#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1om4 s PHE 300 N 0.00 2.87 -0.07 -0.14 0.40 -1.26 -4.73 117.98 115.04 1om4 s PHE 300 Ca 0.00 -0.10 0.04 0.00 -0.60 0.00 0.00 56.93 56.26 1om4 s PHE 300 Cb 0.00 -1.72 0.00 0.00 0.51 0.00 0.00 43.02 41.82 1om4 s PHE 300 CO 0.00 0.22 -0.19 -0.51 0.70 0.00 0.00 175.22 175.44 1om4 s LEU 301 N -0.61 1.91 0.05 -0.37 1.43 -0.82 -4.96 118.68 115.31 1om4 s LEU 301 Ca 0.09 -0.43 0.03 0.00 -1.03 0.00 0.00 54.13 52.79 1om4 s LEU 301 Cb -0.11 -1.12 -0.04 0.00 0.03 0.00 0.00 46.19 44.95 1om4 s LEU 301 CO 0.02 0.13 0.04 -0.54 0.23 0.00 0.00 176.35 176.22 1om4 s LYS 302 N 0.33 2.80 -0.00 1.70 1.02 -1.26 0.12 119.74 124.44 1om4 s LYS 302 Ca -0.13 -0.67 0.05 0.00 0.02 0.00 0.00 55.97 55.24 1om4 s LYS 302 Cb -0.15 -2.68 -0.02 0.00 -0.52 0.00 0.00 37.83 34.46 1om4 s LYS 302 CO 0.05 0.59 -0.17 0.14 -0.92 0.00 0.00 175.35 175.04 1om4 s VAL 303 N -1.25 1.37 0.04 3.17 -7.23 -0.08 -4.97 120.40 111.45 1om4 s VAL 303 Ca 0.25 -0.80 0.08 0.00 -1.81 0.00 0.00 61.98 59.70 1om4 s VAL 303 Cb -0.12 -1.15 -0.03 0.00 0.56 0.00 0.00 36.38 35.64 1om4 s VAL 303 CO 0.16 0.34 -0.24 -0.75 -0.31 0.00 0.00 175.10 174.30 1om4 s LYS 304 N -0.54 1.62 -0.32 4.82 2.20 -1.26 -0.50 119.74 125.76 1om4 s LYS 304 Ca 0.06 -1.02 -0.11 0.00 -0.36 0.00 0.00 55.97 54.54 1om4 s LYS 304 Cb -0.07 -1.76 -0.02 0.00 -1.51 0.00 0.00 37.83 34.48 1om4 s LYS 304 CO -0.00 0.45 0.20 1.21 -0.36 0.00 0.00 175.35 176.85 1om4 s ASN 305 N -1.16 5.85 0.00 1.43 3.84 -0.60 -1.92 114.94 122.37 1om4 s ASN 305 Ca 0.10 -0.43 0.12 0.00 0.21 0.00 0.00 52.86 52.85 1om4 s ASN 305 Cb -0.09 -2.08 0.69 0.00 -0.55 0.00 0.00 41.25 39.21 1om4 s ASN 305 CO 0.02 -0.21 1.29 0.79 -2.79 0.00 0.00 177.10 176.21 1om4 n TRP 306 N 5.05 0.00 -0.05 0.43 7.02 -0.31 0.47 117.44 130.06 1om4 n TRP 306 Ca -0.13 0.00 -0.02 0.00 -1.02 0.00 0.00 57.50 56.33 1om4 n TRP 306 Cb 0.50 0.00 -0.10 0.00 -2.42 0.00 0.00 31.31 29.28 1om4 n TRP 306 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 1om4 n GLU 307 N -0.72 1.42 -0.00 -0.99 2.13 -1.26 -4.66 120.64 116.56 1om4 n GLU 307 Ca 0.09 -0.05 0.00 0.00 0.66 0.00 0.00 57.16 57.86 1om4 n GLU 307 Cb 0.04 -1.33 -0.00 0.00 0.27 0.00 0.00 31.44 30.42 1om4 n GLU 307 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1om4 n THR 308 N -2.32 0.00 -0.79 6.31 -2.24 -1.14 -5.00 114.28 109.11 1om4 n THR 308 Ca -0.15 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 61.20 1om4 n THR 308 Cb 0.74 0.94 0.00 0.00 -2.10 0.00 0.00 70.33 69.91 1om4 n THR 308 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1om4 n ASP 309 N -1.07 -0.94 -4.73 3.42 10.43 0.18 -4.96 116.55 118.88 1om4 n ASP 309 Ca 0.00 0.00 -0.42 0.00 2.57 0.00 0.00 54.79 56.94 1om4 n ASP 309 Cb 0.01 -1.49 -0.03 0.00 1.84 0.00 0.00 41.12 41.45 1om4 n ASP 309 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 1om4 s VAL 310 N -2.20 2.55 -0.11 2.53 1.01 -1.24 -4.74 120.40 118.20 1om4 s VAL 310 Ca 0.00 0.41 0.02 0.00 0.00 0.00 0.00 61.98 62.41 1om4 s VAL 310 Cb 0.00 -3.26 -0.01 0.00 0.00 0.00 0.00 36.38 33.11 1om4 s VAL 310 CO 0.00 0.04 -0.18 -0.69 0.00 0.00 0.00 175.10 174.27 1om4 s VAL 311 N 0.79 2.61 0.14 2.92 1.01 -1.26 -1.56 120.40 125.04 1om4 s VAL 311 Ca 0.67 -0.83 0.08 0.00 0.00 0.00 0.00 61.98 61.91 1om4 s VAL 311 Cb -0.44 -2.05 -0.04 0.00 0.00 0.00 0.00 36.38 33.85 1om4 s VAL 311 CO 0.35 0.54 -0.12 -0.76 0.00 0.00 0.00 175.10 175.12 1om4 s LEU 312 N 0.26 2.94 -0.15 3.92 1.43 0.34 -4.95 118.68 122.47 1om4 s LEU 312 Ca -0.12 -0.50 -0.01 0.00 -1.03 0.00 0.00 54.13 52.47 1om4 s LEU 312 Cb -0.16 -1.70 -0.01 0.00 0.03 0.00 0.00 46.19 44.34 1om4 s LEU 312 CO 0.07 0.15 -0.13 -0.89 0.23 0.00 0.00 176.35 175.78 1om4 s THR 313 N -1.38 3.00 -0.18 5.49 2.01 -1.26 -0.90 115.64 122.43 1om4 s THR 313 Ca 0.22 -0.67 -0.06 0.00 0.31 0.00 0.00 61.69 61.49 1om4 s THR 313 Cb -0.10 -2.27 -0.03 0.00 0.01 0.00 0.00 72.50 70.10 1om4 s THR 313 CO 0.13 0.51 0.02 -0.62 -0.69 0.00 0.00 174.62 173.97 1om4 s ASP 314 N 0.59 5.23 0.00 3.53 -1.08 0.32 -4.66 116.67 120.61 1om4 s ASP 314 Ca -0.08 -0.03 0.00 0.00 -0.52 0.00 0.00 52.55 51.92 1om4 s ASP 314 Cb -0.16 -1.88 0.00 0.00 -1.46 0.00 0.00 42.92 39.42 1om4 s ASP 314 CO 0.03 0.16 0.00 0.35 0.52 0.00 0.00 175.17 176.23 1om4 n THR 315 N 3.64 0.00 0.18 1.71 -2.24 -0.15 -1.94 114.28 115.47 1om4 n THR 315 Ca -0.17 -0.11 0.06 0.00 -2.27 0.00 0.00 64.05 61.56 1om4 n THR 315 Cb 0.52 0.56 0.54 0.00 -2.10 0.00 0.00 70.33 69.85 1om4 n THR 315 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1om4 h LEU 316 N 0.00 0.13 -2.21 3.22 5.85 -1.54 -2.21 115.31 118.54 1om4 h LEU 316 Ca 0.00 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1om4 h LEU 316 Cb 0.00 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.00 1om4 h LEU 316 CO 0.00 0.15 0.13 1.12 -0.34 0.00 0.00 178.44 179.50 1om4 h HIS 317 N 0.15 0.00 0.00 1.25 2.07 -1.85 0.60 115.15 117.37 1om4 h HIS 317 Ca 0.04 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.56 1om4 h HIS 317 Cb 0.08 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.06 1om4 h HIS 317 CO 0.00 0.00 0.00 -0.07 -3.07 0.00 0.00 177.93 174.79 1om4 h LEU 318 N 0.00 0.00 -2.38 6.12 3.38 -1.75 -2.32 115.31 118.35 1om4 h LEU 318 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1om4 h LEU 318 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1om4 h LEU 318 CO 0.00 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.82 1om4 n LYS 319 N -2.80 2.88 -3.06 1.13 4.76 0.20 -4.90 118.16 116.37 1om4 n LYS 319 Ca 0.02 -2.17 -0.40 0.00 -2.87 0.00 0.00 58.31 52.89 1om4 n LYS 319 Cb 0.31 -1.66 -0.05 0.00 -1.84 0.00 0.00 35.03 31.79 1om4 n LYS 319 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1om4 s SER 320 N -0.86 7.07 -0.06 4.39 0.15 -0.88 -4.89 113.70 118.62 1om4 s SER 320 Ca 0.39 1.28 -0.06 0.00 0.70 0.00 0.00 55.95 58.26 1om4 s SER 320 Cb 0.24 -2.42 -0.04 0.00 -1.71 0.00 0.00 66.02 62.09 1om4 s SER 320 CO 0.21 -0.02 -0.14 0.35 1.20 0.00 0.00 173.24 174.84 1om4 n THR 321 N 3.20 0.92 -0.90 6.45 -2.24 -1.24 -5.04 114.28 115.44 1om4 n THR 321 Ca -0.03 0.05 -0.33 0.00 -2.27 0.00 0.00 64.05 61.48 1om4 n THR 321 Cb 0.51 -1.75 0.13 0.00 -2.10 0.00 0.00 70.33 67.11 1om4 n THR 321 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1om4 n LEU 322 N -3.65 1.66 -4.93 3.22 4.77 -1.26 -5.01 117.00 111.80 1om4 n LEU 322 Ca -0.14 0.44 -0.26 0.00 -0.03 0.00 0.00 56.01 56.02 1om4 n LEU 322 Cb 0.45 -1.33 0.06 0.00 -2.33 0.00 0.00 43.42 40.27 1om4 n LEU 322 CO 0.04 -2.84 0.59 -1.61 -1.33 0.00 0.00 177.39 172.24 1om4 s GLU 323 N -3.83 2.35 -0.11 3.23 2.02 -1.26 -4.58 118.70 116.53 1om4 s GLU 323 Ca 0.64 -0.24 0.06 0.00 0.02 0.00 0.00 54.97 55.45 1om4 s GLU 323 Cb -0.25 -2.21 -0.11 0.00 0.10 0.00 0.00 34.13 31.66 1om4 s GLU 323 CO 0.61 -1.11 -0.01 0.25 0.02 0.00 0.00 175.26 175.02 1om4 n THR 324 N -2.83 0.69 0.00 3.63 -2.24 -1.26 -4.76 114.28 107.51 1om4 n THR 324 Ca 0.07 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 1om4 n THR 324 Cb 0.60 -0.80 0.00 0.00 -2.10 0.00 0.00 70.33 68.03 1om4 n THR 324 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1om4 n GLY 325 N 2.55 1.96 3.96 3.38 0.00 -1.26 -4.88 105.19 110.90 1om4 n GLY 325 Ca -0.18 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.61 1om4 n GLY 325 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1om4 s THR 327 N -2.89 0.00 -1.24 0.00 -4.23 -0.22 -4.98 115.64 102.08 1om4 s THR 327 Ca 0.57 -1.74 0.14 0.00 -1.18 0.00 0.00 61.69 59.47 1om4 s THR 327 Cb -0.10 -2.54 0.18 0.00 1.34 0.00 0.00 72.50 71.38 1om4 s THR 327 CO 0.41 0.00 1.40 -0.62 -0.54 0.00 0.00 174.62 175.26 1om4 n GLU 328 N -0.52 0.11 -0.00 3.99 4.71 -1.26 -2.76 120.64 124.91 1om4 n GLU 328 Ca 0.03 0.21 0.02 0.00 -0.01 0.00 0.00 57.16 57.40 1om4 n GLU 328 Cb 0.62 -1.50 -0.03 0.00 -1.01 0.00 0.00 31.44 29.52 1om4 n GLU 328 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94 1om4 n HIS 329 N -1.38 0.00 -3.69 -0.32 8.25 -1.26 -5.03 115.22 111.79 1om4 n HIS 329 Ca 0.05 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.41 1om4 n HIS 329 Cb 0.13 -0.03 -0.10 0.00 1.12 0.00 0.00 29.99 31.12 1om4 n HIS 329 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 1om4 s ILE 330 N -1.66 -0.01 -0.18 1.59 2.07 -1.11 -5.14 121.20 116.75 1om4 s ILE 330 Ca 0.01 0.05 -0.11 0.00 -1.41 0.00 0.00 60.65 59.19 1om4 s ILE 330 Cb 0.03 -0.71 -0.05 0.00 0.13 0.00 0.00 42.46 41.87 1om4 s ILE 330 CO 0.20 0.02 0.17 0.00 -1.91 0.00 0.00 174.94 173.42 1om4 n MET 332 N 3.38 1.82 0.33 0.00 0.00 -1.26 -4.79 117.12 116.60 1om4 n MET 332 Ca -0.15 -3.10 0.19 0.00 0.00 0.00 0.00 57.70 54.64 1om4 n MET 332 Cb 0.52 -1.72 1.02 0.00 0.00 0.00 0.00 33.22 33.05 1om4 n MET 332 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 1om4 h GLY 333 N 0.96 0.00 -1.69 3.03 0.00 -1.94 -1.61 103.07 101.83 1om4 h GLY 333 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.43 1om4 h GLY 333 CO 0.20 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.60 1om4 n SER 334 N -2.95 2.92 -4.69 0.19 3.41 -1.26 -4.82 113.62 106.42 1om4 n SER 334 Ca -0.02 -1.85 -0.42 0.00 -0.26 0.00 0.00 58.87 56.31 1om4 n SER 334 Cb 0.20 -0.17 -0.03 0.00 -0.26 0.00 0.00 64.21 63.95 1om4 n SER 334 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1om4 s ILE 335 N -1.26 4.64 0.09 -1.33 -1.09 -0.61 -4.95 121.20 116.69 1om4 s ILE 335 Ca 0.28 1.91 -0.23 0.00 -2.23 0.00 0.00 60.65 60.38 1om4 s ILE 335 Cb 0.17 -4.23 -0.14 0.00 -1.58 0.00 0.00 42.46 36.68 1om4 s ILE 335 CO 0.23 0.03 1.74 -0.03 -1.23 0.00 0.00 174.94 175.68 1om4 h MET 336 N 7.13 -0.01 -2.71 2.79 4.05 -1.92 -3.36 114.93 120.89 1om4 h MET 336 Ca -0.33 0.00 -0.60 0.00 -0.28 0.00 0.00 59.70 58.48 1om4 h MET 336 Cb 1.16 0.00 -0.40 0.00 -0.80 0.00 0.00 31.60 31.57 1om4 h MET 336 CO 0.85 -0.01 -0.78 -0.51 0.23 0.00 0.00 176.91 176.69 1om4 s LEU 337 N -10.20 3.05 0.21 3.39 1.43 -1.26 -5.16 118.68 110.14 1om4 s LEU 337 Ca -0.13 -3.44 -0.18 0.00 -1.03 0.00 0.00 54.13 49.35 1om4 s LEU 337 Cb 0.06 -1.01 0.20 0.00 0.03 0.00 0.00 46.19 45.47 1om4 s LEU 337 CO 0.66 -0.13 1.57 -0.65 0.23 0.00 0.00 176.35 178.03 1om4 h PRO 338 N 5.54 -0.08 -4.29 1.29 0.11 -1.90 -3.54 132.00 129.12 1om4 h PRO 338 Ca 0.21 0.01 -0.58 0.00 0.11 0.00 0.00 66.00 65.74 1om4 h PRO 338 Cb 0.84 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.95 1om4 h PRO 338 CO 0.54 -0.05 0.75 1.55 -0.21 0.00 0.00 178.00 180.58 1om4 n VAL 348 N -5.46 0.00 -1.97 3.15 3.14 -1.26 -4.96 118.33 110.97 1om4 n VAL 348 Ca 0.07 0.00 -0.28 0.00 -2.96 0.00 0.00 64.34 61.17 1om4 n VAL 348 Cb 0.38 -0.36 0.09 0.00 -1.06 0.00 0.00 33.84 32.90 1om4 n VAL 348 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 1om4 s ARG 349 N 3.39 1.88 0.17 1.45 0.52 -1.26 -5.10 118.95 120.00 1om4 s ARG 349 Ca 0.81 -0.02 0.09 0.00 -0.52 0.00 0.00 55.73 56.09 1om4 s ARG 349 Cb -1.07 -1.99 -0.04 0.00 0.52 0.00 0.00 34.95 32.37 1om4 s ARG 349 CO 0.52 -1.60 -0.12 0.99 0.02 0.00 0.00 175.30 175.11 1om4 s THR 350 N -3.54 3.10 0.35 0.02 2.01 -1.26 -5.01 115.64 111.30 1om4 s THR 350 Ca 0.63 -1.63 0.13 0.00 0.31 0.00 0.00 61.69 61.13 1om4 s THR 350 Cb -0.10 -2.51 0.34 0.00 0.01 0.00 0.00 72.50 70.24 1om4 s THR 350 CO 0.48 -0.06 1.73 0.11 -0.69 0.00 0.00 174.62 176.20 1om4 h LYS 351 N 3.11 0.48 0.09 4.92 1.57 -1.95 -1.27 116.57 123.51 1om4 h LYS 351 Ca -0.47 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.30 1om4 h LYS 351 Cb 1.20 -0.11 -0.05 0.00 0.08 0.00 0.00 32.23 33.35 1om4 h LYS 351 CO 0.52 0.32 -0.46 0.22 -0.57 0.00 0.00 179.45 179.48 1om4 h ASP 352 N 0.49 -1.39 0.11 0.86 3.58 -1.98 -2.46 116.42 115.64 1om4 h ASP 352 Ca 0.64 0.15 0.00 0.00 0.42 0.00 0.00 57.03 58.25 1om4 h ASP 352 Cb 1.39 0.52 0.00 0.00 1.72 0.00 0.00 39.33 42.96 1om4 h ASP 352 CO -0.43 -0.51 -0.03 0.00 -2.88 0.00 0.00 179.24 175.39 1om4 n GLN 353 N -5.47 1.08 -0.07 0.28 0.00 -0.70 -4.28 117.38 108.21 1om4 n GLN 353 Ca -0.07 -0.31 -0.22 0.00 0.00 0.00 0.00 