95 3.72 7cpaA1 SER 242 HB3 -0.06 0.03 0.09 -0.04 3.93 3.95 7cpaA1 ILE 243 H -0.16 0.43 0.11 -0.55 8.25 8.08 7cpaA1 ILE 243 HA -0.14 0.02 0.43 -0.75 4.18 3.72 7cpaA1 ILE 243 HB -0.02 -0.04 -0.23 -0.04 1.89 1.56 7cpaA1 ILE 243 HG12 -0.08 0.01 -0.08 -0.04 1.49 1.31 7cpaA1 ILE 243 HG13 -0.10 0.20 -0.10 -0.04 1.21 1.17 7cpaA1 ILE 243 HG23 -0.03 0.05 -0.07 -0.04 0.93 0.84 7cpaA1 ILE 243 HD13 0.01 -0.05 -0.17 -0.04 0.88 0.62 7cpaA1 ILE 244 H -0.04 0.46 -0.01 -0.55 8.25 8.11 7cpaA1 ILE 244 HA 0.01 0.10 -0.32 -0.75 4.18 3.21 7cpaA1 ILE 244 HB 0.01 0.04 -0.01 -0.04 1.89 1.89 7cpaA1 ILE 244 HG12 0.00 0.01 -0.24 -0.04 1.49 1.23 7cpaA1 ILE 244 HG13 0.03 -0.07 -0.09 -0.04 1.21 1.04 7cpaA1 ILE 244 HG23 -0.02 0.06 -0.05 -0.04 0.93 0.88 7cpaA1 ILE 244 HD13 0.01 0.02 -0.32 -0.04 0.88 0.55 7cpaA1 THR 245 H -0.07 0.02 -0.48 -0.55 8.28 7.21 7cpaA1 THR 245 HA -0.04 0.07 0.35 -0.75 4.39 4.01 7cpaA1 THR 245 HB -0.07 -0.12 0.01 -0.04 4.32 4.10 7cpaA1 THR 245 HG23 -0.10 0.04 -0.09 -0.04 1.22 1.02 7cpaA1 THR 246 H -0.12 0.37 -0.26 -0.55 8.28 7.71 7cpaA1 THR 246 HA -0.10 0.14 0.65 -0.75 4.39 4.32 7cpaA1 THR 246 HB -0.16 -0.01 -0.21 -0.04 4.32 3.90 7cpaA1 THR 246 HG23 -0.12 -0.02 -0.31 -0.04 1.22 0.73 7cpaA1 ILE 247 H -0.19 0.40 0.10 -0.55 8.25 8.01 7cpaA1 ILE 247 HA -0.22 0.29 1.18 -0.75 4.18 4.68 7cpaA1 ILE 247 HB -1.12 -0.02 -0.04 -0.04 1.89 0.67 7cpaA1 ILE 247 HG12 -0.30 -0.05 -0.09 -0.04 1.49 1.01 7cpaA1 ILE 247 HG13 -0.24 -0.04 -0.15 -0.04 1.21 0.75 7cpaA1 ILE 247 HG23 -0.42 -0.01 -0.04 -0.04 0.93 0.42 7cpaA1 ILE 247 HD13 -0.31 0.03 0.06 -0.04 0.88 0.62 7cpaA1 TYR 248 H -0.30 0.22 0.09 -0.55 8.29 7.75 7cpaA1 TYR 248 HA -0.02 0.20 0.17 -0.75 4.56 4.15 7cpaA1 TYR 248 HB2 -0.01 -0.08 0.11 -0.04 3.06 3.04 7cpaA1 TYR 248 HB3 -0.02 0.18 0.22 -0.04 2.98 3.31 7cpaA1 TYR 248 HD2 -0.01 0.12 -0.36 -0.04 7.15 6.86 7cpaA1 TYR 248 HE2 -0.01 -0.03 -0.10 -0.04 6.85 6.66 7cpaA1 GLN 249 H 0.15 0.10 0.12 -0.55 8.47 8.29 7cpaA1 GLN 249 HA 0.09 0.15 0.49 -0.75 4.36 4.34 7cpaA1 GLN 249 HB2 0.05 0.00 0.07 -0.04 2.15 2.24 7cpaA1 GLN 249 HB3 0.06 -0.06 0.11 -0.04 2.02 2.08 7cpaA1 GLN 249 HG2 0.06 -0.01 -0.42 -0.04 2.40 1.98 7cpaA1 GLN 249 HG3 0.06 0.07 -0.08 -0.04 2.39 2.40 7cpaA1 GLN 249 HE21 0.01 -0.01 -0.06 -0.04 6.97 6.86 7cpaA1 GLN 249 HE22 0.01 -0.02 -0.11 -0.04 7.69 7.52 7cpaA1 ALA 250 H 0.12 0.51 0.12 -0.55 8.40 8.60 7cpaA1 ALA 250 HA 0.11 0.25 0.80 -0.75 4.34 4.74 7cpaA1 ALA 250 HB3 0.20 -0.02 -0.07 -0.04 1.41 1.48 7cpaA1 SER 251 H 0.07 0.30 -0.12 -0.55 8.46 8.17 7cpaA1 SER 251 HA 0.16 0.04 0.95 -0.75 4.49 4.89 7cpaA1 SER 251 HB2 -0.03 0.22 0.04 -0.04 3.95 4.14 7cpaA1 SER 251 HB3 0.07 0.13 -0.12 -0.04 3.93 3.96 7cpaA1 GLY 252 H 0.04 0.52 0.13 -0.55 8.43 8.58 7cpaA1 GLY 252 HA2 0.20 0.07 0.18 -0.51 4.01 3.96 7cpaA1 GLY 252 HA3 0.20 0.20 0.24 -0.51 4.01 4.13 7cpaA1 GLY 253 H 0.15 0.06 -0.34 -0.55 8.43 7.75 7cpaA1 GLY 253 HA2 0.06 0.28 0.42 -0.51 4.01 4.26 7cpaA1 GLY 253 HA3 0.05 0.00 0.18 -0.51 4.01 3.74 7cpaA1 SER 254 H -0.42 0.20 0.12 -0.55 8.46 7.82 7cpaA1 SER 254 HA -1.30 0.07 0.18 -0.75 4.49 2.68 7cpaA1 SER 254 HB2 -1.31 0.07 -0.04 -0.04 3.95 2.63 7cpaA1 SER 254 HB3 -2.10 0.05 0.07 -0.04 3.93 1.90 7cpaA1 ILE 255 H -0.10 0.09 -0.23 -0.55 8.25 7.47 7cpaA1 ILE 255 HA -0.06 0.15 0.50 -0.75 4.18 4.02 7cpaA1 ILE 255 HB 0.03 -0.06 -0.07 -0.04 1.89 1.75 7cpaA1 ILE 255 HG12 0.13 0.05 -0.47 -0.04 1.49 1.17 7cpaA1 ILE 255 HG13 0.13 0.03 -0.05 -0.04 1.21 1.27 7cpaA1 ILE 255 HG23 0.00 0.01 -0.29 -0.04 0.93 0.61 7cpaA1 ILE 255 HD13 0.31 0.01 -0.25 -0.04 0.88 0.92 7cpaA1 ASP 256 H 0.07 0.13 -0.37 -0.55 8.40 7.68 7cpaA1 ASP 256 HA 0.25 0.12 0.58 -0.75 4.63 4.82 7cpaA1 ASP 256 HB2 0.25 0.14 0.07 -0.04 2.71 3.13 7cpaA1 ASP 256 HB3 0.51 0.04 -0.02 -0.04 2.70 3.19 7cpaA1 TRP 257 H 0.23 0.30 -0.24 -0.55 7.97 7.71 7cpaA1 TRP 257 HA 0.06 0.11 0.37 -0.75 4.62 4.42 7cpaA1 TRP 257 HB2 0.16 -0.11 -0.22 -0.04 3.23 3.01 7cpaA1 TRP 257 HB3 -0.09 0.09 0.05 -0.04 3.23 3.24 7cpaA1 TRP 257 HD1 0.09 0.19 -0.09 -0.04 7.22 7.37 7cpaA1 TRP 257 HE1 0.04 0.06 -0.04 -0.04 10.20 10.22 7cpaA1 TRP 257 HE3 -0.48 0.04 -0.07 -0.04 7.59 7.04 7cpaA1 TRP 257 HZ2 0.02 0.07 -0.04 -0.04 7.44 7.45 7cpaA1 TRP 257 HZ3 -0.28 0.00 -0.11 -0.04 7.13 6.70 7cpaA1 TRP 257 HH2 -0.02 0.06 -0.05 -0.04 7.19 7.14 7cpaA1 SER 258 H -0.13 0.48 -0.13 -0.55 8.46 8.14 7cpaA1 SER 258 HA -1.12 0.06 0.19 -0.75 4.49 2.86 7cpaA1 SER 258 HB2 -0.46 0.04 -0.08 -0.04 3.95 3.40 7cpaA1 SER 258 HB3 -1.29 -0.04 0.01 -0.04 3.93 2.56 7cpaA1 TYR 259 H -0.01 0.36 -0.30 -0.55 8.29 7.78 7cpaA1 TYR 259 HA -0.17 0.40 0.47 -0.75 4.56 4.50 7cpaA1 TYR 259 HB2 -0.15 0.05 0.19 -0.04 3.06 3.11 7cpaA1 TYR 259 HB3 -0.07 -0.02 0.15 -0.04 2.98 3.00 7cpaA1 TYR 259 HD2 -0.14 0.10 0.00 -0.04 7.15 7.07 7cpaA1 TYR 259 HE2 -0.20 -0.00 0.03 -0.04 6.85 6.64 7cpaA1 ASN 260 H -0.03 0.38 -0.32 -0.55 8.53 8.01 7cpaA1 ASN 260 HA -0.10 0.03 0.50 -0.75 