57.00 56.40 1om4 n GLN 353 Cb 0.39 -1.49 -0.12 0.00 0.00 0.00 0.00 30.24 29.02 1om4 n GLN 353 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 1om4 n LEU 354 N -0.69 2.13 -0.28 2.61 7.94 -0.56 -3.93 117.00 124.21 1om4 n LEU 354 Ca 0.20 0.35 0.00 0.00 -1.11 0.00 0.00 56.01 55.45 1om4 n LEU 354 Cb 0.22 -1.02 0.20 0.00 0.53 0.00 0.00 43.42 43.36 1om4 n LEU 354 CO 0.19 0.48 1.26 0.15 -1.11 0.00 0.00 177.39 178.37 1om4 h PHE 355 N -0.63 1.06 -0.42 1.96 3.57 -1.71 0.15 116.94 120.92 1om4 h PHE 355 Ca -0.39 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.10 1om4 h PHE 355 Cb 1.56 -0.36 -0.02 0.00 2.79 0.00 0.00 35.95 39.93 1om4 h PHE 355 CO 0.09 0.65 0.09 -1.00 -2.23 0.00 0.00 178.31 175.90 1om4 h PRO 356 N 1.12 0.62 -0.05 6.41 0.13 -1.79 0.25 132.00 138.70 1om4 h PRO 356 Ca 0.32 -0.11 -0.13 0.00 -0.87 0.00 0.00 66.00 65.22 1om4 h PRO 356 Cb -0.07 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 30.94 1om4 h PRO 356 CO -0.08 0.58 -0.54 -0.07 -0.23 0.00 0.00 178.00 177.66 1om4 h LEU 357 N 0.61 0.16 -0.09 1.56 3.38 -1.47 -1.35 115.31 118.10 1om4 h LEU 357 Ca 0.14 -0.08 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 1om4 h LEU 357 Cb 0.25 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1om4 h LEU 357 CO -0.00 0.67 -0.27 0.00 0.09 0.00 0.00 178.44 178.93 1om4 h ALA 358 N 1.33 0.16 -0.32 1.53 0.00 -0.03 -2.83 119.26 119.11 1om4 h ALA 358 Ca -0.00 -0.41 0.01 0.00 0.00 0.00 0.00 54.91 54.51 1om4 h ALA 358 Cb 0.99 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 1om4 h ALA 358 CO 0.08 0.17 0.20 -0.22 0.00 0.00 0.00 179.25 179.47 1om4 h LYS 359 N -0.10 0.39 -0.36 0.00 3.64 -0.41 0.48 116.57 120.20 1om4 h LYS 359 Ca -0.01 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.40 1om4 h LYS 359 Cb 0.89 -0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 32.57 1om4 h LYS 359 CO 0.06 0.26 0.07 0.93 -2.27 0.00 0.00 179.45 178.50 1om4 h GLU 360 N 0.40 0.19 0.03 1.90 5.08 -1.30 0.90 114.58 121.78 1om4 h GLU 360 Ca 0.12 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1om4 h GLU 360 Cb -0.03 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.18 1om4 h GLU 360 CO -0.04 0.13 -0.01 0.35 -1.00 0.00 0.00 179.01 178.43 1om4 h PHE 361 N 0.20 -0.03 -0.30 4.33 3.57 -1.22 -1.60 116.94 121.89 1om4 h PHE 361 Ca 0.17 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.65 1om4 h PHE 361 Cb 0.19 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.93 1om4 h PHE 361 CO -0.19 0.11 0.09 -0.07 -2.23 0.00 0.00 178.31 176.02 1om4 h LEU 362 N -0.17 0.38 -0.50 0.59 3.38 -0.65 0.23 115.31 118.57 1om4 h LEU 362 Ca -0.00 -0.04 -0.08 0.00 0.09 0.00 0.00 57.88 57.85 1om4 h LEU 362 Cb 0.16 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1om4 h LEU 362 CO 0.01 0.37 -0.01 0.44 0.09 0.00 0.00 178.44 179.34 1om4 h ASP 363 N 0.42 0.88 -0.55 -0.43 3.45 -0.64 0.60 116.42 120.14 1om4 h ASP 363 Ca 0.10 -0.31 -0.06 0.00 0.43 0.00 0.00 57.03 57.19 1om4 h ASP 363 Cb 0.13 -0.24 -0.02 0.00 -0.56 0.00 0.00 39.33 38.65 1om4 h ASP 363 CO -0.01 0.97 0.11 1.56 -1.57 0.00 0.00 179.24 180.30 1om4 h GLN 364 N 0.76 0.90 0.17 3.56 4.20 -0.19 -1.66 115.11 122.85 1om4 h GLN 364 Ca 0.14 -0.23 -0.01 0.00 0.06 0.00 0.00 58.65 58.61 1om4 h GLN 364 Cb 0.53 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.20 1om4 h GLN 364 CO 0.03 0.86 -0.08 -0.92 -0.67 0.00 0.00 178.83 178.05 1om4 h TYR 365 N 0.80 -0.21 0.00 2.96 3.20 -0.37 -2.14 116.97 121.20 1om4 h TYR 365 Ca 0.17 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.00 1om4 h TYR 365 Cb 0.38 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.72 1om4 h TYR 365 CO 0.03 0.01 -0.17 1.88 -1.64 0.00 0.00 178.16 178.27 1om4 h TYR 366 N -0.41 0.00 -0.25 -3.82 -1.99 -0.83 -1.85 116.97 107.81 1om4 h TYR 366 Ca -0.02 0.00 -0.17 0.00 2.00 0.00 0.00 58.73 60.54 1om4 h TYR 366 Cb 0.32 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.05 1om4 h TYR 366 CO -0.01 0.17 -0.52 0.77 -0.00 0.00 0.00 178.16 178.57 1om4 h SER 367 N 0.00 0.80 -0.26 3.88 0.02 -1.19 0.12 113.55 116.92 1om4 h SER 367 Ca -0.00 -0.41 -0.03 0.00 -0.84 0.00 0.00 61.79 60.50 1om4 h SER 367 Cb 0.34 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.63 1om4 h SER 367 CO 0.02 1.17 0.07 0.77 -1.14 0.00 0.00 176.83 177.72 1om4 h SER 368 N 0.56 0.46 -0.53 3.07 4.64 -0.66 -1.92 113.55 119.17 1om4 h SER 368 Ca 0.02 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1om4 h SER 368 Cb 1.09 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 1om4 h SER 368 CO 0.11 0.48 0.00 2.30 -0.87 0.00 0.00 176.83 178.84 1om4 n ILE 369 N -4.34 1.26 -3.72 0.95 -5.35 -1.03 -4.94 119.36 102.19 1om4 n ILE 369 Ca 0.02 -0.89 -0.24 0.00 -0.27 0.00 0.00 62.75 61.37 1om4 n ILE 369 Cb 0.19 0.14 0.05 0.00 -1.74 0.00 0.00 39.64 38.27 1om4 n ILE 369 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1om4 n LYS 370 N 0.95 -5.82 -0.53 6.28 5.02 -0.72 -4.89 118.16 118.44 1om4 n LYS 370 Ca 0.20 0.67 0.04 0.00 -2.02 0.00 0.00 58.31 57.20 1om4 n LYS 370 Cb 0.67 -5.48 0.06 0.00 -0.02 0.00 0.00 35.03 30.25 1om4 n LYS 370 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1om4 n ARG 371 N -4.51 0.48 -1.88 1.97 5.12 0.39 -5.03 116.66 113.20 1om4 n ARG 371 Ca -0.14 -1.76 -0.42 0.00 -1.93 0.00 0.00 57.85 53.60 1om4 n ARG 371 Cb 0.61 -0.79 -0.03 0.00 -1.16 0.00 0.00 32.46 31.09 1om4 n ARG 371 CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 1om4 s PHE 372 N -1.05 3.01 0.00 -1.55 5.36 -1.00 -1.84 117.98 120.92 1om4 s PHE 372 Ca 0.17 0.58 0.00 0.00 -0.96 0.00 0.00 56.93 56.71 1om4 s PHE 372 Cb 0.16 -3.98 0.00 0.00 -0.34 0.00 0.00 43.02 38.86 1om4 s PHE 372 CO -0.02 -3.62 0.00 0.41 -1.46 0.00 0.00 175.22 170.53 1om4 n GLY 373 N 3.70 2.11 3.62 13.12 0.00 -1.26 -5.02 105.19 121.46 1om4 n GLY 373 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 1om4 n GLY 373 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1om4 s SER 374 N -3.41 2.26 0.27 1.61 1.04 -0.77 -4.76 113.70 109.95 1om4 s SER 374 Ca 0.00 1.41 -0.01 0.00 0.48 0.00 0.00 55.95 57.84 1om4 s SER 374 Cb 0.00 -2.11 0.38 0.00 0.10 0.00 0.00 66.02 64.39 1om4 s SER 374 CO 0.00 -3.39 1.77 0.50 0.98 0.00 0.00 173.24 173.10 1om4 h LYS 375 N -2.07 0.73 -0.66 4.02 3.64 -1.96 -0.28 116.57 119.99 1om4 h LYS 375 Ca -0.55 -0.19 -0.01 0.00 -1.27 0.00 0.00 60.65 58.62 1om4 h LYS 375 Cb 1.32 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 33.02 1om4 h LYS 375 CO 0.54 0.76 0.36 0.00 -2.27 0.00 0.00 179.45 178.83 1om4 h ALA 376 N 1.30 0.85 0.07 5.00 0.00 -1.91 0.27 119.26 124.83 1om4 h ALA 376 Ca 0.13 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1om4 h ALA 376 Cb 0.44 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1om4 h ALA 376 CO 0.02 0.37 -0.03 1.25 0.00 0.00 0.00 179.25 180.85 1om4 h HIS 377 N 0.91 -0.09 -0.72 0.00 -0.00 -1.63 -1.68 115.15 111.94 1om4 h HIS 377 Ca 0.23 -0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 60.57 1om4 h HIS 377 Cb 0.05 0.03 -0.03 0.00 -0.00 0.00 0.00 27.41 27.45 1om4 h HIS 377 CO -0.01 0.08 0.34 0.52 -0.00 0.00 0.00 177.93 178.86 1om4 h MET 378 N -0.24 1.05 -0.64 5.26 2.07 -0.77 -2.00 114.93 119.66 1om4 h MET 378 Ca -0.01 -0.16 -0.06 0.00 -2.07 0.00 0.00 59.70 57.40 1om4 h MET 378 Cb 0.21 -0.19 -0.03 0.00 -1.87 0.00 0.00 31.60 29.73 1om4 h MET 378 CO 0.02 0.83 0.18 -0.44 1.07 0.00 0.00 176.91 178.56 1om4 h ASP 379 N 1.02 0.94 -0.53 1.22 3.32 -0.43 -1.90 116.42 120.06 1om4 h ASP 379 Ca 0.25 -0.22 -0.02 0.00 0.02 0.00 0.00 57.03 57.05 1om4 h ASP 379 Cb 0.13 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 1om4 h ASP 379 CO -0.03 0.92 0.24 -0.09 -1.72 0.00 0.00 179.24 178.56 1om4 h ARG 380 N 0.93 0.78 -0.75 3.56 9.65 -1.06 0.27 114.38 127.75 1om4 h ARG 380 Ca 0.20 -0.12 0.00 0.00 -1.10 0.00 0.00 59.98 58.96 1om4 h ARG 380 Cb 0.32 -0.14 -0.04 0.00 -1.39 0.00 0.00 29.97 28.73 1om4 h ARG 380 CO -0.00 0.66 0.47 -0.07 2.80 0.00 0.00 179.97 183.83 1om4 h LEU 381 N 0.72 0.89 -0.37 3.80 3.38 -1.16 -0.05 115.31 122.52 1om4 h LEU 381 Ca 0.18 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 1om4 h LEU 381 Cb 0.15 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1om4 h LEU 381 CO -0.02 0.68 0.05 -0.08 0.09 0.00 0.00 178.44 179.15 1om4 h GLU 382 N 1.03 0.63 -0.64 1.13 4.81 -0.95 -0.78 114.58 119.80 1om4 h GLU 382 Ca 0.27 -0.18 0.02 0.00 -0.13 0.00 0.00 59.36 59.35 1om4 h GLU 382 Cb -0.07 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.21 1om4 h GLU 382 CO -0.05 0.70 0.40 1.49 -0.73 0.00 0.00 179.01 180.82 1om4 h GLU 383 N 0.46 0.77 -0.34 1.92 4.81 -0.01 -1.45 114.58 120.74 1om4 h GLU 383 Ca 0.11 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 59.20 1om4 h GLU 383 Cb 0.39 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 1om4 h GLU 383 CO 0.01 0.51 -0.17 0.28 -0.73 0.00 0.00 179.01 178.91 1om4 h VAL 384 N 0.80 1.29 -0.10 0.32 2.07 -0.88 -1.63 116.25 118.11 1om4 h VAL 384 Ca 0.25 -1.29 0.02 0.00 0.82 0.00 0.00 66.70 66.51 1om4 h VAL 384 Cb -0.01 1.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 1om4 h VAL 384 CO -0.09 0.42 -0.05 -1.13 0.02 0.00 0.00 177.57 176.74 1om4 h ASN 385 N 0.50 -0.16 -0.64 0.57 -0.00 -0.87 0.79 115.58 115.77 1om4 h ASN 385 Ca 0.08 0.04 0.02 0.00 -0.00 0.00 0.00 56.30 56.44 1om4 h ASN 385 Cb 0.71 0.09 -0.04 0.00 -0.00 0.00 0.00 38.32 39.08 1om4 h ASN 385 CO 0.05 -0.06 0.40 0.11 -0.00 0.00 0.00 177.43 177.92 1om4 h LYS 386 N -0.04 0.77 -0.49 6.67 1.57 -1.24 -1.58 116.57 122.23 1om4 h LYS 386 Ca 0.06 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1om4 h LYS 386 Cb 0.12 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 1om4 h LYS 386 CO -0.13 0.51 0.29 1.49 -0.57 0.00 0.00 179.45 181.04 1om4 h GLU 387 N 0.79 0.67 0.48 3.15 4.81 -0.68 0.33 114.58 124.13 1om4 h GLU 387 Ca 0.25 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.39 1om4 h GLU 387 Cb -0.00 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.24 1om4 h GLU 387 CO -0.09 0.50 -0.23 0.82 -0.73 0.00 0.00 179.01 179.27 1om4 h ILE 388 N 0.66 0.52 0.00 2.32 2.04 -0.46 0.77 117.51 123.36 1om4 h ILE 388 Ca 0.18 -0.12 -0.01 0.00 1.00 0.00 0.00 64.86 65.91 1om4 h ILE 388 Cb 0.00 0.57 -0.00 0.00 -0.74 0.00 0.00 36.82 36.65 1om4 h ILE 388 CO -0.03 0.02 -0.04 1.05 0.00 0.00 0.00 178.15 179.15 1om4 h GLU 389 N -0.72 0.00 0.19 2.37 4.11 -1.24 1.59 114.58 120.87 1om4 h GLU 389 Ca -0.07 0.00 -0.28 0.00 0.07 0.00 0.00 59.36 59.08 1om4 h GLU 389 Cb 0.53 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.81 1om4 h GLU 389 CO 0.11 0.04 -1.29 1.03 0.07 0.00 0.00 179.01 178.97 1om4 h SER 390 N 0.00 0.64 0.00 3.06 0.87 -0.49 -3.40 113.55 114.24 1om4 h SER 390 Ca -0.00 -0.93 0.00 0.00 -1.23 0.00 0.00 61.79 59.63 1om4 h SER 390 Cb 0.07 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 61.82 1om4 h SER 390 CO 0.00 1.61 0.00 0.35 -0.53 0.00 0.00 176.83 178.26 1om4 n THR 391 N -3.86 0.20 -0.73 2.23 -2.24 0.26 -4.99 114.28 105.14 1om4 n THR 391 Ca -0.18 -0.59 0.00 0.00 -2.27 0.00 0.00 64.05 61.01 1om4 n THR 391 Cb 0.98 0.91 0.00 0.00 -2.10 0.00 0.00 70.33 70.12 1om4 n THR 391 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1om4 n SER 392 N -0.10 0.00 -0.58 3.42 7.64 0.54 -4.91 113.62 119.64 1om4 n SER 392 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1om4 n SER 392 Cb 0.05 -0.52 0.00 0.00 -1.01 0.00 0.00 64.21 62.73 1om4 n SER 392 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1om4 n THR 393 N -2.00 0.00 -3.46 0.44 5.66 -1.24 -4.63 114.28 109.04 1om4 n THR 393 Ca 0.00 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 60.89 1om4 n THR 393 Cb 0.00 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 68.76 1om4 n THR 393 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 1om4 s TYR 394 N -4.99 -0.46 -0.12 1.09 -0.85 -1.26 -2.54 117.35 108.21 1om4 s TYR 394 Ca 0.00 0.33 -0.04 0.00 -0.52 0.00 0.00 57.07 56.84 1om4 s TYR 394 Cb 0.00 0.54 -0.03 0.00 0.38 0.00 0.00 41.96 42.84 