4.76 4.44 7cpaA1 ASN 260 HB2 -0.02 0.08 0.19 -0.04 2.88 3.09 7cpaA1 ASN 260 HB3 -0.02 -0.03 0.09 -0.04 2.79 2.78 7cpaA1 ASN 260 HD21 0.28 -0.11 -0.01 -0.04 7.03 7.15 7cpaA1 ASN 260 HD22 0.15 -0.02 0.02 -0.04 7.74 7.85 7cpaA1 GLN 261 H -0.52 0.33 -0.39 -0.55 8.47 7.35 7cpaA1 GLN 261 HA -0.30 0.12 0.84 -0.75 4.36 4.26 7cpaA1 GLN 261 HB2 -0.55 0.03 -0.01 -0.04 2.15 1.58 7cpaA1 GLN 261 HB3 -0.35 -0.00 0.13 -0.04 2.02 1.76 7cpaA1 GLN 261 HG2 -1.62 0.23 -0.08 -0.04 2.40 0.89 7cpaA1 GLN 261 HG3 -1.55 -0.10 -0.07 -0.04 2.39 0.63 7cpaA1 GLN 261 HE21 -0.11 -0.02 -0.07 -0.04 6.97 6.72 7cpaA1 GLN 261 HE22 -0.81 0.01 -0.12 -0.04 7.69 6.73 7cpaA1 GLY 262 H -0.34 0.40 -0.49 -0.55 8.43 7.45 7cpaA1 GLY 262 HA2 -0.28 -0.04 0.23 -0.51 4.01 3.41 7cpaA1 GLY 262 HA3 -0.17 0.14 0.59 -0.51 4.01 4.06 7cpaA1 ILE 263 H -0.25 0.39 -0.17 -0.55 8.25 7.67 7cpaA1 ILE 263 HA -0.02 0.19 0.50 -0.75 4.18 4.09 7cpaA1 ILE 263 HB -0.08 -0.08 -0.18 -0.04 1.89 1.51 7cpaA1 ILE 263 HG12 0.08 0.27 -0.22 -0.04 1.49 1.57 7cpaA1 ILE 263 HG13 -0.13 0.04 -0.22 -0.04 1.21 0.86 7cpaA1 ILE 263 HG23 0.23 -0.02 -0.64 -0.04 0.93 0.46 7cpaA1 ILE 263 HD13 0.02 -0.05 -0.16 -0.04 0.88 0.64 7cpaA1 LYS 264 H -0.13 0.31 0.13 -0.55 8.42 8.17 7cpaA1 LYS 264 HA -0.15 0.02 0.38 -0.75 4.32 3.82 7cpaA1 LYS 264 HB2 -0.26 0.07 0.09 -0.04 1.87 1.73 7cpaA1 LYS 264 HB3 -0.49 0.08 0.18 -0.04 1.79 1.52 7cpaA1 LYS 264 HG2 -0.80 -0.04 -0.20 -0.04 1.46 0.38 7cpaA1 LYS 264 HG3 -0.22 -0.10 0.01 -0.04 1.46 1.11 7cpaA1 LYS 264 HD2 -0.19 0.02 0.03 -0.04 1.69 1.50 7cpaA1 LYS 264 HD3 -0.46 0.11 0.04 -0.04 1.68 1.32 7cpaA1 LYS 264 HE2 0.02 0.07 0.00 -0.04 2.99 3.05 7cpaA1 LYS 264 HE3 -0.06 -0.02 -0.04 -0.04 2.99 2.83 7cpaA1 TYR 265 H -0.04 0.38 -0.02 -0.55 8.29 8.06 7cpaA1 TYR 265 HA 0.07 0.09 0.69 -0.75 4.56 4.66 7cpaA1 TYR 265 HB2 0.25 0.09 0.28 -0.04 3.06 3.64 7cpaA1 TYR 265 HB3 0.41 -0.04 0.09 -0.04 2.98 3.39 7cpaA1 TYR 265 HD2 0.22 0.10 0.01 -0.04 7.15 7.44 7cpaA1 TYR 265 HE2 0.14 0.03 -0.04 -0.04 6.85 6.94 7cpaA1 SER 266 H -0.14 0.46 0.03 -0.55 8.46 8.26 7cpaA1 SER 266 HA 0.28 0.25 0.96 -0.75 4.49 5.23 7cpaA1 SER 266 HB2 -0.01 0.01 0.19 -0.04 3.95 4.10 7cpaA1 SER 266 HB3 0.06 -0.14 0.08 -0.04 3.93 3.89 7cpaA1 PHE 267 H 0.41 0.59 0.35 -0.55 8.34 9.14 7cpaA1 PHE 267 HA 0.11 0.31 1.09 -0.75 4.62 5.38 7cpaA1 PHE 267 HB2 0.20 -0.03 -0.02 -0.04 3.15 3.26 7cpaA1 PHE 267 HB3 -0.01 -0.01 -0.10 -0.04 3.06 2.91 7cpaA1 PHE 267 HD2 0.13 0.06 -0.30 -0.04 7.28 7.13 7cpaA1 PHE 267 HE2 0.17 0.02 -0.10 -0.04 7.38 7.42 7cpaA1 PHE 267 HZ 0.02 -0.02 -0.02 -0.04 7.32 7.26 7cpaA1 THR 268 H 0.17 0.54 0.28 -0.55 8.28 8.71 7cpaA1 THR 268 HA 0.29 0.24 1.17 -0.75 4.39 5.34 7cpaA1 THR 268 HB 0.03 -0.06 0.09 -0.04 4.32 4.34 7cpaA1 THR 268 HG23 -0.01 0.03 -0.20 -0.04 1.22 1.00 7cpaA1 PHE 269 H 0.51 0.24 0.20 -0.55 8.34 8.73 7cpaA1 PHE 269 HA 0.21 0.29 1.06 -0.75 4.62 5.43 7cpaA1 PHE 269 HB2 0.22 -0.10 0.12 -0.04 3.15 3.34 7cpaA1 PHE 269 HB3 0.26 0.03 -0.11 -0.04 3.06 3.19 7cpaA1 PHE 269 HD2 0.18 -0.02 -0.12 -0.04 7.28 7.28 7cpaA1 PHE 269 HE2 -0.03 0.02 -0.14 -0.04 7.38 7.19 7cpaA1 PHE 269 HZ -0.09 0.07 -0.33 -0.04 7.32 6.92 7cpaA1 GLU 270 H 0.23 0.74 0.26 -0.55 8.60 9.29 7cpaA1 GLU 270 HA 0.21 0.08 0.56 -0.75 4.29 4.38 7cpaA1 GLU 270 HB2 -0.02 -0.22 0.12 -0.04 2.09 1.94 7cpaA1 GLU 270 HB3 0.01 0.04 -0.35 -0.04 1.99 1.64 7cpaA1 GLU 270 HG2 0.03 0.01 -0.30 -0.04 2.34 2.04 7cpaA1 GLU 270 HG3 -0.06 0.06 -0.17 -0.04 2.34 2.12 7cpaA1 LEU 271 H 0.23 0.70 0.32 -0.55 8.37 9.08 7cpaA1 LEU 271 HA 0.32 0.15 0.50 -0.75 4.35 4.57 7cpaA1 LEU 271 HB2 0.19 0.04 0.15 -0.04 1.64 1.98 7cpaA1 LEU 271 HB3 0.17 -0.11 0.20 -0.04 1.64 1.85 7cpaA1 LEU 271 HG 0.16 0.03 -0.01 -0.04 1.64 1.78 7cpaA1 LEU 271 HD13 0.30 0.05 -0.19 -0.04 0.93 1.05 7cpaA1 LEU 271 HD23 0.08 0.00 -0.11 -0.04 0.89 0.82 7cpaA1 ARG 272 H 0.16 0.12 0.16 -0.55 8.46 8.35 7cpaA1 ARG 272 HA 0.07 0.10 0.42 -0.75 4.34 4.17 7cpaA1 ARG 272 HB2 0.10 0.00 0.07 -0.04 1.90 2.03 7cpaA1 ARG 272 HB3 0.08 -0.05 0.07 -0.04 1.80 1.85 7cpaA1 ARG 272 HG2 0.12 0.05 0.03 -0.04 1.67 1.84 7cpaA1 ARG 272 HG3 0.16 -0.00 0.08 -0.04 1.67 1.87 7cpaA1 ARG 272 HD2 0.06 0.02 0.03 -0.04 3.22 3.28 7cpaA1 ARG 272 HD3 0.06 -0.05 0.01 -0.04 3.22 3.20 7cpaA1 ASP 273 H 0.02 0.00 0.09 -0.55 8.40 7.96 7cpaA1 ASP 273 HA 0.05 0.15 0.36 -0.75 4.63 4.43 7cpaA1 ASP 273 HB2 0.01 0.05 0.20 -0.04 2.71 2.93 7cpaA1 ASP 273 HB3 0.06 0.13 0.08 -0.04 2.70 2.92 7cpaA1 THR 274 H -0.03 0.13 0.10 -0.55 8.28 7.93 7cpaA1 THR 274 HA 0.11 0.32 1.01 -0.75 4.39 5.07 7cpaA1 THR 274 HB 0.00 0.09 0.22 -0.04 4.32 4.60 7cpaA1 THR 274 HG23 -0.02 0.06 -0.08 -0.04 1.22 1.14 7cpaA1 GLY 275 H -0.31 -0.11 -0.18 -0.55 8.43 7.28 7cpaA1 GLY 275 HA2 -0.64 0.00 0.22 -0.51 4.01 3.09 7cpaA1 GLY 275 HA3 -0.13 0.41 0.89 -0.51 4.01 4.67 7cpaA1 ARG 276 H -0.19 0.02 -0.11 -0.55 8.46 7.63 7cpaA1 ARG 276 HA -0.24 0.17 0.34 -0.75 4.34 3.85 7cpaA1 ARG 