1om4 s TYR 394 CO 0.00 -0.70 0.03 -0.65 -1.52 0.00 0.00 175.55 172.71 1om4 s GLN 395 N -3.27 3.37 0.42 -3.49 -1.52 -1.26 -5.05 119.66 108.85 1om4 s GLN 395 Ca 0.02 -0.37 -0.20 0.00 -1.95 0.00 0.00 55.36 52.86 1om4 s GLN 395 Cb -0.01 -2.96 -0.11 0.00 -0.22 0.00 0.00 33.01 29.72 1om4 s GLN 395 CO -0.10 0.55 0.92 -0.51 -0.25 0.00 0.00 175.29 175.90 1om4 s LEU 396 N -0.43 3.94 0.58 2.90 1.43 -1.26 -5.05 118.68 120.79 1om4 s LEU 396 Ca 0.09 1.62 -0.14 0.00 -1.03 0.00 0.00 54.13 54.67 1om4 s LEU 396 Cb -0.12 -4.47 -0.05 0.00 0.03 0.00 0.00 46.19 41.58 1om4 s LEU 396 CO 0.02 -0.35 1.02 -0.54 0.23 0.00 0.00 176.35 176.73 1om4 s LYS 397 N -3.20 3.64 0.23 1.70 -0.14 -1.26 -4.86 119.74 115.86 1om4 s LYS 397 Ca 0.61 0.92 -0.06 0.00 -1.36 0.00 0.00 55.97 56.08 1om4 s LYS 397 Cb -0.09 -2.09 0.39 0.00 -1.68 0.00 0.00 37.83 34.36 1om4 s LYS 397 CO 0.15 -0.53 1.73 -0.44 -0.76 0.00 0.00 175.35 175.50 1om4 h ASP 398 N 0.27 0.22 -0.79 2.83 5.19 -1.99 -1.07 116.42 121.08 1om4 h ASP 398 Ca -0.46 0.10 0.00 0.00 -0.62 0.00 0.00 57.03 56.06 1om4 h ASP 398 Cb 1.19 0.09 -0.04 0.00 0.18 0.00 0.00 39.33 40.76 1om4 h ASP 398 CO 0.61 0.10 0.51 0.71 -3.12 0.00 0.00 179.24 178.04 1om4 h THR 399 N 0.41 1.21 -0.04 0.35 1.35 -2.00 -1.67 112.91 112.52 1om4 h THR 399 Ca 0.38 -0.41 -0.10 0.00 -0.55 0.00 0.00 66.41 65.73 1om4 h THR 399 Cb 0.55 0.06 -0.01 0.00 -1.73 0.00 0.00 68.15 67.02 1om4 h THR 399 CO -0.39 0.21 -0.43 -0.33 -0.25 0.00 0.00 175.52 174.33 1om4 h GLU 400 N 1.07 0.09 -0.25 4.72 5.08 -1.70 -1.40 114.58 122.19 1om4 h GLU 400 Ca 0.29 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.54 1om4 h GLU 400 Cb -0.10 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 1om4 h GLU 400 CO -0.06 0.51 -0.11 1.25 -1.00 0.00 0.00 179.01 179.59 1om4 h LEU 401 N 0.07 0.53 -0.16 1.33 5.85 -0.62 0.52 115.31 122.83 1om4 h LEU 401 Ca 0.00 -0.40 -0.01 0.00 0.84 0.00 0.00 57.88 58.31 1om4 h LEU 401 Cb 0.80 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 1om4 h LEU 401 CO 0.06 0.81 0.08 0.40 -0.34 0.00 0.00 178.44 179.45 1om4 h ILE 402 N 0.24 1.13 -0.63 4.05 2.04 -1.18 -0.02 117.51 123.14 1om4 h ILE 402 Ca 0.06 -0.39 0.02 0.00 1.00 0.00 0.00 64.86 65.55 1om4 h ILE 402 Cb 0.61 1.09 -0.04 0.00 -0.74 0.00 0.00 36.82 37.74 1om4 h ILE 402 CO 0.03 0.13 0.40 0.22 0.00 0.00 0.00 178.15 178.93 1om4 h TYR 403 N 0.13 0.74 -0.22 1.37 3.20 -1.24 -1.70 116.97 119.26 1om4 h TYR 403 Ca 0.06 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.94 1om4 h TYR 403 Cb 0.13 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.15 1om4 h TYR 403 CO -0.02 0.44 0.11 0.78 -1.64 0.00 0.00 178.16 177.82 1om4 h GLY 404 N 0.79 0.34 0.99 1.82 0.00 -0.54 -1.75 103.07 104.72 1om4 h GLY 404 Ca 0.25 -0.17 -0.02 0.00 0.00 0.00 0.00 47.33 47.39 1om4 h GLY 404 CO -0.09 0.16 0.28 0.00 0.00 0.00 0.00 176.54 176.89 1om4 h ALA 405 N 0.97 0.76 -0.63 3.60 0.00 -0.82 -1.02 119.26 122.12 1om4 h ALA 405 Ca 0.07 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1om4 h ALA 405 Cb 0.12 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1om4 h ALA 405 CO -0.01 0.33 0.21 0.87 0.00 0.00 0.00 179.25 180.65 1om4 h LYS 406 N 0.81 0.96 0.00 0.00 1.57 -1.22 -2.62 116.57 116.06 1om4 h LYS 406 Ca 0.20 -0.18 -0.10 0.00 -1.87 0.00 0.00 60.65 58.70 1om4 h LYS 406 Cb 0.13 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 1om4 h LYS 406 CO -0.02 0.81 -0.47 0.45 -0.57 0.00 0.00 179.45 179.65 1om4 h HIS 407 N 0.93 0.00 -0.71 -1.35 3.86 -0.96 0.15 115.15 117.07 1om4 h HIS 407 Ca 0.21 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.37 1om4 h HIS 407 Cb 0.25 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.69 1om4 h HIS 407 CO 0.02 0.47 0.25 0.00 0.86 0.00 0.00 177.93 179.53 1om4 h ALA 408 N 1.53 0.93 -0.06 2.45 0.00 -0.87 0.23 119.26 123.47 1om4 h ALA 408 Ca -0.00 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 1om4 h ALA 408 Cb 1.15 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 1om4 h ALA 408 CO 0.06 0.59 -0.03 2.35 0.00 0.00 0.00 179.25 182.21 1om4 h TRP 409 N 1.04 0.15 -0.77 0.00 7.01 -1.20 -2.48 115.95 119.69 1om4 h TRP 409 Ca 0.23 -0.04 0.18 0.00 2.11 0.00 0.00 58.89 61.37 1om4 h TRP 409 Cb 0.27 -0.03 -0.05 0.00 -2.10 0.00 0.00 29.16 27.24 1om4 h TRP 409 CO 0.02 0.52 0.53 -0.09 -2.79 0.00 0.00 178.44 176.63 1om4 h ARG 410 N -0.26 0.28 -0.01 2.65 2.43 -0.53 -1.30 114.38 117.64 1om4 h ARG 410 Ca 0.01 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1om4 h ARG 410 Cb 0.48 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 1om4 h ARG 410 CO 0.01 0.18 -0.11 0.09 -1.51 0.00 0.00 179.97 178.63 1om4 n ASN 411 N -4.44 1.57 -4.55 -3.80 3.02 0.78 -4.86 115.26 102.99 1om4 n ASN 411 Ca 0.15 -1.38 -0.37 0.00 -0.03 0.00 0.00 54.58 52.95 1om4 n ASN 411 Cb 0.65 0.07 -0.03 0.00 -0.61 0.00 0.00 39.78 39.85 1om4 n ASN 411 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1om4 s ALA 412 N -2.18 2.25 0.58 5.41 0.00 -0.49 -4.70 121.76 122.63 1om4 s ALA 412 Ca 0.31 -1.09 0.28 0.00 0.00 0.00 0.00 51.96 51.47 1om4 s ALA 412 Cb 0.20 -4.36 1.61 0.00 0.00 0.00 0.00 23.12 20.58 1om4 s ALA 412 CO 0.40 -3.90 2.08 0.66 0.00 0.00 0.00 175.76 175.01 1om4 h SER 413 N 12.81 0.00 -0.05 0.00 4.64 -1.89 -1.58 113.55 127.49 1om4 h SER 413 Ca -0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 1om4 h SER 413 Cb 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 1om4 h SER 413 CO 1.25 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 177.75 1om4 n ARG 414 N -3.87 1.73 -3.45 4.77 1.74 -1.26 -0.71 116.66 115.61 1om4 n ARG 414 Ca 0.02 -1.06 -0.39 0.00 -0.77 0.00 0.00 57.85 55.65 1om4 n ARG 414 Cb 0.35 -1.46 -0.10 0.00 -1.02 0.00 0.00 32.46 30.24 1om4 n ARG 414 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1om4 n VAL 416 N 5.11 0.25 -0.66 0.00 3.14 -1.26 -3.92 118.33 120.99 1om4 n VAL 416 Ca -0.10 -0.15 0.05 0.00 -2.96 0.00 0.00 64.34 61.18 1om4 n VAL 416 Cb 0.51 -0.24 0.34 0.00 -1.06 0.00 0.00 33.84 33.40 1om4 n VAL 416 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1om4 n GLY 417 N 1.41 2.85 0.00 7.55 0.00 -1.26 -4.47 105.19 111.27 1om4 n GLY 417 Ca 0.05 -0.81 0.03 0.00 0.00 0.00 0.00 46.02 45.30 1om4 n GLY 417 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1om4 n ARG 418 N 0.48 0.09 0.31 1.61 1.74 -1.25 -2.18 116.66 117.45 1om4 n ARG 418 Ca 0.25 0.23 0.20 0.00 -0.77 0.00 0.00 57.85 57.76 1om4 n ARG 418 Cb 1.10 -1.50 1.00 0.00 -1.02 0.00 0.00 32.46 32.03 1om4 n ARG 418 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 1om4 h ILE 419 N 0.00 0.08 -0.12 0.55 2.10 -1.90 -1.12 117.51 117.10 1om4 h ILE 419 Ca 0.00 -0.21 0.00 0.00 1.08 0.00 0.00 64.86 65.73 1om4 h ILE 419 Cb 0.07 1.19 0.00 0.00 -1.09 0.00 0.00 36.82 36.99 1om4 h ILE 419 CO 0.00 0.01 0.00 0.00 -1.08 0.00 0.00 178.15 177.08 1om4 n GLN 420 N -3.17 1.81 -0.32 2.19 1.13 -0.93 -4.63 117.38 113.46 1om4 n GLN 420 Ca -0.02 -1.20 0.19 0.00 -1.94 0.00 0.00 57.00 54.03 1om4 n GLN 420 Cb 0.16 -1.44 0.45 0.00 0.11 0.00 0.00 30.24 29.52 1om4 n GLN 420 CO 0.00 0.00 0.00 0.11 -1.44 0.00 0.00 177.06 175.73 1om4 h TRP 421 N 2.61 0.77 0.00 1.08 5.08 -1.41 0.19 115.95 124.28 1om4 h TRP 421 Ca 0.00 0.03 0.00 0.00 1.08 0.00 0.00 58.89 60.00 1om4 h TRP 421 Cb 0.56 -0.23 0.00 0.00 -3.00 0.00 0.00 29.16 26.50 1om4 h TRP 421 CO 0.07 0.12 0.00 -1.13 -1.28 0.00 0.00 178.44 176.23 1om4 n SER 422 N -4.66 0.00 -4.16 0.11 3.41 -1.26 -4.22 113.62 102.84 1om4 n SER 422 Ca 0.24 0.48 -0.39 0.00 -0.26 0.00 0.00 58.87 58.94 1om4 n SER 422 Cb 0.75 -0.49 -0.06 0.00 -0.26 0.00 0.00 64.21 64.15 1om4 n SER 422 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1om4 s LYS 423 N -2.98 3.18 -0.03 4.33 1.02 0.06 -5.00 119.74 120.31 1om4 s LYS 423 Ca 0.10 -2.92 -0.01 0.00 0.02 0.00 0.00 55.97 53.16 1om4 s LYS 423 Cb 0.14 -4.00 0.03 0.00 -0.52 0.00 0.00 37.83 33.47 1om4 s LYS 423 CO 0.38 -1.24 0.03 -1.17 -0.92 0.00 0.00 175.35 172.44 1om4 s LEU 424 N -0.72 0.75 -0.25 3.17 2.96 -1.26 -4.63 118.68 118.69 1om4 s LEU 424 Ca 0.23 0.04 -0.22 0.00 -0.22 0.00 0.00 54.13 53.96 1om4 s LEU 424 Cb -0.12 -0.13 -0.01 0.00 0.50 0.00 0.00 46.19 46.43 1om4 s LEU 424 CO -0.09 -0.17 0.71 -1.58 -1.32 0.00 0.00 176.35 173.91 1om4 s GLN 425 N 1.47 4.12 -0.26 1.98 2.00 -0.63 -4.97 119.66 123.38 1om4 s GLN 425 Ca -0.04 0.68 -0.09 0.00 -2.00 0.00 0.00 55.36 53.91 1om4 s GLN 425 Cb -0.13 -3.66 -0.04 0.00 0.80 0.00 0.00 33.01 29.99 1om4 s GLN 425 CO -0.03 -0.47 0.12 0.08 -0.50 0.00 0.00 175.29 174.49 1om4 s VAL 426 N 2.66 4.75 -0.29 1.34 1.01 -1.26 -1.01 120.40 127.60 1om4 s VAL 426 Ca 0.30 -0.02 -0.11 0.00 0.00 0.00 0.00 61.98 62.15 1om4 s VAL 426 Cb -0.15 -3.24 -0.04 0.00 0.00 0.00 0.00 36.38 32.94 1om4 s VAL 426 CO 0.08 0.30 0.18 -0.36 0.00 0.00 0.00 175.10 175.30 1om4 s PHE 427 N 1.67 3.20 -0.59 5.22 0.08 0.63 -4.98 117.98 123.20 1om4 s PHE 427 Ca 0.07 -0.04 -0.23 0.00 0.12 0.00 0.00 56.93 56.84 1om4 s PHE 427 Cb -0.15 -2.37 0.05 0.00 -0.57 0.00 0.00 43.02 39.98 1om4 s PHE 427 CO 0.07 -0.23 0.94 0.34 -0.10 0.00 0.00 175.22 176.23 1om4 s ASP 428 N 1.73 6.27 -0.32 1.36 3.68 -1.26 -1.33 116.67 126.79 1om4 s ASP 428 Ca 0.07 -0.62 0.08 0.00 2.13 0.00 0.00 52.55 54.21 1om4 s ASP 428 Cb -0.16 -2.42 0.55 0.00 -1.45 0.00 0.00 42.92 39.43 1om4 s ASP 428 CO 0.10 -1.30 1.56 0.00 0.13 0.00 0.00 175.17 175.66 1om4 n ALA 429 N 7.52 4.52 0.61 3.66 0.00 -0.02 -4.66 120.51 132.14 1om4 n ALA 429 Ca -0.01 -3.03 0.08 0.00 0.00 0.00 0.00 53.44 50.48 1om4 n ALA 429 Cb 0.47 -0.89 0.37 0.00 0.00 0.00 0.00 19.45 19.39 1om4 n ALA 429 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1om4 n ARG 430 N -1.07 0.03 -0.01 0.00 1.74 -1.10 -2.02 116.66 114.22 1om4 n ARG 430 Ca 0.38 0.20 0.13 0.00 -0.77 0.00 0.00 57.85 57.79 1om4 n ARG 430 Cb 1.17 -1.50 0.41 0.00 -1.02 0.00 0.00 32.46 31.51 1om4 n ARG 430 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1om4 n ASP 431 N -1.47 1.92 -4.77 0.55 5.75 -1.26 -4.50 116.55 112.77 1om4 n ASP 431 Ca 0.05 -1.65 -0.41 0.00 -0.01 0.00 0.00 54.79 52.77 1om4 n ASP 431 Cb 0.19 -0.02 -0.03 0.00 -1.03 0.00 0.00 41.12 40.23 1om4 n ASP 431 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1om4 n THR 433 N 0.97 0.00 -4.28 0.00 -2.24 -1.26 -4.77 114.28 102.70 1om4 n THR 433 Ca -0.00 -0.13 -0.15 0.00 -2.27 0.00 0.00 64.05 61.50 1om4 n THR 433 Cb 0.43 0.62 -0.10 0.00 -2.10 0.00 0.00 70.33 69.17 1om4 n THR 433 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1om4 s THR 434 N -0.83 0.80 0.29 4.28 -4.23 -1.26 -4.57 115.64 110.11 1om4 s THR 434 Ca 0.00 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.50 1om4 s THR 434 Cb 0.00 -2.25 0.17 0.00 1.34 0.00 0.00 72.50 71.76 1om4 s THR 434 CO 0.00 -0.38 1.85 0.00 -0.54 0.00 0.00 174.62 175.56 1om4 h ALA 435 N 2.59 1.26 -0.31 3.99 0.00 -1.88 -0.00 119.26 124.90 1om4 h ALA 435 Ca -0.37 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.29 1om4 h ALA 435 Cb 1.22 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 1om4 h ALA 435 CO 0.63 0.53 -0.11 0.45 0.00 0.00 0.00 179.25 180.75 1om4 h HIS 436 N 0.81 0.56 -0.50 0.00 3.86 -1.96 -0.05 115.15 117.87 1om4 h HIS 436 Ca 0.19 -0.08 -0.11 0.00 -1.16 0.00 0.00 60.37 59.20 1om4 h HIS 436 Cb 0.23 -0.15 -0.02 0.00 1.06 0.00 0.00 27.41 28.53 1om4 h HIS 436 CO 0.01 0.62 -0.13 0.78 0.86 0.00 0.00 177.93 180.07 1om4 h GLY 437 N 0.92 1.03 1.02 2.45 0.00 -1.62 -2.01 103.07 104.86 1om4 h GLY 437 Ca 0.09 -0.83 -0.06 0.00 0.00 0.00 0.00 47.33 46.53 1om4 h GLY 437 CO 0.03 0.76 0.15 -0.33 0.00 0.00 0.00 176.54 177.14 1om4 h MET 438 N 0.84 0.98 -0.46 4.80 0.00 -0.32 -1.69 114.93 119.08 1om4 h MET 438 Ca 0.13 -0.24 0.02 0.00 0.00 0.00 0.00 59.70 59.61 1om4 h MET 438 Cb 0.68 -0.13 -0.03 0.00 0.00 0.00 0.00 31.60 32.12 1om4 h MET 438 CO 0.05 0.90 0.28 0.35 0.00 0.00 0.00 176.91 178.48 1om4 h PHE 439 N 0.90 0.52 -0.17 -0.22 3.04 -0.76 0.20 116.94 120.44 1om4 h PHE 439 Ca 0.19 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.16 