276 HB2 -0.21 0.06 0.09 -0.04 1.90 1.79 7cpaA1 ARG 276 HB3 -0.32 -0.14 0.11 -0.04 1.80 1.41 7cpaA1 ARG 276 HG2 -1.07 0.02 -0.24 -0.04 1.67 0.34 7cpaA1 ARG 276 HG3 -0.38 0.05 0.03 -0.04 1.67 1.33 7cpaA1 ARG 276 HD2 -0.27 0.04 -0.02 -0.04 3.22 2.92 7cpaA1 ARG 276 HD3 -0.19 0.02 0.00 -0.04 3.22 3.01 7cpaA1 TYR 277 H -0.16 -0.11 -0.05 -0.55 8.29 7.41 7cpaA1 TYR 277 HA -0.13 0.30 0.82 -0.75 4.56 4.79 7cpaA1 TYR 277 HB2 -0.10 -0.10 -0.11 -0.04 3.06 2.71 7cpaA1 TYR 277 HB3 -0.08 0.22 -0.33 -0.04 2.98 2.74 7cpaA1 TYR 277 HD2 -0.06 -0.01 0.01 -0.04 7.15 7.05 7cpaA1 TYR 277 HE2 -0.03 0.02 -0.01 -0.04 6.85 6.78 7cpaA1 GLY 278 H -0.39 -0.25 -0.19 -0.55 8.43 7.06 7cpaA1 GLY 278 HA2 -1.78 -0.04 0.23 -0.51 4.01 1.90 7cpaA1 GLY 278 HA3 -0.81 0.16 0.33 -0.51 4.01 3.19 7cpaA1 PHE 279 H -0.44 0.20 0.16 -0.55 8.34 7.70 7cpaA1 PHE 279 HA 0.10 0.00 0.40 -0.75 4.62 4.36 7cpaA1 PHE 279 HB2 -0.08 0.04 0.03 -0.04 3.15 3.11 7cpaA1 PHE 279 HB3 -0.08 0.21 0.11 -0.04 3.06 3.26 7cpaA1 PHE 279 HD2 0.09 -0.01 -0.06 -0.04 7.28 7.26 7cpaA1 PHE 279 HE2 0.07 0.10 0.01 -0.04 7.38 7.53 7cpaA1 PHE 279 HZ 0.02 0.02 0.01 -0.04 7.32 7.33 7cpaA1 LEU 280 H -0.02 0.40 -0.33 -0.55 8.37 7.87 7cpaA1 LEU 280 HA -0.15 0.19 0.76 -0.75 4.35 4.40 7cpaA1 LEU 280 HB2 -0.01 0.07 0.15 -0.04 1.64 1.81 7cpaA1 LEU 280 HB3 -0.09 -0.01 0.12 -0.04 1.64 1.62 7cpaA1 LEU 280 HG -0.01 -0.07 -0.00 -0.04 1.64 1.52 7cpaA1 LEU 280 HD13 -0.05 0.00 0.01 -0.04 0.93 0.86 7cpaA1 LEU 280 HD23 -0.22 0.02 -0.14 -0.04 0.89 0.51 7cpaA1 LEU 281 H 0.04 0.21 -0.61 -0.55 8.37 7.46 7cpaA1 LEU 281 HA -0.04 -0.02 0.29 -0.75 4.35 3.83 7cpaA1 LEU 281 HB2 0.11 0.04 -0.02 -0.04 1.64 1.73 7cpaA1 LEU 281 HB3 0.15 0.01 -0.16 -0.04 1.64 1.61 7cpaA1 LEU 281 HG 0.08 0.04 -0.23 -0.04 1.64 1.49 7cpaA1 LEU 281 HD13 0.08 -0.00 -0.15 -0.04 0.93 0.81 7cpaA1 LEU 281 HD23 0.06 -0.03 -0.05 -0.04 0.89 0.84 7cpaA1 PRO 282 HA -0.07 0.08 0.39 -0.51 4.44 4.33 7cpaA1 PRO 282 HB2 -0.20 -0.06 0.02 -0.04 2.28 1.99 7cpaA1 PRO 282 HB3 -0.20 0.04 0.11 -0.04 2.02 1.93 7cpaA1 PRO 282 HG2 -0.91 0.04 0.06 -0.04 2.03 1.18 7cpaA1 PRO 282 HG3 -0.89 0.13 0.09 -0.04 2.03 1.32 7cpaA1 PRO 282 HD2 -0.40 0.03 0.14 -0.04 3.68 3.42 7cpaA1 PRO 282 HD3 -0.94 0.16 0.22 -0.04 3.65 3.05 7cpaA1 ALA 283 H 0.04 0.17 0.19 -0.55 8.40 8.26 7cpaA1 ALA 283 HA -0.22 0.09 0.39 -0.75 4.34 3.84 7cpaA1 ALA 283 HB3 -0.06 0.06 0.17 -0.04 1.41 1.53 7cpaA1 SER 284 H -0.07 0.06 -0.19 -0.55 8.46 7.72 7cpaA1 