1om4 h PHE 439 Cb 0.36 -0.17 -0.01 0.00 2.56 0.00 0.00 35.95 38.69 1om4 h PHE 439 CO 0.03 0.30 0.11 -0.97 -2.02 0.00 0.00 178.31 175.76 1om4 h ASN 440 N 0.55 0.19 -0.91 0.41 -1.24 -1.11 0.09 115.58 113.56 1om4 h ASN 440 Ca 0.18 -0.01 0.03 0.00 0.71 0.00 0.00 56.30 57.21 1om4 h ASN 440 Cb 0.01 -0.05 -0.05 0.00 0.73 0.00 0.00 38.32 38.96 1om4 h ASN 440 CO -0.08 0.14 0.60 1.88 -1.29 0.00 0.00 177.43 178.68 1om4 h TYR 441 N 0.23 1.12 -0.21 0.67 -1.99 -0.92 -1.98 116.97 113.89 1om4 h TYR 441 Ca 0.06 0.03 -0.12 0.00 2.00 0.00 0.00 58.73 60.70 1om4 h TYR 441 Cb -0.02 -0.37 -0.01 0.00 2.00 0.00 0.00 36.73 38.32 1om4 h TYR 441 CO -0.07 0.66 -0.40 0.82 -0.00 0.00 0.00 178.16 179.18 1om4 h ILE 442 N 1.17 1.30 -0.44 -2.88 2.04 -0.52 -1.48 117.51 116.71 1om4 h ILE 442 Ca 0.35 -1.54 -0.04 0.00 1.00 0.00 0.00 64.86 64.63 1om4 h ILE 442 Cb -0.04 1.58 -0.02 0.00 -0.74 0.00 0.00 36.82 37.60 1om4 h ILE 442 CO -0.11 0.48 0.11 0.00 0.00 0.00 0.00 178.15 178.64 1om4 h ASN 444 N 0.57 0.62 0.01 0.00 2.35 -1.14 -0.77 115.58 117.21 1om4 h ASN 444 Ca 0.14 -0.07 -0.00 0.00 -0.55 0.00 0.00 56.30 55.81 1om4 h ASN 444 Cb 0.31 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.52 1om4 h ASN 444 CO 0.00 0.57 -0.00 -0.74 -1.65 0.00 0.00 177.43 175.61 1om4 h HIS 445 N 0.67 -0.01 -0.72 1.19 2.76 -0.93 -1.10 115.15 117.02 1om4 h HIS 445 Ca 0.16 -0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.35 1om4 h HIS 445 Cb 0.16 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 29.08 1om4 h HIS 445 CO 0.01 0.31 0.47 0.28 -1.30 0.00 0.00 177.93 177.70 1om4 h VAL 446 N -0.32 1.16 -0.33 5.26 2.07 -0.87 0.25 116.25 123.46 1om4 h VAL 446 Ca -0.00 -0.32 -0.06 0.00 0.82 0.00 0.00 66.70 67.13 1om4 h VAL 446 Cb 0.32 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.21 1om4 h VAL 446 CO 0.00 0.17 -0.04 0.50 0.02 0.00 0.00 177.57 178.23 1om4 h LYS 447 N 0.95 0.61 0.05 1.57 3.64 -1.14 -0.42 116.57 121.83 1om4 h LYS 447 Ca 0.27 -0.21 -0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1om4 h LYS 447 Cb -0.08 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.70 1om4 h LYS 447 CO -0.07 0.76 -0.03 -0.92 -2.27 0.00 0.00 179.45 176.92 1om4 h TYR 448 N 0.40 -0.07 -0.76 1.91 3.20 -0.85 -2.27 116.97 118.53 1om4 h TYR 448 Ca 0.09 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.91 1om4 h TYR 448 Cb 0.51 0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.77 1om4 h TYR 448 CO 0.04 0.09 0.31 0.00 -1.64 0.00 0.00 178.16 176.96 1om4 h ALA 449 N 0.73 0.99 -0.31 1.82 0.00 -0.49 -3.09 119.26 118.92 1om4 h ALA 449 Ca -0.01 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 1om4 h ALA 449 Cb 0.18 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1om4 h ALA 449 CO 0.01 0.61 0.02 1.15 0.00 0.00 0.00 179.25 181.04 1om4 h THR 450 N 1.10 1.25 -6.74 0.00 2.02 -1.04 0.27 112.91 109.77 1om4 h THR 450 Ca 0.25 -0.90 -0.55 0.00 0.77 0.00 0.00 66.41 65.98 1om4 h THR 450 Cb 0.21 1.24 -0.13 0.00 -1.74 0.00 0.00 68.15 67.73 1om4 h THR 450 CO -0.02 0.29 -0.91 -3.20 0.37 0.00 0.00 175.52 172.05 1om4 n ASN 451 N -4.58 -0.26 -2.37 4.18 4.05 -0.86 -0.28 115.26 115.14 1om4 n ASN 451 Ca -0.02 -1.10 -0.13 0.00 0.45 0.00 0.00 54.58 53.77 1om4 n ASN 451 Cb 0.25 -2.49 -0.01 0.00 1.23 0.00 0.00 39.78 38.75 1om4 n ASN 451 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 1om4 n LYS 452 N -4.45 -2.11 0.00 1.20 5.02 -1.26 -1.65 118.16 114.91 1om4 n LYS 452 Ca -0.26 0.66 0.00 0.00 -2.02 0.00 0.00 58.31 56.69 1om4 n LYS 452 Cb 0.66 -5.24 0.00 0.00 -0.02 0.00 0.00 35.03 30.43 1om4 n LYS 452 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1om4 n GLY 453 N -0.79 2.91 3.19 0.72 0.00 0.61 -4.94 105.19 106.90 1om4 n GLY 453 Ca -0.16 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.43 1om4 n GLY 453 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1om4 n ASN 454 N 0.00 5.44 -4.63 1.61 4.05 -0.66 -0.88 115.26 120.19 1om4 n ASN 454 Ca 0.00 -3.10 -0.45 0.00 0.45 0.00 0.00 54.58 51.48 1om4 n ASN 454 Cb 0.00 -1.46 -0.02 0.00 1.23 0.00 0.00 39.78 39.53 1om4 n ASN 454 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 1om4 n LEU 455 N 3.86 2.48 -4.09 1.20 4.32 -1.24 -4.49 117.00 119.03 1om4 n LEU 455 Ca 0.33 1.17 -0.28 0.00 -0.02 0.00 0.00 56.01 57.21 1om4 n LEU 455 Cb 0.39 -1.35 -0.17 0.00 -1.62 0.00 0.00 43.42 40.66 1om4 n LEU 455 CO 0.67 -0.93 -0.50 -0.13 -1.22 0.00 0.00 177.39 175.27 1om4 s ARG 456 N -1.06 2.26 0.30 3.23 0.52 0.08 -5.00 118.95 119.29 1om4 s ARG 456 Ca 0.64 -0.60 -0.29 0.00 -0.52 0.00 0.00 55.73 54.95 1om4 s ARG 456 Cb -0.69 -1.82 -0.10 0.00 0.52 0.00 0.00 34.95 32.86 1om4 s ARG 456 CO 0.56 0.05 1.37 -1.12 0.02 0.00 0.00 175.30 176.18 1om4 s SER 457 N 0.67 6.69 0.15 0.23 0.01 -1.26 -4.45 113.70 115.74 1om4 s SER 457 Ca -0.13 2.70 -0.20 0.00 1.31 0.00 0.00 55.95 59.63 1om4 s SER 457 Cb -0.16 -2.64 0.05 0.00 0.21 0.00 0.00 66.02 63.48 1om4 s SER 457 CO 0.04 -0.63 0.53 0.00 0.41 0.00 0.00 173.24 173.58 1om4 s ALA 458 N -0.65 -1.30 -0.07 1.44 0.00 -0.48 -1.60 121.76 119.10 1om4 s ALA 458 Ca 0.54 0.22 -0.06 0.00 0.00 0.00 0.00 51.96 52.66 1om4 s ALA 458 Cb -0.41 0.82 0.02 0.00 0.00 0.00 0.00 23.12 23.55 1om4 s ALA 458 CO 0.50 -0.73 0.18 -1.50 0.00 0.00 0.00 175.76 174.20 1om4 s ILE 459 N -3.78 -0.00 -0.16 0.00 2.07 -0.18 -0.56 121.20 118.57 1om4 s ILE 459 Ca 0.03 0.02 -0.01 0.00 -1.41 0.00 0.00 60.65 59.28 1om4 s ILE 459 Cb -0.00 -0.27 -0.00 0.00 0.13 0.00 0.00 42.46 42.32 1om4 s ILE 459 CO -0.11 0.01 -0.13 -0.89 -1.91 0.00 0.00 174.94 171.90 1om4 s THR 460 N 0.22 2.86 -0.30 4.00 2.01 -0.47 -0.27 115.64 123.67 1om4 s THR 460 Ca -0.01 -0.70 -0.04 0.00 0.31 0.00 0.00 61.69 61.25 1om4 s THR 460 Cb -0.02 -2.22 0.03 0.00 0.01 0.00 0.00 72.50 70.30 1om4 s THR 460 CO -0.01 0.50 0.04 -0.63 -0.69 0.00 0.00 174.62 173.84 1om4 s ILE 461 N 0.86 3.43 0.75 1.82 1.01 -0.44 -3.14 121.20 125.48 1om4 s ILE 461 Ca -0.04 -1.11 -0.07 0.00 0.00 0.00 0.00 60.65 59.43 1om4 s ILE 461 Cb -0.15 -2.89 0.09 0.00 0.01 0.00 0.00 42.46 39.53 1om4 s ILE 461 CO -0.00 -0.05 1.06 -0.36 0.00 0.00 0.00 174.94 175.59 1om4 s PHE 462 N 1.36 2.53 0.34 3.97 0.08 -0.88 -0.84 117.98 124.55 1om4 s PHE 462 Ca -0.02 0.32 -0.26 0.00 0.12 0.00 0.00 56.93 57.09 1om4 s PHE 462 Cb -0.19 -3.31 -0.13 0.00 -0.57 0.00 0.00 43.02 38.82 1om4 s PHE 462 CO 0.00 -1.64 1.00 -2.30 -0.10 0.00 0.00 175.22 172.18 1om4 n PRO 463 N -3.04 1.36 -1.32 0.24 -0.02 -1.25 -4.69 135.00 126.27 1om4 n PRO 463 Ca 0.10 0.48 -0.31 0.00 -2.02 0.00 0.00 63.50 61.76 1om4 n PRO 463 Cb 0.60 -1.92 0.10 0.00 -0.02 0.00 0.00 33.50 32.26 1om4 n PRO 463 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 1om4 s GLN 464 N -1.72 2.08 0.47 -0.52 -2.07 -1.26 -4.59 119.66 112.04 1om4 s GLN 464 Ca 0.60 1.00 -0.23 0.00 -1.82 0.00 0.00 55.36 54.90 1om4 s GLN 464 Cb -0.64 -1.89 -0.07 0.00 -1.09 0.00 0.00 33.01 29.32 1om4 s GLN 464 CO 0.59 -1.72 1.22 0.50 -1.32 0.00 0.00 175.29 174.56 1om4 s ARG 465 N -4.96 3.68 0.00 9.60 3.52 0.77 -4.91 118.95 126.65 1om4 s ARG 465 Ca 0.61 1.92 0.00 0.00 -0.13 0.00 0.00 55.73 58.13 1om4 s ARG 465 Cb -0.17 -2.44 0.00 0.00 -1.56 0.00 0.00 34.95 30.78 1om4 s ARG 465 CO 0.56 -0.66 0.00 0.25 -0.81 0.00 0.00 175.30 174.64 1om4 n THR 466 N -0.48 0.00 0.36 4.11 -2.24 -1.26 -4.76 114.28 110.01 1om4 n THR 466 Ca 0.07 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.95 1om4 n THR 466 Cb 0.47 -0.48 0.17 0.00 -2.10 0.00 0.00 70.33 68.38 1om4 n THR 466 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1om4 n ASP 467 N -0.84 3.11 0.00 3.42 3.85 -1.26 -4.83 116.55 120.00 1om4 n ASP 467 Ca 0.00 -1.91 0.00 0.00 -0.71 0.00 0.00 54.79 52.17 1om4 n ASP 467 Cb 0.00 -0.18 0.00 0.00 -1.35 0.00 0.00 41.12 39.59 1om4 n ASP 467 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1om4 n GLY 468 N 1.23 1.61 0.38 6.12 0.00 -1.26 -4.83 105.19 108.44 1om4 n GLY 468 Ca 0.16 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.26 1om4 n GLY 468 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1om4 n LYS 469 N -2.00 1.65 -1.16 1.61 5.02 -1.26 -4.49 118.16 117.53 1om4 n LYS 469 Ca 0.00 -0.85 0.00 0.00 -2.02 0.00 0.00 58.31 55.44 1om4 n LYS 469 Cb 0.00 -1.28 0.13 0.00 -0.02 0.00 0.00 35.03 33.86 1om4 n LYS 469 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1om4 n HIS 470 N -0.06 0.53 -1.81 2.13 8.25 -1.26 -4.33 115.22 118.67 1om4 n HIS 470 Ca 0.07 -1.45 -0.38 0.00 -0.26 0.00 0.00 57.72 55.70 1om4 n HIS 470 Cb 0.34 -0.24 0.04 0.00 1.12 0.00 0.00 29.99 31.25 1om4 n HIS 470 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1om4 s ASP 471 N -3.07 5.20 -0.16 0.41 -0.00 -1.26 -2.80 116.67 114.99 1om4 s ASP 471 Ca 0.39 2.71 -0.08 0.00 -0.00 0.00 0.00 52.55 55.56 1om4 s ASP 471 Cb 0.38 -2.63 -0.04 0.00 -0.00 0.00 0.00 42.92 40.62 1om4 s ASP 471 CO -0.07 -1.61 0.11 -0.36 -0.00 0.00 0.00 175.17 173.24 1om4 s PHE 472 N -1.34 3.43 -0.05 4.23 0.40 -1.26 -0.28 117.98 123.11 1om4 s PHE 472 Ca 0.73 0.34 -0.10 0.00 -0.60 0.00 0.00 56.93 57.31 1om4 s PHE 472 Cb -0.39 -2.04 0.02 0.00 0.51 0.00 0.00 43.02 41.12 1om4 s PHE 472 CO 0.45 0.44 0.23 1.03 0.70 0.00 0.00 175.22 178.07 1om4 s ARG 473 N -0.22 0.42 -0.31 0.44 1.81 0.16 -3.39 118.95 117.86 1om4 s ARG 473 Ca 0.10 0.04 -0.09 0.00 -1.72 0.00 0.00 55.73 54.05 1om4 s ARG 473 Cb -0.12 0.19 -0.00 0.00 -0.45 0.00 0.00 34.95 34.57 1om4 s ARG 473 CO 0.01 -0.09 0.15 0.08 -0.68 0.00 0.00 175.30 174.77 1om4 s VAL 474 N -0.57 4.56 0.17 3.52 1.01 -1.26 -0.79 120.40 127.04 1om4 s VAL 474 Ca -0.07 -0.45 0.21 0.00 0.00 0.00 0.00 61.98 61.68 1om4 s VAL 474 Cb -0.04 -3.34 0.19 0.00 0.00 0.00 0.00 36.38 33.19 1om4 s VAL 474 CO 0.01 0.06 1.79 -0.50 0.00 0.00 0.00 175.10 176.47 1om4 h TRP 475 N 8.35 0.00 -4.11 5.22 4.06 -1.55 -3.43 115.95 124.48 1om4 h TRP 475 Ca -0.32 0.00 -0.53 0.00 2.06 0.00 0.00 58.89 60.10 1om4 h TRP 475 Cb 1.14 0.00 0.12 0.00 -1.00 0.00 0.00 29.16 29.43 1om4 h TRP 475 CO 0.64 0.29 0.46 -0.80 -3.56 0.00 0.00 178.44 175.47 1om4 s ASN 476 N -6.32 4.99 0.15 -3.49 -0.87 -1.26 -4.92 114.94 103.21 1om4 s ASN 476 Ca 0.00 2.40 0.11 0.00 -1.57 0.00 0.00 52.86 53.80 1om4 s ASN 476 Cb 0.11 -2.60 -0.11 0.00 -0.02 0.00 0.00 41.25 38.63 1om4 s ASN 476 CO 0.66 -1.73 1.21 0.77 -2.57 0.00 0.00 177.10 175.44 1om4 h SER 477 N 0.66 0.00 -4.77 -1.22 4.64 -1.90 -3.36 113.55 107.61 1om4 h SER 477 Ca -0.50 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 60.65 1om4 h SER 477 Cb 1.30 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 63.17 1om4 h SER 477 CO 0.54 0.78 -0.66 -1.10 -0.87 0.00 0.00 176.83 175.52 1om4 s GLN 478 N -2.81 0.29 0.29 4.77 -0.21 -1.26 -0.90 119.66 119.84 1om4 s GLN 478 Ca 0.01 -0.46 -0.02 0.00 0.02 0.00 0.00 55.36 54.90 1om4 s GLN 478 Cb 0.09 0.11 0.42 0.00 1.00 0.00 0.00 33.01 34.63 1om4 s GLN 478 CO 0.79 -0.05 1.95 -0.07 -2.12 0.00 0.00 175.29 175.79 1om4 h LEU 479 N 4.84 0.99 -8.11 2.90 3.38 -1.40 -3.39 115.31 114.52 1om4 h LEU 479 Ca -0.30 -0.02 -0.66 0.00 0.09 0.00 0.00 57.88 56.99 1om4 h LEU 479 Cb 1.21 -0.24 -0.35 0.00 0.09 0.00 0.00 40.66 41.37 1om4 h LEU 479 CO 0.42 0.70 -0.86 -0.63 0.09 0.00 0.00 178.44 178.16 1om4 s ILE 480 N -5.97 1.99 0.10 1.22 1.01 -1.26 -4.87 121.20 113.42 1om4 s ILE 480 Ca -0.12 -0.92 -0.24 0.00 0.00 0.00 0.00 60.65 59.38 1om4 s ILE 480 Cb 0.18 -1.78 0.06 0.00 0.01 0.00 0.00 42.46 40.93 1om4 s ILE 480 CO 0.80 0.53 0.58 -0.13 0.00 0.00 0.00 174.94 176.72 1om4 s ARG 481 N 1.07 1.18 0.07 2.79 0.52 -1.26 -4.82 118.95 118.50 1om4 s ARG 481 Ca -0.01 -0.33 -0.13 0.00 -0.52 0.00 0.00 55.73 54.74 1om4 s ARG 481 Cb -0.14 0.54 -0.06 0.00 0.52 0.00 0.00 34.95 35.81 1om4 s ARG 481 CO -0.07 -0.48 0.45 0.71 0.02 0.00 0.00 175.30 175.94 1om4 s TYR 482 N -3.10 3.65 0.71 -0.53 4.12 -1.26 -0.64 117.35 120.30 1om4 s TYR 482 Ca -0.02 0.96 -0.13 0.00 0.02 0.00 0.00 57.07 57.90 1om4 s TYR 482 Cb -0.00 -2.28 0.02 0.00 -1.52 0.00 0.00 41.96 38.18 1om4 s TYR 482 CO -0.07 0.54 1.10 0.00 0.02 0.00 0.00 175.55 177.14 1om4 s ALA 483 N -1.30 2.38 -0.02 3.71 0.00 -0.00 -4.41 121.76 122.13 1om4 s ALA 483 Ca 0.31 0.43 0.03 0.00 0.00 0.00 0.00 51.96 52.73 1om4 s ALA 483 Cb -0.15 -3.30 -0.00 0.00 0.00 0.00 0.00 23.12 19.66 1om4 s ALA 483 CO 0.17 -1.48 -0.11 0.20 0.00 0.00 0.00 175.76 174.54 1om4 s GLY 484 N -2.92 0.57 -0.08 0.00 0.00 -1.23 -1.39 107.32 102.27 1om4 s GLY 484 Ca 0.64 -0.44 0.00 0.00 0.00 0.00 0.00 44.72 44.93 1om4 s GLY 484 CO 0.48 -0.27 -0.07 -0.19 0.00 0.00 0.00 173.10 173.04 1om4 s TYR 485 N -0.05 1.24 -0.24 1.90 1.51 0.14 -4.21 117.35 117.65 1om4 s TYR 485 Ca 0.01 -0.52 -0.26 0.00 -1.01 0.00 0.00 57.07 55.29 1om4 s TYR 485 Cb -0.07 -1.03 -0.00 0.00 -0.11 0.00 0.00 41.96 40.75 1om4 s TYR 485 CO 0.00 -0.37 0.90 0.21 -1.11 0.00 0.00 175.55 175.18 1om4 s LYS 486 N 1.30 4.21 0.43 -0.62 2.47 -1.26 -0.59 119.74 125.68 1om4 s LYS 486 Ca -0.03 1.08 -0.08 0.00 -1.56 0.00 0.00 55.97 55.38 1om4 s LYS 486 Cb -0.14 -3.64 -0.05 0.00 -1.46 0.00 0.00 37.83 32.54 1om4 s LYS 486 CO -0.03 -0.55 0.76 -0.65 0.16 0.00 0.00 175.35 175.04 1om4 s GLN 487 N 2.93 3.66 0.55 4.03 -1.52 0.23 -4.97 119.66 124.57 1om4 s GLN 487 Ca 0.38 0.31 0.22 0.00 -1.95 0.00 0.00 55.36 54.32 1om4 s GLN 487 Cb -0.15 -2.41 1.50 0.00 -0.22 0.00 0.00 33.01 31.73 1om4 s GLN 487 CO 0.07 -0.08 2.19 -1.00 -0.25 0.00 0.00 175.29 176.21 1om4 h PRO 488 N 0.85 0.00 0.00 2.91 0.13 -1.96 -0.35 132.00 133.58 1om4 h PRO 488 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1om4 h PRO 488 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1om4 h PRO 488 CO 0.63 0.01 0.00 -0.40 -0.23 0.00 0.00 178.00 178.01 1om4 n ASP 489 N -4.21 0.00 0.00 1.44 3.85 -1.26 -4.86 116.55 111.51 1om4 n ASP 489 Ca -0.03 -1.34 0.00 0.00 -0.71 0.00 0.00 54.79 52.71 1om4 n ASP 489 Cb 0.10 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 39.87 1om4 n ASP 489 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1om4 n GLY 490 N 0.60 1.49 3.92 6.12 0.00 -0.14 -5.05 105.19 112.12 1om4 n GLY 490 Ca 0.11 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.85 1om4 n GLY 490 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1om4 s SER 491 N -2.74 4.15 -0.04 1.61 1.04 -1.26 -4.78 113.70 111.68 1om4 s SER 491 Ca 0.00 0.48 0.04 0.00 0.48 0.00 0.00 55.95 56.95 1om4 s SER 491 Cb 0.00 -0.87 -0.00 0.00 0.10 0.00 0.00 66.02 65.25 1om4 s SER 491 CO 0.00 -2.08 -0.16 -0.89 0.98 0.00 0.00 173.24 171.09 1om4 s THR 492 N -3.57 1.30 -0.20 2.02 2.01 -1.26 -0.60 115.64 115.33 1om4 s THR 492 Ca 0.65 -0.65 -0.07 0.00 0.31 0.00 0.00 61.69 61.94 1om4 s THR 492 Cb -0.08 -1.12 -0.03 0.00 0.01 0.00 0.00 72.50 71.27 1om4 s THR 492 CO 0.49 0.38 0.04 -0.22 -0.69 0.00 0.00 174.62 174.62 1om4 s LEU 493 N 0.06 3.56 0.00 4.42 2.96 0.24 -4.92 118.68 124.99 1om4 s LEU 493 Ca -0.03 -0.07 0.00 0.00 -0.22 0.00 0.00 54.13 53.81 1om4 s LEU 493 Cb -0.11 -1.91 0.00 0.00 0.50 0.00 0.00 46.19 44.67 1om4 s LEU 493 CO 0.02 0.10 0.00 0.61 -1.32 0.00 0.00 176.35 175.75 1om4 n GLY 494 N 4.04 -0.37 3.53 7.98 0.00 -1.26 0.28 105.19 119.39 1om4 n GLY 494 Ca -0.17 -1.60 -0.43 0.00 0.00 0.00 0.00 46.02 43.83 1om4 n GLY 494 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1om4 s ASP 495 N -4.00 6.37 0.55 1.61 -1.08 -0.48 -4.79 116.67 114.85 1om4 s ASP 495 Ca 0.00 -0.21 0.26 0.00 -0.52 0.00 0.00 52.55 52.07 1om4 s ASP 495 Cb 0.00 -2.35 1.48 0.00 -1.46 0.00 0.00 42.92 40.59 1om4 s ASP 495 CO 0.00 -0.84 2.04 -0.65 0.52 0.00 0.00 175.17 176.25 1om4 h PRO 496 N 8.91 0.00 0.00 4.34 0.11 -1.81 -1.95 132.00 141.60 1om4 h PRO 496 Ca -0.25 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.85 1om4 h PRO 496 Cb 1.09 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 1om4 h PRO 496 CO 0.92 0.00 -0.06 0.00 -0.21 0.00 0.00 178.00 178.65 1om4 h ALA 497 N 1.76 1.11 -0.34 -0.75 0.00 -1.92 -3.07 119.26 116.04 1om4 h ALA 497 Ca 0.16 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1om4 h ALA 497 Cb 0.71 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1om4 h ALA 497 CO -0.00 0.08 0.00 0.09 0.00 0.00 0.00 179.25 179.42 1om4 n ASN 498 N -3.32 3.73 -0.08 0.00 3.02 -0.73 -4.71 115.26 113.17 1om4 n ASN 498 Ca -0.01 -2.62 -0.07 0.00 -0.03 0.00 0.00 54.58 51.84 1om4 n ASN 498 Cb 0.23 -0.45 -0.00 0.00 -0.61 0.00 0.00 39.78 38.95 1om4 n ASN 498 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1om4 h VAL 499 N 2.18 0.90 -0.40 2.41 2.07 -1.64 0.78 116.25 122.56 1om4 h VAL 499 Ca 0.00 -0.07 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 1om4 h VAL 499 Cb 1.23 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 31.66 1om4 h VAL 499 CO 0.16 0.04 0.18 -0.61 0.02 0.00 0.00 177.57 177.36 1om4 h GLN 500 N 0.21 0.58 -0.62 1.57 4.15 -1.86 -1.05 115.11 118.09 1om4 h GLN 500 Ca 0.13 -0.09 -0.08 0.00 0.77 0.00 0.00 58.65 59.38 1om4 h GLN 500 Cb 0.11 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.68 1om4 h GLN 500 CO -0.15 0.52 0.07 0.35 -1.93 0.00 0.00 178.83 177.69 1om4 h PHE 501 N 0.50 1.09 -0.61 3.99 3.57 -1.85 -2.17 116.94 121.46 1om4 h PHE 501 Ca 0.13 -0.15 -0.00 0.00 3.53 0.00 0.00 57.97 61.48 1om4 h PHE 501 Cb 0.14 -0.30 -0.03 0.00 2.79 0.00 0.00 35.95 38.55 1om4 h PHE 501 CO -0.01 0.93 0.38 1.15 -2.23 0.00 0.00 178.31 178.53 1om4 h THR 502 N 0.96 1.17 -0.66 4.41 2.02 -0.57 -0.76 112.91 119.48 1om4 h THR 502 Ca 0.19 -0.37 -0.01 0.00 0.77 0.00 0.00 66.41 66.98 1om4 h THR 502 Cb 0.45 0.32 -0.03 0.00 -1.74 0.00 0.00 68.15 67.15 1om4 h THR 502 CO 0.02 0.18 0.35 -0.33 0.37 0.00 0.00 175.52 176.11 1om4 h GLU 503 N 0.83 0.91 -0.33 6.66 5.08 -0.91 -0.20 114.58 126.61 1om4 h GLU 503 Ca 0.22 -0.10 -0.05 0.00 -1.00 0.00 0.00 59.36 58.44 1om4 h GLU 503 Cb -0.04 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.02 1om4 h GLU 503 CO -0.04 0.67 0.02 0.82 -1.00 0.00 0.00 179.01 179.48 1om4 h ILE 504 N 0.91 1.25 -0.55 3.13 2.04 -0.73 -1.09 117.51 122.47 1om4 h ILE 504 Ca 0.23 -0.90 0.01 0.00 1.00 0.00 0.00 64.86 65.20 1om4 h ILE 504 Cb 0.03 1.20 -0.03 0.00 -0.74 0.00 0.00 36.82 37.28 1om4 h ILE 504 CO -0.04 0.30 0.35 0.00 0.00 0.00 0.00 178.15 178.76 1om4 h ILE 506 N 0.71 1.04 -0.86 0.00 2.04 -0.91 -0.80 117.51 118.75 1om4 h ILE 506 Ca 0.21 -0.09 0.06 0.00 1.00 0.00 0.00 64.86 66.05 1om4 h ILE 506 Cb -0.04 0.82 -0.06 0.00 -0.74 0.00 0.00 36.82 36.80 1om4 h ILE 506 CO -0.07 0.04 0.56 -0.61 0.00 0.00 0.00 178.15 178.08 1om4 h GLN 507 N 0.21 0.93 0.00 2.37 4.15 -0.70 0.47 115.11 122.54 1om4 h GLN 507 Ca 0.06 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1om4 h GLN 507 Cb -0.02 -0.21 0.00 0.00 0.21 0.00 0.00 27.48 27.46 1om4 h GLN 507 CO -0.01 0.62 0.00 1.04 -1.93 0.00 0.00 178.83 178.54 1om4 n GLN 508 N -4.48 0.65 0.00 1.69 1.13 -0.04 -4.84 117.38 111.49 1om4 n GLN 508 Ca 0.13 0.01 0.00 0.00 -1.94 0.00 0.00 57.00 55.20 1om4 n GLN 508 Cb 0.20 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.05 1om4 n GLN 508 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1om4 n GLY 509 N 0.41 0.87 3.74 1.08 0.00 0.15 -4.92 105.19 106.53 1om4 n GLY 509 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1om4 n GLY 509 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1om4 s TRP 510 N -2.00 3.18 -0.58 1.61 -0.00 -0.37 -4.96 118.94 115.82 1om4 s TRP 510 Ca 0.00 1.18 -0.18 0.00 -0.00 0.00 0.00 56.10 57.10 1om4 s TRP 510 Cb 0.00 -3.67 0.11 0.00 -0.00 0.00 0.00 33.47 29.92 1om4 s TRP 510 CO 0.00 -2.09 0.66 0.15 -0.00 0.00 0.00 176.95 175.66 1om4 s LYS 511 N -0.31 3.04 -0.00 5.86 -0.14 -1.26 -4.45 119.74 122.47 1om4 s LYS 511 Ca 0.57 -1.44 -0.30 0.00 -1.36 0.00 0.00 55.97 53.44 1om4 s LYS 511 Cb -0.38 -4.28 -0.04 0.00 -1.68 0.00 0.00 37.83 31.45 1om4 s LYS 511 CO 0.41 -1.49 1.16 0.00 -0.76 0.00 0.00 175.35 174.67 1om4 s ALA 512 N 2.38 3.40 -1.55 5.17 0.00 -1.26 -4.91 121.76 124.99 1om4 s ALA 512 Ca 0.09 0.69 0.24 0.00 0.00 0.00 0.00 51.96 52.99 1om4 s ALA 512 Cb -0.25 -3.46 1.27 0.00 0.00 0.00 0.00 23.12 20.67 1om4 s ALA 512 CO 0.05 -0.55 1.80 -0.35 0.00 0.00 0.00 175.76 176.72 1om4 n PRO 513 N 4.50 0.43 -4.00 0.00 -0.04 -1.26 -4.93 135.00 129.71 1om4 n PRO 513 Ca 0.09 0.05 -0.34 0.00 -0.04 0.00 0.00 63.50 63.26 1om4 n PRO 513 Cb 0.47 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.42 1om4 n PRO 513 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1om4 n ARG 514 N -1.22 -1.51 -2.89 0.54 1.74 -1.26 -5.00 116.66 107.07 1om4 n ARG 514 Ca 0.13 0.26 -0.15 0.00 -0.77 0.00 0.00 57.85 57.32 1om4 n ARG 514 Cb 0.17 -3.70 -0.01 0.00 -1.02 0.00 0.00 32.46 27.90 1om4 n ARG 514 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1om4 n GLY 515 N -2.07 3.03 0.06 -0.13 0.00 -1.26 -5.04 105.19 99.78 1om4 n GLY 515 Ca -0.21 -2.25 0.12 0.00 0.00 0.00 0.00 46.02 43.68 1om4 n GLY 515 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1om4 n ARG 516 N -1.13 0.26 -3.07 1.61 0.63 -1.26 -4.36 116.66 109.34 1om4 n ARG 516 Ca -0.03 0.09 -0.17 0.00 -0.92 0.00 0.00 57.85 56.82 1om4 n ARG 516 Cb 0.35 -1.68 -0.02 0.00 0.45 0.00 0.00 32.46 31.56 1om4 n ARG 516 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 1om4 n PHE 517 N -2.06 0.58 -3.12 -0.14 3.01 -1.26 -4.24 117.46 110.22 1om4 n PHE 517 Ca 0.04 -3.63 -0.40 0.00 1.01 0.00 0.00 57.45 54.46 1om4 n PHE 517 Cb 0.43 -0.41 -0.06 0.00 -0.01 0.00 0.00 39.48 39.42 1om4 n PHE 517 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1om4 s ASP 518 N -2.62 6.63 -0.03 4.37 1.01 -1.26 -4.94 116.67 119.83 1om4 s ASP 518 Ca 0.38 0.77 -0.30 0.00 0.71 0.00 0.00 52.55 54.11 1om4 s ASP 518 Cb 0.37 -2.34 -0.06 0.00 1.01 0.00 0.00 42.92 41.90 1om4 s ASP 518 CO -0.06 -0.32 1.57 -0.69 0.21 0.00 0.00 175.17 175.88 1om4 s VAL 519 N 2.19 3.58 0.72 -1.27 1.01 -1.26 -0.82 120.40 124.54 1om4 s VAL 519 Ca 0.27 0.82 -0.14 0.00 0.00 0.00 0.00 61.98 62.93 1om4 s VAL 519 Cb -0.16 -3.53 0.03 0.00 0.00 0.00 0.00 36.38 32.73 1om4 s VAL 519 CO 0.09 -0.05 1.15 -0.76 0.00 0.00 0.00 175.10 175.54 1om4 s LEU 520 N 3.40 3.29 0.58 3.92 1.43 0.18 -4.89 118.68 126.59 1om4 s LEU 520 Ca 0.70 2.15 -0.08 0.00 -1.03 0.00 0.00 54.13 55.87 1om4 s LEU 520 Cb -0.33 -4.57 -0.02 0.00 0.03 0.00 0.00 46.19 41.30 1om4 s LEU 520 CO 0.28 -2.04 0.92 -2.16 0.23 0.00 0.00 176.35 173.59 1om4 s PRO 521 N -4.12 3.34 0.10 1.29 0.04 -1.26 -4.75 135.00 129.63 1om4 s PRO 521 Ca 0.69 0.36 -0.25 0.00 0.04 0.00 0.00 61.00 61.85 1om4 s PRO 521 Cb -0.24 -2.22 -0.07 0.00 0.04 0.00 0.00 34.50 32.02 1om4 s PRO 521 CO 0.45 -0.53 0.77 -0.51 0.04 0.00 0.00 177.00 177.23 1om4 s LEU 522 N -5.01 4.52 -0.32 -3.56 1.43 0.19 -4.87 118.68 111.06 1om4 s LEU 522 Ca 0.52 1.54 0.01 0.00 -1.03 0.00 0.00 54.13 55.17 1om4 s LEU 522 Cb -0.11 -3.26 0.08 0.00 0.03 0.00 0.00 46.19 42.93 1om4 s LEU 522 CO 0.49 0.11 0.01 -0.22 0.23 0.00 0.00 176.35 176.97 1om4 s LEU 523 N -0.57 4.21 -0.11 1.79 2.96 -1.26 -0.69 118.68 125.01 1om4 s LEU 523 Ca 0.37 -1.68 0.01 0.00 -0.22 0.00 0.00 54.13 52.61 1om4 s LEU 523 Cb -0.22 -1.66 -0.02 0.00 0.50 0.00 0.00 46.19 44.80 1om4 s LEU 523 CO 0.24 -0.32 -0.13 -0.76 -1.32 0.00 0.00 176.35 174.07 1om4 s LEU 524 N 1.09 2.73 -0.21 -0.68 1.43 0.20 -1.39 118.68 121.86 1om4 s LEU 524 Ca 0.00 -0.29 -0.03 0.00 -1.03 0.00 0.00 54.13 52.78 1om4 s LEU 524 Cb -0.20 -1.60 -0.01 0.00 0.03 0.00 0.00 46.19 44.41 1om4 s LEU 524 CO -0.05 0.21 -0.05 -1.58 0.23 0.00 0.00 176.35 175.11 1om4 s GLN 525 N 0.08 3.38 -0.06 1.70 0.74 0.03 -0.68 119.66 124.85 1om4 s GLN 525 Ca -0.05 -0.63 0.05 0.00 0.05 0.00 0.00 55.36 54.78 1om4 s GLN 525 Cb -0.15 -2.96 -0.01 0.00 1.10 0.00 0.00 33.01 30.99 1om4 s GLN 525 CO 0.04 -0.14 -0.23 0.00 -0.55 0.00 0.00 175.29 174.41 1om4 s ALA 526 N 1.31 2.24 -1.41 1.58 0.00 -1.26 -0.66 121.76 123.56 1om4 s ALA 526 Ca 0.04 -1.03 -0.05 0.00 0.00 0.00 0.00 51.96 50.91 1om4 s ALA 526 Cb -0.14 -0.74 0.03 0.00 0.00 0.00 0.00 23.12 22.26 1om4 s ALA 526 CO -0.02 0.41 0.44 -1.71 0.00 0.00 0.00 175.76 174.88 1om4 n ASN 527 N 2.97 -4.93 0.00 0.00 4.05 -1.22 -1.77 115.26 114.36 1om4 n ASN 527 Ca -0.18 -0.24 0.00 