SER 284 HA -0.07 0.11 0.44 -0.75 4.49 4.22 7cpaA1 SER 284 HB2 -0.06 0.04 0.10 -0.04 3.95 4.00 7cpaA1 SER 284 HB3 -0.05 0.00 0.09 -0.04 3.93 3.93 7cpaA1 GLN 285 H -0.08 0.56 -0.64 -0.55 8.47 7.77 7cpaA1 GLN 285 HA -0.09 0.22 1.00 -0.75 4.36 4.74 7cpaA1 GLN 285 HB2 -0.03 0.13 -0.05 -0.04 2.15 2.16 7cpaA1 GLN 285 HB3 -0.03 -0.10 0.11 -0.04 2.02 1.96 7cpaA1 GLN 285 HG2 -0.06 0.07 -0.10 -0.04 2.40 2.27 7cpaA1 GLN 285 HG3 -0.08 -0.04 -0.13 -0.04 2.39 2.08 7cpaA1 GLN 285 HE21 0.14 -0.08 -0.01 -0.04 6.97 6.99 7cpaA1 GLN 285 HE22 -0.06 0.02 -0.01 -0.04 7.69 7.60 7cpaA1 ILE 286 H -0.12 0.63 -0.09 -0.55 8.25 8.11 7cpaA1 ILE 286 HA -0.08 0.00 0.36 -0.75 4.18 3.70 7cpaA1 ILE 286 HB -0.16 0.06 0.15 -0.04 1.89 1.90 7cpaA1 ILE 286 HG12 -0.24 -0.08 -0.05 -0.04 1.49 1.07 7cpaA1 ILE 286 HG13 -0.25 0.00 0.01 -0.04 1.21 0.93 7cpaA1 ILE 286 HG23 -0.09 0.02 -0.18 -0.04 0.93 0.63 7cpaA1 ILE 286 HD13 -0.87 0.05 -0.26 -0.04 0.88 -0.24 7cpaA1 ILE 287 H -0.13 0.18 -0.06 -0.55 8.25 7.69 7cpaA1 ILE 287 HA -0.52 0.06 0.40 -0.75 4.18 3.37 7cpaA1 ILE 287 HB -0.08 0.06 0.05 -0.04 1.89 1.88 7cpaA1 ILE 287 HG12 -0.01 0.03 -0.10 -0.04 1.49 1.37 7cpaA1 ILE 287 HG13 -0.01 -0.00 -0.07 -0.04 1.21 1.08 7cpaA1 ILE 287 HG23 -0.08 0.01 -0.13 -0.04 0.93 0.69 7cpaA1 ILE 287 HD13 0.16 -0.01 -0.10 -0.04 0.88 0.89 7cpaA1 PRO 288 HA 0.01 0.07 0.46 -0.51 4.44 4.47 7cpaA1 PRO 288 HB2 -0.20 0.03 -0.01 -0.04 2.28 2.06 7cpaA1 PRO 288 HB3 -0.65 0.04 0.05 -0.04 2.02 1.43 7cpaA1 PRO 288 HG2 -0.22 0.12 0.07 -0.04 2.03 1.95 7cpaA1 PRO 288 HG3 -0.23 0.04 0.01 -0.04 2.03 1.81 7cpaA1 PRO 288 HD2 -0.14 0.05 -0.34 -0.04 3.68 3.21 7cpaA1 PRO 288 HD3 -0.13 0.05 -0.00 -0.04 3.65 3.54 7cpaA1 THR 289 H -0.11 0.47 -0.32 -0.55 8.28 7.77 7cpaA1 THR 289 HA 0.03 -0.00 0.43 -0.75 4.39 4.09 7cpaA1 THR 289 HB -0.06 0.15 0.18 -0.04 4.32 4.56 7cpaA1 THR 289 HG23 0.06 -0.04 -0.03 -0.04 1.22 1.17 7cpaA1 ALA 290 H -0.30 0.64 -0.01 -0.55 8.40 8.18 7cpaA1 ALA 290 HA -0.23 -0.04 0.45 -0.75 4.34 3.77 7cpaA1 ALA 290 HB3 -0.76 0.02 0.11 -0.04 1.41 0.74 7cpaA1 GLN 291 H -0.52 0.66 -0.12 -0.55 8.47 7.94 7cpaA1 GLN 291 HA -0.30 0.02 0.41 -0.75 4.36 3.74 7cpaA1 GLN 291 HB2 0.03 0.06 0.13 -0.04 2.15 2.33 7cpaA1 GLN 291 HB3 0.03 -0.02 -0.01 -0.04 2.02 1.97 7cpaA1 GLN 291 HG2 -0.09 -0.05 0.00 -0.04 2.40 2.22 7cpaA1 GLN 291 HG3 -0.60 0.25 0.09 -0.04 2.39 2.09 7cpaA1 GLN 291 HE21 0.14 -0.01 -0.06 -0.04 6.97 7.00 7cpaA1 GLN 291 HE22 0.20 -0.01 -0.05 -0.04 7.69 7.80 7cpaA1 GLU 292 H 0.04 0.49 -0.09 -0.55 8.60 8.49 7cpaA1 GLU 292 HA -0.01 0.10 0.61 -0.75 4.29 4.24 7cpaA1 GLU 292 HB2 0.02 0.14 0.17 -0.04 2.09 2.38 7cpaA1 GLU 292 HB3 0.10 -0.03 0.15 -0.04 1.99 2.17 7cpaA1 GLU 292 HG2 0.08 0.18 0.25 -0.04 2.34 2.81 7cpaA1 GLU 292 HG3 0.07 -0.05 -0.09 -0.04 2.34 2.23 7cpaA1 THR 293 H 0.05 0.54 -0.14 -0.55 8.28 8.18 7cpaA1 THR 293 HA -0.02 0.00 0.36 -0.75 4.39 3.98 7cpaA1 THR 293 HB 0.17 0.09 0.08 -0.04 4.32 4.62 7cpaA1 THR 293 HG23 -0.14 -0.04 -0.06 -0.04 1.22 0.95 7cpaA1 TRP 294 H 0.39 0.57 -0.21 -0.55 7.97 8.18 7cpaA1 TRP 294 HA -0.11 -0.04 0.41 -0.75 4.62 4.12 7cpaA1 TRP 294 HB2 0.46 0.08 0.10 -0.04 3.23 3.83 7cpaA1 TRP 294 HB3 0.14 0.23 0.10 -0.04 3.23 3.66 7cpaA1 TRP 294 HD1 0.10 0.06 -0.07 -0.04 7.22 7.26 7cpaA1 TRP 294 HE1 -0.11 -0.01 -0.07 -0.04 10.20 9.97 7cpaA1 TRP 294 HE3 -0.70 -0.02 0.03 -0.04 7.59 6.86 7cpaA1 TRP 294 HZ2 -0.63 -0.01 -0.07 -0.04 7.44 6.69 7cpaA1 TRP 294 HZ3 -0.21 0.00 -0.10 -0.04 7.13 6.78 7cpaA1 TRP 294 HH2 -0.28 0.05 -0.08 -0.04 7.19 6.84 7cpaA1 LEU 295 H -0.01 0.36 -0.44 -0.55 8.37 7.73 7cpaA1 LEU 295 HA -0.41 -0.01 0.33 -0.75 4.35 3.50 7cpaA1 LEU 295 HB2 -0.09 0.22 0.06 -0.04 1.64 1.80 7cpaA1 LEU 295 HB3 -0.13 -0.03 -0.14 -0.04 1.64 1.31 7cpaA1 LEU 295 HG 0.02 0.18 0.11 -0.04 1.64 1.91 7cpaA1 LEU 295 HD13 -0.07 -0.00 0.04 -0.04 0.93 0.85 7cpaA1 LEU 295 HD23 -0.09 -0.03 -0.03 -0.04 0.89 0.70 7cpaA1 GLY 296 H -0.10 0.32 -0.20 -0.55 8.43 7.90 7cpaA1 GLY 296 HA2 -0.07 0.11 0.55 -0.51 4.01 4.09 7cpaA1 GLY 296 HA3 0.05 0.01 0.26 -0.51 4.01 3.81 7cpaA1 VAL 297 H -0.19 0.69 -0.02 -0.55 8.24 8.17 7cpaA1 VAL 297 HA -0.00 -0.03 0.44 -0.75 4.13 3.79 7cpaA1 VAL 297 HB -0.15 0.07 0.14 -0.04 2.12 2.15 7cpaA1 VAL 297 HG13 0.06 -0.01 -0.16 -0.04 0.97 0.82 7cpaA1 VAL 297 HG23 -0.21 0.01 -0.05 -0.04 0.95 0.67 7cpaA1 LEU 298 H -0.85 0.85 -0.02 -0.55 8.37 7.81 7cpaA1 LEU 298 HA -0.42 -0.04 0.38 -0.75 4.35 3.52 7cpaA1 LEU 298 HB2 -1.39 0.33 0.14 -0.04 1.64 0.68 7cpaA1 LEU 298 HB3 -0.53 0.05 -0.02 -0.04 1.64 1.10 7cpaA1 LEU 298 HG -1.32 0.00 -0.03 -0.04 1.64 0.25 7cpaA1 LEU 298 HD13 -0.25 -0.02 -0.07 -0.04 0.93 0.54 7cpaA1 LEU 298 HD23 -0.06 -0.03 -0.07 -0.04 0.89 0.68 7cpaA1 THR 299 H -0.25 0.50 -0.32 -0.55 8.28 7.66 7cpaA1 THR 299 HA -0.13 -0.03 0.38 -0.75 4.39 3.86 7cpaA1 THR 299 HB -0.14 0.09 0.10 -0.04 4.32 4.33 7cpaA1 THR 299 HG23 -0.11 -0.03 -0.26 -0.04 1.22 0.78 7cpaA1 ILE 300 H -0.12 