0.00 0.45 0.00 0.00 54.58 54.61 1om4 n ASN 527 Cb 0.52 -4.04 0.00 0.00 1.23 0.00 0.00 39.78 37.49 1om4 n ASN 527 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1om4 n GLY 528 N -1.26 0.72 3.90 8.20 0.00 0.62 -4.52 105.19 112.85 1om4 n GLY 528 Ca -0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.64 1om4 n GLY 528 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1om4 s ASN 529 N -2.63 4.93 0.50 1.61 0.01 -0.73 -4.87 114.94 113.77 1om4 s ASN 529 Ca 0.00 0.90 -0.23 0.00 -0.71 0.00 0.00 52.86 52.83 1om4 s ASN 529 Cb 0.00 -1.54 -0.06 0.00 0.41 0.00 0.00 41.25 40.06 1om4 s ASN 529 CO 0.00 -1.64 1.34 -1.81 -1.51 0.00 0.00 177.10 173.49 1om4 s ASP 530 N -4.48 5.59 0.70 -1.22 1.01 -1.26 -4.36 116.67 112.65 1om4 s ASP 530 Ca 0.60 2.73 -0.14 0.00 0.71 0.00 0.00 52.55 56.45 1om4 s ASP 530 Cb -0.11 -2.64 0.02 0.00 1.01 0.00 0.00 42.92 41.21 1om4 s ASP 530 CO 0.50 -1.35 1.13 -2.16 0.21 0.00 0.00 175.17 173.50 1om4 s PRO 531 N -2.73 2.49 0.06 8.23 0.04 -1.26 -4.71 135.00 137.11 1om4 s PRO 531 Ca 0.67 1.46 0.06 0.00 0.04 0.00 0.00 61.00 63.23 1om4 s PRO 531 Cb -0.39 -1.91 -0.03 0.00 0.04 0.00 0.00 34.50 32.21 1om4 s PRO 531 CO 0.48 -1.51 -0.18 -1.21 0.04 0.00 0.00 177.00 174.63 1om4 s GLU 532 N -4.18 1.09 0.09 4.56 2.02 0.14 -4.86 118.70 117.56 1om4 s GLU 532 Ca 0.68 -0.94 -0.18 0.00 0.02 0.00 0.00 54.97 54.55 1om4 s GLU 532 Cb -0.22 -1.19 -0.07 0.00 0.10 0.00 0.00 34.13 32.75 1om4 s GLU 532 CO 0.45 0.29 0.57 -0.51 0.02 0.00 0.00 175.26 176.08 1om4 s LEU 533 N -1.43 4.49 -0.06 1.80 1.43 -1.26 -0.63 118.68 123.02 1om4 s LEU 533 Ca 0.04 1.23 -0.07 0.00 -1.03 0.00 0.00 54.13 54.30 1om4 s LEU 533 Cb -0.09 -2.99 0.02 0.00 0.03 0.00 0.00 46.19 43.16 1om4 s LEU 533 CO 0.02 0.24 0.19 -0.36 0.23 0.00 0.00 176.35 176.66 1om4 s PHE 534 N -1.19 -0.16 -0.20 0.29 0.40 0.13 -4.97 117.98 112.28 1om4 s PHE 534 Ca 0.31 0.38 -0.11 0.00 -0.60 0.00 0.00 56.93 56.92 1om4 s PHE 534 Cb -0.19 0.05 -0.05 0.00 0.51 0.00 0.00 43.02 43.35 1om4 s PHE 534 CO 0.19 -0.15 0.16 -1.14 0.70 0.00 0.00 175.22 174.99 1om4 s GLN 535 N -0.23 4.18 0.09 0.44 0.74 -1.26 0.53 119.66 124.16 1om4 s GLN 535 Ca -0.03 -0.17 -0.31 0.00 0.05 0.00 0.00 55.36 54.90 1om4 s GLN 535 Cb -0.03 -3.44 -0.07 0.00 1.10 0.00 0.00 33.01 30.58 1om4 s GLN 535 CO 0.01 0.25 1.25 0.42 -0.55 0.00 0.00 175.29 176.67 1om4 s ILE 536 N 0.50 3.76 -0.20 -2.34 1.01 -1.26 -4.91 121.20 117.76 1om4 s ILE 536 Ca 0.09 1.29 -0.37 0.00 0.00 0.00 0.00 60.65 61.67 1om4 s ILE 536 Cb -0.12 -3.83 -0.13 0.00 0.01 0.00 0.00 42.46 38.39 1om4 s ILE 536 CO 0.00 0.12 1.87 -2.65 0.00 0.00 0.00 174.94 174.27 1om4 n PRO 537 N 3.73 1.62 -0.34 2.79 -0.02 -1.26 -4.81 135.00 136.71 1om4 n PRO 537 Ca 0.09 0.58 0.22 0.00 -2.02 0.00 0.00 63.50 62.37 1om4 n PRO 537 Cb 0.45 -2.40 0.46 0.00 -0.02 0.00 0.00 33.50 31.99 1om4 n PRO 537 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1om4 h PRO 538 N 8.80 0.43 0.00 0.52 0.11 -1.95 0.37 132.00 140.28 1om4 h PRO 538 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1om4 h PRO 538 Cb 1.30 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1om4 h PRO 538 CO 0.96 0.28 0.00 -0.85 -0.21 0.00 0.00 178.00 178.19 1om4 n GLU 539 N -4.79 0.11 0.00 1.05 0.00 -1.26 -1.33 120.64 114.42 1om4 n GLU 539 Ca 0.28 0.51 0.11 0.00 0.00 0.00 0.00 57.16 58.05 1om4 n GLU 539 Cb 0.87 -1.80 0.01 0.00 0.00 0.00 0.00 31.44 30.52 1om4 n GLU 539 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1om4 n LEU 540 N -2.03 0.77 -4.38 -1.84 4.32 0.13 -4.80 117.00 109.17 1om4 n LEU 540 Ca 0.00 -0.28 -0.45 0.00 -0.02 0.00 0.00 56.01 55.27 1om4 n LEU 540 Cb 0.10 -0.09 -0.06 0.00 -1.62 0.00 0.00 43.42 41.75 1om4 n LEU 540 CO 0.11 0.18 0.17 -0.69 -1.22 0.00 0.00 177.39 175.95 1om4 s VAL 541 N -3.04 5.10 -0.04 4.08 1.01 -0.44 -4.76 120.40 122.31 1om4 s VAL 541 Ca 0.08 -1.07 -0.27 0.00 0.00 0.00 0.00 61.98 60.73 1om4 s VAL 541 Cb 0.16 -4.27 -0.03 0.00 0.00 0.00 0.00 36.38 32.24 1om4 s VAL 541 CO 0.81 -0.78 0.84 -0.22 0.00 0.00 0.00 175.10 175.75 1om4 s LEU 542 N 1.97 4.34 0.13 3.92 2.96 -1.26 -5.01 118.68 125.73 1om4 s LEU 542 Ca 0.07 1.42 0.05 0.00 -0.22 0.00 0.00 54.13 55.45 1om4 s LEU 542 Cb -0.25 -3.32 -0.04 0.00 0.50 0.00 0.00 46.19 43.08 1om4 s LEU 542 CO 0.07 -0.19 -0.12 -1.61 -1.32 0.00 0.00 176.35 173.17 1om4 s GLU 543 N 0.93 1.02 -0.14 1.98 2.02 -1.26 -1.26 118.70 121.98 1om4 s GLU 543 Ca 0.44 -1.30 0.00 0.00 0.02 0.00 0.00 54.97 54.14 1om4 s GLU 543 Cb -0.19 -0.78 0.02 0.00 0.10 0.00 0.00 34.13 33.28 1om4 s GLU 543 CO 0.23 0.13 -0.13 0.08 0.02 0.00 0.00 175.26 175.59 1om4 s VAL 544 N -2.53 1.46 0.22 2.63 1.01 0.73 -4.90 120.40 119.03 1om4 s VAL 544 Ca 0.11 -0.57 -0.30 0.00 0.00 0.00 0.00 61.98 61.22 1om4 s VAL 544 Cb -0.03 -1.39 -0.09 0.00 0.00 0.00 0.00 36.38 34.88 1om4 s VAL 544 CO 0.02 0.44 1.22 -2.84 0.00 0.00 0.00 175.10 173.94 1om4 s PRO 545 N 1.53 4.48 -0.21 2.72 0.02 -1.26 -1.79 135.00 140.48 1om4 s PRO 545 Ca 0.05 1.95 -0.15 0.00 0.02 0.00 0.00 61.00 62.87 1om4 s PRO 545 Cb -0.13 -3.20 -0.04 0.00 0.02 0.00 0.00 34.50 31.15 1om4 s PRO 545 CO -0.10 -0.09 0.36 0.42 -0.33 0.00 0.00 177.00 177.26 1om4 s ILE 546 N -0.35 5.22 0.18 2.83 -1.09 0.45 -4.86 121.20 123.57 1om4 s ILE 546 Ca 0.52 0.62 0.01 0.00 -2.23 0.00 0.00 60.65 59.56 1om4 s ILE 546 Cb -0.34 -3.69 -0.04 0.00 -1.58 0.00 0.00 42.46 36.80 1om4 s ILE 546 CO 0.40 0.26 0.05 0.00 -1.23 0.00 0.00 174.94 174.41 1om4 s ARG 547 N 1.34 1.11 -0.01 2.79 3.03 -1.26 -4.11 118.95 121.84 1om4 s ARG 547 Ca 0.17 -1.55 0.03 0.00 2.03 0.00 0.00 55.73 56.40 1om4 s ARG 547 Cb -0.15 -0.06 -0.03 0.00 -1.03 0.00 0.00 34.95 33.68 1om4 s ARG 547 CO 0.08 -0.22 -0.07 -1.58 -1.13 0.00 0.00 175.30 172.37 1om4 s HIS 548 N -3.84 2.88 0.40 5.89 2.46 -1.25 -4.43 115.29 117.40 1om4 s HIS 548 Ca 0.28 -0.04 0.31 0.00 0.47 0.00 0.00 55.06 56.08 1om4 s HIS 548 Cb 0.07 -1.63 1.58 0.00 -0.13 0.00 0.00 32.58 32.47 1om4 s HIS 548 CO 0.06 0.35 2.10 -1.00 -2.47 0.00 0.00 174.74 173.78 1om4 h PRO 549 N 4.71 0.00 0.00 2.88 0.13 -1.92 -3.32 132.00 134.48 1om4 h PRO 549 Ca -0.48 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.62 1om4 h PRO 549 Cb 1.17 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 1om4 h PRO 549 CO 0.53 0.08 -1.10 1.63 -0.23 0.00 0.00 178.00 178.91 1om4 n LYS 550 N -3.47 3.63 -3.28 0.86 5.02 -1.26 -4.95 118.16 114.71 1om4 n LYS 550 Ca -0.02 -0.00 -0.44 0.00 -2.02 0.00 0.00 58.31 55.83 1om4 n LYS 550 Cb 0.23 -1.04 -0.07 0.00 -0.02 0.00 0.00 35.03 34.12 1om4 n LYS 550 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1om4 s PHE 551 N -2.04 3.15 -0.17 2.13 0.08 -1.25 -4.92 117.98 114.96 1om4 s PHE 551 Ca -0.01 -0.65 0.29 0.00 0.12 0.00 0.00 56.93 56.69 1om4 s PHE 551 Cb 0.00 -3.26 1.16 0.00 -0.57 0.00 0.00 43.02 40.35 1om4 s PHE 551 CO 0.06 -0.88 1.86 0.22 -0.10 0.00 0.00 175.22 176.39 1om4 h ASP 552 N 8.85 0.00 1.26 1.36 3.58 -1.93 -2.68 116.42 126.85 1om4 h ASP 552 Ca -0.28 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.17 1om4 h ASP 552 Cb 1.10 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.15 1om4 h ASP 552 CO 0.90 0.00 -0.12 -2.67 -2.88 0.00 0.00 179.24 174.47 1om4 n TRP 553 N -2.74 0.67 -0.24 0.28 4.27 -1.26 -3.88 117.44 114.53 1om4 n TRP 553 Ca 0.01 0.19 -0.04 0.00 -3.89 0.00 0.00 57.50 53.78 1om4 n TRP 553 Cb 0.29 -0.79 0.06 0.00 -1.36 0.00 0.00 31.31 29.51 1om4 n TRP 553 CO 0.00 0.00 0.00 0.35 -2.29 0.00 0.00 177.69 175.75 1om4 h PHE 554 N 0.00 0.82 -0.31 -2.67 3.04 -1.85 -1.57 116.94 114.41 1om4 h PHE 554 Ca 0.00 0.02 0.06 0.00 3.98 0.00 0.00 57.97 62.03 1om4 h PHE 554 Cb 0.69 -0.27 -0.02 0.00 2.56 0.00 0.00 35.95 38.91 1om4 h PHE 554 CO 0.00 0.49 0.21 1.57 -2.02 0.00 0.00 178.31 178.57 1om4 h LYS 555 N 0.87 0.13 0.00 1.11 2.10 -1.71 -0.75 116.57 118.32 1om4 h LYS 555 Ca 0.26 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.90 1om4 h LYS 555 Cb -0.04 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 31.26 1om4 h LYS 555 CO -0.08 0.09 0.00 -0.25 -2.00 0.00 0.00 179.45 177.20 1om4 n ASP 556 N -4.47 0.00 0.01 7.07 8.00 -0.59 -2.04 116.55 124.52 1om4 n ASP 556 Ca 0.04 -0.42 0.11 0.00 0.71 0.00 0.00 54.79 55.23 1om4 n ASP 556 Cb 0.29 -0.08 0.48 0.00 -0.02 0.00 0.00 41.12 41.79 1om4 n ASP 556 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1om4 n LEU 557 N -1.08 0.06 -1.16 0.64 4.77 -0.29 -4.89 117.00 115.05 1om4 n LEU 557 Ca 0.13 0.51 -0.12 0.00 -0.03 0.00 0.00 56.01 56.50 1om4 n LEU 557 Cb 0.09 -0.49 -0.03 0.00 -2.33 0.00 0.00 43.42 40.66 1om4 n LEU 557 CO 0.12 -0.13 -0.14 0.61 -1.33 0.00 0.00 177.39 176.52 1om4 n GLY 558 N 0.82 0.51 3.88 -0.72 0.00 -0.87 -5.01 105.19 103.80 1om4 n GLY 558 Ca 0.05 -0.43 -0.32 0.00 0.00 0.00 0.00 46.02 45.33 1om4 n GLY 558 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1om4 s LEU 559 N -3.11 4.20 0.22 0.99 1.43 -1.26 -5.02 118.68 116.13 1om4 s LEU 559 Ca 0.00 0.84 -0.23 0.00 -1.03 0.00 0.00 54.13 53.71 1om4 s LEU 559 Cb 0.00 -3.56 0.04 0.00 0.03 0.00 0.00 46.19 42.70 1om4 s LEU 559 CO 0.00 -0.03 0.84 -1.59 0.23 0.00 0.00 176.35 175.80 1om4 s LYS 560 N -2.73 1.50 0.16 1.70 -2.85 -1.26 -0.42 119.74 115.84 1om4 s LYS 560 Ca 0.45 -0.83 -0.17 0.00 -1.00 0.00 0.00 55.97 54.43 1om4 s LYS 560 Cb -0.12 0.51 0.03 0.00 -2.06 0.00 0.00 37.83 36.20 1om4 s LYS 560 CO 0.22 -0.69 0.46 -0.46 0.10 0.00 0.00 175.35 174.98 1om4 s TRP 561 N -3.61 -0.15 0.35 1.78 -0.11 -0.74 -4.90 118.94 111.56 1om4 s TRP 561 Ca 0.12 -0.17 -0.15 0.00 1.22 0.00 0.00 56.10 57.11 1om4 s TRP 561 Cb -0.04 0.31 -0.09 0.00 -1.50 0.00 0.00 33.47 32.15 1om4 s TRP 561 CO 0.05 -0.80 0.77 1.52 -4.62 0.00 0.00 176.95 173.87 1om4 s TYR 562 N -3.84 3.37 -0.41 5.86 -0.85 -1.26 -0.19 117.35 120.03 1om4 s TYR 562 Ca 0.06 1.26 0.23 0.00 -0.52 0.00 0.00 57.07 58.10 1om4 s TYR 562 Cb 0.01 -2.57 0.26 0.00 0.38 0.00 0.00 41.96 40.04 1om4 s TYR 562 CO -0.08 0.04 1.42 0.78 -1.52 0.00 0.00 175.55 176.20 1om4 h GLY 563 N 2.10 0.00 -7.57 5.49 0.00 -1.53 -3.45 103.07 98.11 1om4 h GLY 563 Ca -0.48 0.00 -0.71 0.00 0.00 0.00 0.00 47.33 46.14 1om4 h GLY 563 CO 0.65 0.00 -0.53 -2.27 0.00 0.00 0.00 176.54 174.39 1om4 s LEU 564 N -5.71 4.75 -0.39 3.11 2.96 -1.26 -4.55 118.68 117.59 1om4 s LEU 564 Ca 0.05 -1.22 -0.24 0.00 -0.22 0.00 0.00 54.13 52.49 1om4 s LEU 564 Cb 0.07 -1.96 0.02 0.00 0.50 0.00 0.00 46.19 44.82 1om4 s LEU 564 CO 0.71 -0.42 0.85 -2.16 -1.32 0.00 0.00 176.35 174.01 1om4 s PRO 565 N 1.46 3.71 -0.49 0.98 0.04 -1.26 -4.70 135.00 134.74 1om4 s PRO 565 Ca 0.01 0.33 0.03 0.00 0.04 0.00 0.00 61.00 61.41 1om4 s PRO 565 Cb -0.21 -3.84 0.15 0.00 0.04 0.00 0.00 34.50 30.65 1om4 s PRO 565 CO 0.04 -0.97 0.33 0.00 0.04 0.00 0.00 177.00 176.44 1om4 s ALA 566 N 3.35 2.30 0.11 8.56 0.00 -1.26 -3.37 121.76 131.45 1om4 s ALA 566 Ca 0.34 -2.83 -0.32 0.00 0.00 0.00 0.00 51.96 49.15 1om4 s ALA 566 Cb -0.12 -1.86 -0.12 0.00 0.00 0.00 0.00 23.12 21.02 1om4 s ALA 566 CO 0.20 -2.05 1.78 0.28 0.00 0.00 0.00 175.76 175.97 1om4 n VAL 567 N 2.99 0.29 -0.34 0.00 0.31 -0.92 -1.03 118.33 119.64 1om4 n VAL 567 Ca 0.17 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.45 1om4 n VAL 567 Cb 0.38 -1.97 0.00 0.00 -0.91 0.00 0.00 33.84 31.34 1om4 n VAL 567 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1om4 n SER 568 N 5.19 1.27 -0.59 4.52 3.41 -0.07 -1.87 113.62 125.48 1om4 n SER 568 Ca 0.18 -1.61 0.05 0.00 -0.26 0.00 0.00 58.87 57.24 1om4 n SER 568 Cb 0.34 0.00 0.15 0.00 -0.26 0.00 0.00 64.21 64.44 1om4 n SER 568 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1om4 n ASN 569 N -0.30 2.94 -4.97 4.04 0.23 -1.22 -4.43 115.26 111.55 1om4 n ASN 569 Ca 0.00 -2.16 -0.21 0.00 -0.53 0.00 0.00 54.58 51.68 1om4 n ASN 569 Cb 0.31 -0.25 0.01 0.00 -2.08 0.00 0.00 39.78 37.78 1om4 n ASN 569 CO 0.00 0.00 0.00 -0.04 -0.93 0.00 0.00 177.26 176.29 1om4 s MET 570 N -1.28 2.91 -0.11 -3.83 -1.94 -1.26 -4.34 119.30 109.44 1om4 s MET 570 Ca 0.23 -0.77 -0.01 0.00 -1.71 0.00 0.00 55.69 53.43 1om4 s MET 570 Cb 0.14 -2.62 -0.02 0.00 2.01 0.00 0.00 34.83 34.33 1om4 s MET 570 CO 0.13 -0.31 -0.08 -1.17 -0.01 0.00 0.00 175.02 173.58 1om4 s LEU 571 N -4.50 3.06 -0.32 -0.03 0.20 0.94 -4.35 118.68 113.67 1om4 s LEU 571 Ca 0.51 -0.15 -0.12 0.00 0.69 0.00 0.00 54.13 55.07 1om4 s LEU 571 Cb -0.10 -1.70 -0.02 0.00 -0.43 0.00 0.00 46.19 43.95 1om4 s LEU 571 CO 0.36 0.24 0.20 -0.22 -0.29 0.00 0.00 176.35 176.64 1om4 s LEU 572 N -0.08 4.32 -0.25 -0.68 2.96 -0.39 0.15 118.68 124.71 1om4 s LEU 572 Ca 0.00 -0.41 -0.08 0.00 -0.22 0.00 0.00 54.13 53.42 1om4 s LEU 572 Cb -0.13 -2.09 -0.04 0.00 0.50 0.00 0.00 46.19 44.43 1om4 s LEU 572 CO 0.03 -0.20 0.10 -0.70 -1.32 0.00 0.00 176.35 174.26 1om4 s GLU 573 N 1.69 3.77 -0.10 1.98 2.12 0.16 -0.69 118.70 127.62 1om4 s GLU 573 Ca 0.06 -0.42 -0.00 0.00 0.36 0.00 0.00 54.97 54.96 1om4 s GLU 573 Cb -0.17 -3.40 0.02 0.00 0.26 0.00 0.00 34.13 30.85 1om4 s GLU 573 CO 0.09 -0.13 -0.07 0.42 -0.54 0.00 0.00 175.26 175.04 1om4 s ILE 574 N 1.49 0.93 -1.55 -3.70 1.01 -0.57 -1.83 121.20 116.97 1om4 s ILE 574 Ca 0.06 -0.23 -0.15 0.00 0.00 0.00 0.00 60.65 60.33 1om4 s ILE 574 Cb -0.15 -0.96 0.12 0.00 0.01 0.00 0.00 42.46 41.48 1om4 s ILE 574 CO 0.05 0.35 0.77 0.61 0.00 0.00 0.00 174.94 176.72 1om4 n GLY 575 N 4.93 -0.47 2.23 6.18 0.00 -1.26 -0.39 105.19 116.41 1om4 n GLY 575 Ca -0.12 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1om4 n GLY 575 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1om4 n GLY 576 N -1.41 3.19 3.80 -0.02 0.00 -1.26 -3.68 105.19 105.81 1om4 n GLY 576 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 1om4 n GLY 576 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1om4 s LEU 577 N 0.00 4.06 -0.24 0.99 1.43 0.48 -4.96 118.68 120.43 1om4 s LEU 577 Ca 0.00 1.87 -0.01 0.00 -1.03 0.00 0.00 54.13 54.97 1om4 s LEU 577 Cb 0.00 -4.33 0.03 0.00 0.03 0.00 0.00 46.19 41.92 1om4 s LEU 577 CO 0.00 -0.42 -0.08 -1.61 0.23 0.00 0.00 176.35 174.47 1om4 s GLU 578 N -2.75 2.76 -0.61 1.70 2.02 -1.26 -1.52 118.70 119.04 1om4 s GLU 578 Ca 0.59 -1.02 -0.12 0.00 0.02 0.00 0.00 54.97 54.45 1om4 s GLU 578 Cb -0.16 -2.94 0.16 0.00 0.10 0.00 0.00 34.13 31.28 1om4 s GLU 578 CO 0.21 -0.41 0.52 -0.06 0.02 0.00 0.00 175.26 175.54 1om4 s PHE 579 N 1.29 3.47 -0.74 1.61 0.40 0.13 -0.16 117.98 123.98 1om4 s PHE 579 Ca -0.01 -1.84 0.21 0.00 -0.60 0.00 0.00 56.93 54.69 1om4 s PHE 579 Cb -0.17 -3.64 0.86 0.00 0.51 0.00 0.00 43.02 40.58 1om4 s PHE 579 CO -0.05 -0.98 1.65 -1.13 0.70 0.00 0.00 175.22 175.41 1om4 n SER 580 N 4.58 0.39 -3.81 1.36 3.41 -1.26 -1.26 113.62 117.03 1om4 n SER 580 Ca -0.02 0.58 -0.29 0.00 -0.26 0.00 0.00 58.87 58.88 1om4 n SER 580 Cb 0.42 -0.67 -0.15 0.00 -0.26 0.00 0.00 64.21 63.54 1om4 n SER 580 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1om4 s ALA 581 N -3.15 1.61 -0.41 7.33 0.00 -1.22 -4.63 121.76 121.29 1om4 s ALA 581 Ca 0.07 -1.43 0.09 0.00 0.00 0.00 0.00 51.96 50.69 1om4 s ALA 581 Cb 0.11 -1.50 0.34 0.00 0.00 0.00 0.00 23.12 22.07 1om4 s ALA 581 CO 0.38 -1.44 0.93 0.00 0.00 0.00 0.00 175.76 175.64 1om4 n PRO 583 N 0.29 2.15 -4.15 0.00 -0.04 -1.19 -4.69 135.00 127.38 1om4 n PRO 583 Ca 0.15 0.77 -0.16 0.00 -0.04 0.00 0.00 63.50 64.22 1om4 n PRO 583 Cb 0.69 -2.49 -0.12 0.00 -0.04 0.00 0.00 33.50 31.54 1om4 n PRO 583 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1om4 s PHE 584 N 0.37 1.05 0.03 0.54 -0.12 -0.78 -1.37 117.98 117.69 1om4 s PHE 584 Ca 0.72 -0.52 -0.06 0.00 -0.05 0.00 0.00 56.93 57.03 1om4 s PHE 584 Cb -0.65 -0.59 -0.01 0.00 -0.63 0.00 0.00 43.02 41.15 1om4 s PHE 584 CO 0.44 0.01 0.10 -1.54 -0.05 0.00 0.00 175.22 174.19 1om4 s SER 585 N -1.89 0.13 0.00 1.98 1.04 0.27 -2.17 113.70 113.06 1om4 s SER 585 Ca -0.02 -0.42 0.00 0.00 0.48 0.00 0.00 55.95 55.99 1om4 s SER 585 Cb -0.08 0.21 0.00 0.00 0.10 0.00 0.00 66.02 66.25 1om4 s SER 585 CO 0.01 -0.45 0.00 0.61 0.98 0.00 0.00 173.24 174.39 1om4 n GLY 586 N 1.04 3.57 3.29 7.32 0.00 -1.22 -1.38 105.19 117.81 1om4 n GLY 586 Ca -0.21 -0.44 -0.10 0.00 0.00 0.00 0.00 46.02 45.27 1om4 n GLY 586 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1om4 s TRP 587 N 2.64 -0.13 0.47 1.61 -2.14 -1.26 -4.65 118.94 115.48 1om4 s TRP 587 Ca 0.00 -0.17 -0.21 0.00 2.66 0.00 0.00 56.10 58.38 1om4 s TRP 587 Cb 0.00 0.18 -0.09 0.00 -3.10 0.00 0.00 33.47 30.46 1om4 s TRP 587 CO 0.00 -0.64 1.04 0.71 -2.66 0.00 0.00 176.95 175.40 1om4 s TYR 588 N -3.59 3.04 -0.15 1.66 1.51 -1.26 -4.93 117.35 113.62 1om4 s TYR 588 Ca 0.02 1.59 -0.07 0.00 -1.01 0.00 0.00 57.07 57.60 1om4 s TYR 588 Cb 0.02 -3.08 -0.04 0.00 -0.11 0.00 0.00 41.96 38.74 1om4 s TYR 588 CO -0.10 -0.81 0.09 1.41 -1.11 0.00 0.00 175.55 175.03 1om4 s MET 589 N -3.09 3.73 0.27 -0.62 -2.45 -1.26 -1.48 119.30 114.40 1om4 s MET 589 Ca 0.66 -0.26 -0.06 0.00 -1.25 0.00 0.00 55.69 54.78 1om4 s MET 589 Cb -0.18 -3.20 0.51 0.00 1.25 0.00 0.00 34.83 33.21 1om4 s MET 589 CO 0.22 0.49 1.59 0.78 1.05 0.00 0.00 175.02 179.14 1om4 h GLY 590 N 5.98 0.87 1.81 2.11 0.00 -0.89 -2.00 103.07 110.94 1om4 h GLY 590 Ca -0.45 0.21 0.02 0.00 0.00 0.00 0.00 47.33 47.11 1om4 h GLY 590 CO 0.66 -0.37 0.08 -0.91 0.00 0.00 0.00 176.54 175.99 1om4 h THR 591 N 0.03 0.48 -0.98 4.70 1.35 -1.94 -1.05 112.91 115.49 1om4 h THR 591 Ca 0.47 0.00 0.03 0.00 -0.55 0.00 0.00 66.41 66.36 1om4 h THR 591 Cb 0.83 0.94 -0.06 0.00 -1.73 0.00 0.00 68.15 68.14 1om4 h THR 591 CO -0.85 0.00 0.64 -0.33 -0.25 0.00 0.00 175.52 174.73 1om4 h GLU 592 N 0.00 1.23 0.00 4.72 5.08 -1.77 -0.32 114.58 123.51 1om4 h GLU 592 Ca 0.03 -0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 58.25 1om4 h GLU 592 Cb 0.18 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 1om4 h GLU 592 CO -0.00 0.81 -0.62 0.82 -1.00 0.00 0.00 179.01 179.02 1om4 h ILE 593 N 1.26 0.36 -0.23 3.13 2.04 -1.53 -1.81 117.51 120.73 1om4 h ILE 593 Ca 0.38 -1.41 -0.04 0.00 1.00 0.00 0.00 64.86 64.80 1om4 h ILE 593 Cb -0.04 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 1om4 h ILE 593 CO -0.11 0.12 -0.02 1.23 0.00 0.00 0.00 178.15 179.37 1om4 h GLY 594 N -1.00 0.37 0.00 5.37 0.00 -1.29 -0.60 103.07 105.92 1om4 h GLY 594 Ca -0.10 -0.20 -0.07 0.00 0.00 0.00 0.00 47.33 46.96 1om4 h GLY 594 CO -0.06 0.19 -1.18 -0.62 0.00 0.00 0.00 176.54 174.87 1om4 n VAL 595 N -4.33 1.50 0.06 4.60 0.31 -0.19 -4.20 118.33 116.08 1om4 n VAL 595 Ca 0.00 0.07 -0.04 0.00 -0.01 0.00 0.00 64.34 64.36 1om4 n VAL 595 Cb 0.21 -2.28 -0.02 0.00 -0.91 0.00 0.00 33.84 30.85 1om4 n VAL 595 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 1om4 h ARG 596 N -1.00 -0.24 -0.68 5.55 2.47 -1.45 -1.84 114.38 117.19 1om4 h ARG 596 Ca -0.11 0.02 -0.02 0.00 -1.26 0.00 0.00 59.98 58.61 1om4 h ARG 596 Cb 1.04 0.05 -0.03 0.00 -1.65 0.00 0.00 29.97 29.38 1om4 h ARG 596 CO -0.07 -0.16 0.35 -0.44 0.56 0.00 0.00 179.97 180.22 1om4 h ASP 597 N -1.06 0.85 0.31 7.04 3.32 -1.24 -1.93 116.42 123.71 1om4 h ASP 597 Ca -0.03 -0.08 -0.33 0.00 0.02 0.00 0.00 57.03 56.62 1om4 h ASP 597 Cb 0.19 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.49 1om4 h ASP 597 CO 0.04 0.70 -1.87 -1.22 -1.72 0.00 0.00 179.24 175.18 1om4 n TYR 598 N -4.36 1.08 0.63 4.55 0.53 -0.24 -1.96 117.16 117.39 1om4 n TYR 598 Ca 0.07 0.31 0.07 0.00 -1.02 0.00 0.00 57.90 57.32 1om4 n TYR 598 Cb 0.11 -1.17 -0.03 0.00 -1.03 0.00 0.00 39.34 37.22 1om4 n TYR 598 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 1om4 s ASP 600 N -1.94 6.12 0.46 0.00 -0.00 -0.73 -4.65 116.67 115.93 1om4 s ASP 600 Ca 0.09 2.82 0.14 0.00 -0.00 0.00 0.00 52.55 55.61 1om4 s ASP 600 Cb 0.11 -2.65 1.05 0.00 -0.00 0.00 0.00 42.92 41.43 1om4 s ASP 600 CO 0.43 -1.00 2.03 0.78 -0.00 0.00 0.00 175.17 177.41 1om4 h ASN 601 N 2.56 0.03 -0.36 0.27 -0.26 -1.93 -2.03 115.58 113.87 1om4 h ASN 601 Ca -0.50 -0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.23 1om4 h ASN 601 Cb 1.25 -0.01 0.00 0.00 -1.06 0.00 0.00 38.32 38.51 1om4 h ASN 601 CO 0.62 0.16 0.00 -1.20 -1.06 0.00 0.00 177.43 175.95 1om4 n SER 602 N -4.38 2.15 0.00 5.81 7.64 -1.26 -4.61 113.62 118.97 1om4 n SER 602 Ca -0.02 -1.94 0.00 0.00 1.01 0.00 0.00 58.87 57.92 1om4 n SER 602 Cb 0.20 -0.24 0.00 0.00 -1.01 0.00 0.00 64.21 63.16 1om4 n SER 602 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1om4 n ARG 603 N 0.66 0.96 0.23 1.43 5.12 -0.79 -4.26 116.66 120.01 1om4 n ARG 603 Ca 0.15 0.00 0.16 0.00 -1.93 0.00 0.00 57.85 56.22 1om4 n ARG 603 Cb 0.35 0.00 0.66 0.00 -1.16 0.00 0.00 32.46 32.31 1om4 n ARG 603 CO 0.00 0.00 0.00 1.88 -1.93 0.00 0.00 177.63 177.58 1om4 h TYR 604 N 0.00 0.00 -6.70 -1.55 -1.99 -1.55 -3.42 116.97 101.76 1om4 h TYR 604 Ca 0.00 0.00 -0.51 0.00 2.00 0.00 0.00 58.73 60.22 1om4 h TYR 604 Cb 0.00 0.00 0.01 0.00 2.00 0.00 0.00 36.73 38.74 1om4 h TYR 604 CO 0.00 0.00 -0.98 -1.71 -0.00 0.00 0.00 178.16 175.47 1om4 n ASN 605 N -2.78 -4.71 -0.93 3.88 4.05 -0.70 -4.89 115.26 109.17 1om4 n ASN 605 Ca 0.01 -1.11 0.12 0.00 0.45 0.00 0.00 54.58 54.05 1om4 n ASN 605 Cb 0.25 -2.12 0.17 0.00 1.23 0.00 0.00 39.78 39.32 1om4 n ASN 605 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 177.26 176.51 1om4 n ILE 606 N -4.09 0.09 -0.22 -1.44 -5.35 -0.17 -4.62 119.36 103.55 1om4 n ILE 606 Ca -0.16 -0.51 0.03 0.00 -0.27 0.00 0.00 62.75 61.84 1om4 n ILE 606 Cb 0.60 1.28 0.13 0.00 -1.74 0.00 0.00 39.64 39.91 1om4 n ILE 606 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 1om4 h LEU 607 N 4.35 -0.12 0.39 7.28 3.38 -1.88 -2.17 115.31 126.55 1om4 h LEU 607 Ca 0.00 0.14 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 1om4 h LEU 607 Cb 0.93 0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.91 1om4 h LEU 607 CO 0.00 -0.06 -0.19 -0.33 0.09 0.00 0.00 178.44 177.95 1om4 h GLU 608 N 0.20 -0.51 -0.92 1.13 5.08 -1.99 -0.01 114.58 117.56 1om4 h GLU 608 Ca 0.36 0.03 0.14 0.00 -1.00 0.00 0.00 59.36 58.89 1om4 h GLU 608 Cb 0.59 0.11 -0.08 0.00 0.50 0.00 0.00 28.75 29.88 1om4 h GLU 608 CO -0.50 -0.26 0.59 1.49 -1.00 0.00 0.00 179.01 179.33 1om4 h GLU 609 N -0.67 0.76 -0.17 2.33 4.81 -1.84 0.14 114.58 119.94 1om4 h GLU 609 Ca -0.05 -0.05 -0.14 0.00 -0.13 0.00 0.00 59.36 58.99 1om4 h GLU 609 Cb 0.48 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.70 1om4 h GLU 609 CO 0.09 0.50 -0.43 0.28 -0.73 0.00 0.00 179.01 178.72 1om4 h VAL 610 N 0.78 1.34 -0.70 0.32 2.07 -1.30 -2.99 116.25 115.77 1om4 h VAL 610 Ca 0.46 -1.69 -0.02 0.00 0.82 0.00 0.00 66.70 66.28 1om4 h VAL 610 Cb 0.65 1.97 -0.03 0.00 -1.52 0.00 0.00 31.29 32.36 1om4 h VAL 610 CO -0.23 0.52 0.34 0.00 0.02 0.00 0.00 177.57 178.23 1om4 h ALA 611 N 0.56 1.28 -0.08 1.67 0.00 0.28 -2.26 119.26 120.72 1om4 h ALA 611 Ca -0.01 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1om4 h ALA 611 Cb 1.04 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 1om4 h ALA 611 CO 0.09 0.56 0.03 0.87 0.00 0.00 0.00 179.25 180.81 1om4 h LYS 612 N 0.99 0.11 -0.69 0.00 1.57 -0.78 -1.09 116.57 116.69 1om4 h LYS 612 Ca 0.24 -0.02 0.05 0.00 -1.87 0.00 0.00 60.65 59.06 1om4 h LYS 612 Cb 0.09 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.34 1om4 h LYS 612 CO -0.03 0.20 0.45 0.87 -0.57 0.00 0.00 179.45 180.38 1om4 h LYS 613 N -0.01 0.75 0.00 3.15 1.79 -1.35 0.29 116.57 121.18 1om4 h LYS 613 Ca 0.03 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 1om4 h LYS 613 Cb 0.13 -0.17 0.00 0.00 -1.58 0.00 0.00 32.23 30.61 1om4 h LYS 613 CO -0.00 0.49 0.00 -1.33 -1.08 0.00 0.00 179.45 177.53 1om4 n MET 614 N -4.47 0.03 -3.38 3.15 2.81 -0.87 -4.95 117.12 109.44 1om4 n MET 614 Ca 0.09 0.01 -0.13 0.00 -1.81 0.00 0.00 57.70 55.86 1om4 n MET 614 Cb 0.18 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.19 1om4 n MET 614 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1om4 n ASP 615 N -1.49 -6.46 -4.92 7.83 -0.08 0.10 -5.00 116.55 106.53 1om4 n ASP 615 Ca 0.07 -0.41 -0.21 0.00 -1.51 0.00 0.00 54.79 52.74 1om4 n ASP 615 Cb 0.33 -3.61 -0.02 0.00 2.34 0.00 0.00 41.12 40.16 1om4 n ASP 615 