0.43 -0.15 -0.55 8.25 7.87 7cpaA1 ILE 300 HA -0.14 -0.01 0.58 -0.75 4.18 3.87 7cpaA1 ILE 300 HB -0.03 0.13 0.14 -0.04 1.89 2.08 7cpaA1 ILE 300 HG12 -0.52 -0.06 -0.07 -0.04 1.49 0.80 7cpaA1 ILE 300 HG13 -0.24 0.07 0.00 -0.04 1.21 1.01 7cpaA1 ILE 300 HG23 0.05 -0.02 -0.16 -0.04 0.93 0.76 7cpaA1 ILE 300 HD13 -0.38 -0.02 -0.12 -0.04 0.88 0.32 7cpaA1 MET 301 H -0.05 0.60 -0.08 -0.55 8.47 8.39 7cpaA1 MET 301 HA 0.02 -0.00 0.27 -0.75 4.52 4.06 7cpaA1 MET 301 HB2 -0.01 0.06 0.02 -0.04 2.15 2.18 7cpaA1 MET 301 HB3 0.03 -0.01 -0.04 -0.04 2.03 1.97 7cpaA1 MET 301 HG2 0.09 -0.05 -0.07 -0.04 2.63 2.56 7cpaA1 MET 301 HG3 0.01 0.24 -0.04 -0.04 2.56 2.73 7cpaA1 MET 301 HE3 0.14 -0.01 -0.13 -0.04 2.10 2.05 7cpaA1 GLU 302 H -0.07 0.57 -0.28 -0.55 8.60 8.28 7cpaA1 GLU 302 HA -0.04 0.03 0.45 -0.75 4.29 3.97 7cpaA1 GLU 302 HB2 -0.06 0.18 0.15 -0.04 2.09 2.32 7cpaA1 GLU 302 HB3 -0.05 -0.05 -0.06 -0.04 1.99 1.79 7cpaA1 GLU 302 HG2 -0.04 -0.03 -0.02 -0.04 2.34 2.20 7cpaA1 GLU 302 HG3 -0.07 0.08 -0.03 -0.04 2.34 2.28 7cpaA1 HIS 303 H -0.01 0.47 -0.20 -0.55 8.41 8.13 7cpaA1 HIS 303 HA -0.11 0.03 0.44 -0.75 4.63 4.22 7cpaA1 HIS 303 HB2 -0.15 0.07 0.14 -0.04 3.26 3.28 7cpaA1 HIS 303 HB3 -0.30 0.10 0.09 -0.04 3.20 3.04 7cpaA1 HIS 303 HD2 -0.79 0.01 -0.23 -0.04 6.97 5.92 7cpaA1 HIS 303 HE1 0.01 -0.02 -0.04 -0.04 7.75 7.67 7cpaA1 THR 304 H -0.12 0.51 -0.23 -0.55 8.28 7.90 7cpaA1 THR 304 HA -0.22 -0.01 0.50 -0.75 4.39 3.90 7cpaA1 THR 304 HB 0.01 0.13 0.03 -0.04 4.32 4.45 7cpaA1 THR 304 HG23 0.20 -0.00 -0.14 -0.04 1.22 1.23 7cpaA1 VAL 305 H -0.06 0.36 -0.33 -0.55 8.24 7.66 7cpaA1 VAL 305 HA -0.00 0.07 0.36 -0.75 4.13 3.80 7cpaA1 VAL 305 HB -0.04 -0.02 -0.09 -0.04 2.12 1.93 7cpaA1 VAL 305 HG13 -0.02 -0.00 0.00 -0.04 0.97 0.90 7cpaA1 VAL 305 HG23 -0.04 0.06 0.15 -0.04 0.95 1.09 7cpaA1 ASN 306 H -0.10 0.37 -0.18 -0.55 8.53 8.06 7cpaA1 ASN 306 HA -0.06 0.05 0.32 -0.75 4.76 4.32 7cpaA1 ASN 306 HB2 -0.20 0.06 0.11 -0.04 2.88 2.81 7cpaA1 ASN 306 HB3 -0.12 -0.08 0.05 -0.04 2.79 2.61 7cpaA1 ASN 306 HD21 -0.05 -0.10 -0.04 -0.04 7.03 6.80 7cpaA1 ASN 306 HD22 -0.09 -0.06 -0.10 -0.04 7.74 7.45 7cpaA1 ASN 307 H -0.09 0.22 -0.56 -0.55 8.53 7.55 7cpaA1 ASN 307 HA -0.00 0.09 0.17 -0.75 4.76 4.26 7cpaA1 ASN 307 HB2 0.02 -0.09 0.07 -0.04 2.88 2.83 7cpaA1 ASN 307 HB3 -0.05 0.16 0.11 -0.04 2.79 2.97 7cpaA1 ASN 307 HD21 -0.38 -0.07 -0.08 -0.04 7.03 6.46 7cpaA1 ASN 307 HD22 -0.11 0.00 -0.11 -0.04 7.74 7.49