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 1om4 s LEU 616 N -4.22 3.95 -0.95 -2.67 1.43 -1.01 -5.02 118.68 110.19 1om4 s LEU 616 Ca 0.04 -0.20 -0.24 0.00 -1.03 0.00 0.00 54.13 52.70 1om4 s LEU 616 Cb -0.01 -2.57 0.02 0.00 0.03 0.00 0.00 46.19 43.67 1om4 s LEU 616 CO 0.82 -0.22 1.57 -0.62 0.23 0.00 0.00 176.35 178.13 1om4 s ASP 617 N -4.00 6.10 -0.01 2.29 3.68 -1.26 -4.77 116.67 118.69 1om4 s ASP 617 Ca 0.38 -1.10 0.07 0.00 2.13 0.00 0.00 52.55 54.04 1om4 s ASP 617 Cb -0.08 -2.57 0.22 0.00 -1.45 0.00 0.00 42.92 39.04 1om4 s ASP 617 CO 0.28 -1.87 1.16 0.23 0.13 0.00 0.00 175.17 175.10 1om4 n MET 618 N 8.94 1.62 0.00 4.34 2.81 -1.26 -4.07 117.12 129.50 1om4 n MET 618 Ca 0.31 -0.90 -0.13 0.00 -1.81 0.00 0.00 57.70 55.18 1om4 n MET 618 Cb 0.50 -1.23 -0.00 0.00 -0.71 0.00 0.00 33.22 31.78 1om4 n MET 618 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1om4 h ARG 619 N 1.43 0.62 -4.03 0.03 3.08 -2.04 -3.45 114.38 110.02 1om4 h ARG 619 Ca 0.00 -0.46 -0.27 0.00 0.07 0.00 0.00 59.98 59.32 1om4 h ARG 619 Cb 0.38 0.08 -0.28 0.00 0.08 0.00 0.00 29.97 30.23 1om4 h ARG 619 CO 0.01 1.08 -0.74 -1.59 -1.07 0.00 0.00 179.97 177.67 1om4 s LYS 620 N -3.81 0.22 0.48 0.04 -2.85 -1.26 -5.05 119.74 107.51 1om4 s LYS 620 Ca -0.08 -0.12 0.15 0.00 -1.00 0.00 0.00 55.97 54.92 1om4 s LYS 620 Cb 0.10 -0.20 1.15 0.00 -2.06 0.00 0.00 37.83 36.82 1om4 s LYS 620 CO 0.87 0.05 2.07 1.79 0.10 0.00 0.00 175.35 180.23 1om4 h THR 621 N 5.06 0.96 0.00 3.79 1.35 -1.88 -2.36 112.91 119.84 1om4 h THR 621 Ca -0.26 -0.07 0.00 0.00 -0.55 0.00 0.00 66.41 65.53 1om4 h THR 621 Cb 1.20 0.74 0.00 0.00 -1.73 0.00 0.00 68.15 68.36 1om4 h THR 621 CO 0.50 0.04 0.00 -1.54 -0.25 0.00 0.00 175.52 174.27 1om4 n SER 622 N -4.49 0.00 0.15 5.36 3.41 -1.26 0.04 113.62 116.83 1om4 n SER 622 Ca 0.03 0.45 0.13 0.00 -0.26 0.00 0.00 58.87 59.21 1om4 n SER 622 Cb 0.22 -0.45 0.35 0.00 -0.26 0.00 0.00 64.21 64.06 1om4 n SER 622 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1om4 h SER 623 N 0.00 0.00 -5.87 4.04 4.64 -1.70 -3.47 113.55 111.19 1om4 h SER 623 Ca 0.00 0.00 -0.40 0.00 -0.47 0.00 0.00 61.79 60.92 1om4 h SER 623 Cb 0.03 0.00 0.13 0.00 -0.31 0.00 0.00 62.40 62.25 1om4 h SER 623 CO 0.00 0.00 -0.69 0.18 -0.87 0.00 0.00 176.83 175.45 1om4 n LEU 624 N -2.57 -3.38 -0.18 5.97 4.77 0.11 -4.90 117.00 116.81 1om4 n LEU 624 Ca 0.05 -0.57 -0.10 0.00 -0.03 0.00 0.00 56.01 55.36 1om4 n LEU 624 Cb 0.45 -3.00 0.01 0.00 -2.33 0.00 0.00 43.42 38.54 1om4 n LEU 624 CO 0.31 0.63 0.76 4.11 -1.33 0.00 0.00 177.39 181.86 1om4 h TRP 625 N -2.61 1.06 -0.96 -1.77 5.08 -1.83 -1.22 115.95 113.70 1om4 h TRP 625 Ca -0.57 -0.21 0.07 0.00 1.08 0.00 0.00 58.89 59.26 1om4 h TRP 625 Cb 1.37 -0.26 -0.07 0.00 -3.00 0.00 0.00 29.16 27.20 1om4 h TRP 625 CO 0.50 1.00 0.61 0.87 -1.28 0.00 0.00 178.44 180.14 1om4 h LYS 626 N 0.82 1.06 -0.34 0.12 1.57 -1.90 0.31 116.57 118.21 1om4 h LYS 626 Ca 0.14 -0.06 -0.11 0.00 -1.87 0.00 0.00 60.65 58.75 1om4 h LYS 626 Cb 0.63 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 1om4 h LYS 626 CO 0.04 0.70 -0.20 -0.44 -0.57 0.00 0.00 179.45 178.98 1om4 h ASP 627 N 1.09 0.76 -0.44 0.86 5.19 -1.87 -1.38 116.42 120.63 1om4 h ASP 627 Ca 0.42 -0.42 -0.03 0.00 -0.62 0.00 0.00 57.03 56.38 1om4 h ASP 627 Cb 0.20 -0.21 -0.02 0.00 0.18 0.00 0.00 39.33 39.48 1om4 h ASP 627 CO -0.18 1.02 0.16 1.56 -3.12 0.00 0.00 179.24 178.68 1om4 h GLN 628 N 0.51 0.66 -0.62 3.56 4.20 -0.49 -2.53 115.11 120.40 1om4 h GLN 628 Ca 0.07 -0.13 -0.05 0.00 0.06 0.00 0.00 58.65 58.60 1om4 h GLN 628 Cb 0.75 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 28.40 1om4 h GLN 628 CO 0.06 0.62 0.19 0.00 -0.67 0.00 0.00 178.83 179.03 1om4 h ALA 629 N 1.01 0.81 -0.61 3.87 0.00 -0.94 -2.90 119.26 120.49 1om4 h ALA 629 Ca 0.14 -0.21 0.08 0.00 0.00 0.00 0.00 54.91 54.93 1om4 h ALA 629 Cb 0.22 -0.24 -0.07 0.00 0.00 0.00 0.00 17.79 17.70 1om4 h ALA 629 CO -0.01 0.48 0.27 1.25 0.00 0.00 0.00 179.25 181.24 1om4 h LEU 630 N 0.89 0.32 -0.38 0.00 5.85 -1.04 -1.26 115.31 119.68 1om4 h LEU 630 Ca 0.20 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.96 1om4 h LEU 630 Cb 0.30 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 1om4 h LEU 630 CO -0.01 0.20 0.17 0.58 -0.34 0.00 0.00 178.44 179.04 1om4 h VAL 631 N 0.48 1.18 -0.81 1.05 2.07 -1.31 -2.25 116.25 116.67 1om4 h VAL 631 Ca 0.30 -0.53 -0.00 0.00 0.82 0.00 0.00 66.70 67.29 1om4 h VAL 631 Cb 0.32 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 30.87 1om4 h VAL 631 CO -0.26 0.20 0.50 -0.33 0.02 0.00 0.00 177.57 177.69 1om4 h GLU 632 N 0.48 1.09 -0.82 1.57 4.39 -1.22 -0.26 114.58 119.81 1om4 h GLU 632 Ca 0.13 -0.09 -0.03 0.00 0.34 0.00 0.00 59.36 59.71 1om4 h GLU 632 Cb 0.15 -0.23 -0.04 0.00 -0.10 0.00 0.00 28.75 28.53 1om4 h GLU 632 CO -0.01 0.75 0.41 0.82 -1.16 0.00 0.00 179.01 179.82 1om4 h ILE 633 N 1.11 1.25 0.00 3.13 2.04 -1.09 -0.79 117.51 123.16 1om4 h ILE 633 Ca 0.29 -0.69 -0.11 0.00 1.00 0.00 0.00 64.86 65.35 1om4 h ILE 633 Cb -0.07 0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 36.19 1om4 h ILE 633 CO -0.06 0.30 -0.55 0.78 0.00 0.00 0.00 178.15 178.62 1om4 h ASN 634 N 1.16 0.00 -0.48 1.72 4.21 -0.91 -1.69 115.58 119.60 1om4 h ASN 634 Ca 0.28 0.00 -0.12 0.00 1.21 0.00 0.00 56.30 57.68 1om4 h ASN 634 Cb 0.10 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.28 1om4 h ASN 634 CO -0.04 0.55 -0.16 0.40 -1.29 0.00 0.00 177.43 176.89 1om4 h ILE 635 N 0.00 1.27 -0.53 2.81 2.04 -0.49 -2.66 117.51 119.95 1om4 h ILE 635 Ca -0.01 -1.31 -0.03 0.00 1.00 0.00 0.00 64.86 64.52 1om4 h ILE 635 Cb 1.04 1.12 -0.02 0.00 -0.74 0.00 0.00 36.82 38.21 1om4 h ILE 635 CO 0.07 0.45 0.21 0.00 0.00 0.00 0.00 178.15 178.88 1om4 h ALA 636 N 0.87 0.69 0.00 1.87 0.00 -0.82 -0.94 119.26 120.94 1om4 h ALA 636 Ca 0.11 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1om4 h ALA 636 Cb 0.73 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1om4 h ALA 636 CO 0.06 0.30 -0.00 0.28 0.00 0.00 0.00 179.25 179.89 1om4 h VAL 637 N 0.72 1.02 -0.10 0.00 2.07 -1.22 -0.66 116.25 118.08 1om4 h VAL 637 Ca 0.18 -0.07 -0.00 0.00 0.82 0.00 0.00 66.70 67.63 1om4 h VAL 637 Cb 0.20 1.07 -0.00 0.00 -1.52 0.00 0.00 31.29 31.03 1om4 h VAL 637 CO -0.01 0.02 0.05 -0.07 0.02 0.00 0.00 177.57 177.57 1om4 h LEU 638 N -0.03 0.13 -0.68 2.57 3.38 -1.40 -2.23 115.31 117.05 1om4 h LEU 638 Ca -0.00 -0.12 0.07 0.00 0.09 0.00 0.00 57.88 57.92 1om4 h LEU 638 Cb 0.03 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 40.68 1om4 h LEU 638 CO 0.00 0.21 0.36 0.22 0.09 0.00 0.00 178.44 179.33 1om4 h TYR 639 N 0.04 0.66 0.07 1.13 3.20 -1.07 -0.85 116.97 120.14 1om4 h TYR 639 Ca 0.03 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.93 1om4 h TYR 639 Cb 0.12 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.20 1om4 h TYR 639 CO -0.03 0.28 -0.03 0.77 -1.64 0.00 0.00 178.16 177.51 1om4 h SER 640 N 0.65 -0.08 -0.31 -2.11 0.02 -0.98 0.60 113.55 111.33 1om4 h SER 640 Ca 0.32 -0.20 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1om4 h SER 640 Cb 0.26 0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.80 1om4 h SER 640 CO -0.22 0.15 0.20 -0.26 -1.14 0.00 0.00 176.83 175.57 1om4 h PHE 641 N -0.31 0.38 -0.50 3.45 -1.00 -1.24 -0.71 116.94 117.01 1om4 h PHE 641 Ca -0.01 0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1om4 h PHE 641 Cb 0.27 -0.13 -0.02 0.00 3.61 0.00 0.00 35.95 39.68 1om4 h PHE 641 CO -0.00 0.24 0.33 1.96 -1.61 0.00 0.00 178.31 179.23 1om4 h GLN 642 N 0.41 0.66 -0.39 1.51 4.20 -1.12 0.09 115.11 120.48 1om4 h GLN 642 Ca 0.11 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.76 1om4 h GLN 642 Cb -0.04 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.57 1om4 h GLN 642 CO -0.03 0.44 0.13 0.77 -0.67 0.00 0.00 178.83 179.47 1om4 h SER 643 N 0.68 0.51 -0.34 1.46 0.02 -0.48 -1.25 113.55 114.15 1om4 h SER 643 Ca 0.18 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1om4 h SER 643 Cb -0.08 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.33 1om4 h SER 643 CO -0.04 0.49 0.00 0.47 -1.14 0.00 0.00 176.83 176.61 1om4 n ASP 644 N -4.36 2.15 -3.67 3.07 8.00 -0.31 -4.93 116.55 116.49 1om4 n ASP 644 Ca 0.02 -1.91 -0.24 0.00 0.71 0.00 0.00 54.79 53.38 1om4 n ASP 644 Cb 0.16 -0.22 0.06 0.00 -0.02 0.00 0.00 41.12 41.10 1om4 n ASP 644 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1om4 n LYS 645 N 0.65 -6.46 -4.14 -1.24 5.02 -0.44 -4.99 118.16 106.57 1om4 n LYS 645 Ca 0.15 0.73 -0.34 0.00 -2.02 0.00 0.00 58.31 56.82 1om4 n LYS 645 Cb 0.36 -5.64 -0.14 0.00 -0.02 0.00 0.00 35.03 29.60 1om4 n LYS 645 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1om4 s VAL 646 N -3.39 3.48 0.21 -0.18 1.01 -0.11 -4.32 120.40 117.10 1om4 s VAL 646 Ca 0.38 -0.47 -0.32 0.00 0.00 0.00 0.00 61.98 61.57 1om4 s VAL 646 Cb -0.18 -2.56 -0.15 0.00 0.00 0.00 0.00 36.38 33.50 1om4 s VAL 646 CO 0.77 0.45 1.20 0.41 0.00 0.00 0.00 175.10 177.93 1om4 n THR 647 N 4.35 1.08 -3.56 3.92 -1.04 -0.06 -4.28 114.28 114.69 1om4 n THR 647 Ca -0.18 -0.27 -0.12 0.00 -2.04 0.00 0.00 64.05 61.44 1om4 n THR 647 Cb 0.51 -1.03 -0.05 0.00 -1.82 0.00 0.00 70.33 67.94 1om4 n THR 647 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 1om4 s ILE 648 N -0.30 0.00 -0.01 12.58 2.07 -1.26 -4.43 121.20 129.85 1om4 s ILE 648 Ca 0.70 0.00 0.04 0.00 -1.41 0.00 0.00 60.65 59.98 1om4 s ILE 648 Cb -0.78 -1.00 -0.01 0.00 0.13 0.00 0.00 42.46 40.80 1om4 s ILE 648 CO 0.53 0.00 -0.14 0.54 -1.91 0.00 0.00 174.94 173.96 1om4 s VAL 649 N -1.28 1.09 0.61 4.00 0.11 -0.55 -4.99 120.40 119.40 1om4 s VAL 649 Ca -0.04 -0.59 -0.09 0.00 -2.93 0.00 0.00 61.98 58.33 1om4 s VAL 649 Cb -0.00 -0.91 -0.02 0.00 -1.53 0.00 0.00 36.38 33.92 1om4 s VAL 649 CO 0.03 0.31 0.98 1.51 -3.33 0.00 0.00 175.10 174.60 1om4 s ASP 650 N -0.31 5.90 0.51 3.54 -4.77 -1.26 -0.19 116.67 120.09 1om4 s ASP 650 Ca 0.05 1.12 0.25 0.00 -3.30 0.00 0.00 52.55 50.68 1om4 s ASP 650 Cb -0.05 -2.14 1.37 0.00 -1.09 0.00 0.00 42.92 41.00 1om4 s ASP 650 CO -0.00 -0.98 2.05 1.12 0.70 0.00 0.00 175.17 178.05 1om4 h HIS 651 N -0.29 0.00 0.18 2.11 2.07 -1.98 -1.32 115.15 115.93 1om4 h HIS 651 Ca -0.45 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.06 1om4 h HIS 651 Cb 1.22 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.20 1om4 h HIS 651 CO 0.57 0.14 -0.09 0.45 -3.07 0.00 0.00 177.93 175.93 1om4 h HIS 652 N 0.00 -0.23 -0.40 6.12 3.86 -1.96 -2.22 115.15 120.32 1om4 h HIS 652 Ca -0.00 -0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.21 1om4 h HIS 652 Cb 0.35 0.08 -0.02 0.00 1.06 0.00 0.00 27.41 28.88 1om4 h HIS 652 CO 0.00 0.18 0.25 1.03 0.86 0.00 0.00 177.93 180.25 1om4 h SER 653 N -0.75 0.43 -0.56 2.45 0.87 -1.92 -1.89 113.55 112.18 1om4 h SER 653 Ca -0.03 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.52 1om4 h SER 653 Cb 0.51 -0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 62.34 1om4 h SER 653 CO 0.04 0.31 0.31 0.00 -0.53 0.00 0.00 176.83 176.97 1om4 h ALA 654 N 1.16 0.72 -0.12 6.23 0.00 -1.30 -1.50 119.26 124.45 1om4 h ALA 654 Ca 0.15 -0.09 -0.15 0.00 0.00 0.00 0.00 54.91 54.82 1om4 h ALA 654 Cb -0.04 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1om4 h ALA 654 CO -0.05 0.23 -0.58 1.79 0.00 0.00 0.00 179.25 180.65 1om4 h THR 655 N 0.76 1.35 -0.33 0.00 1.35 -1.30 -1.14 112.91 113.60 1om4 h THR 655 Ca 0.20 -1.88 -0.02 0.00 -0.55 0.00 0.00 66.41 64.16 1om4 h THR 655 Cb 0.03 1.89 -0.01 0.00 -1.73 0.00 0.00 68.15 68.33 1om4 h THR 655 CO -0.03 0.57 0.14 -0.08 -0.25 0.00 0.00 175.52 175.86 1om4 h GLU 656 N 0.30 0.48 -0.63 4.72 4.81 -1.15 -1.55 114.58 121.56 1om4 h GLU 656 Ca -0.00 -0.08 -0.08 0.00 -0.13 0.00 0.00 59.36 59.07 1om4 h GLU 656 Cb 1.10 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.37 1om4 h GLU 656 CO 0.10 0.48 0.09 0.77 -0.73 0.00 0.00 179.01 179.72 1om4 h SER 657 N 0.38 0.99 -0.91 1.04 0.02 -1.18 -2.62 113.55 111.27 1om4 h SER 657 Ca 0.11 -0.23 -0.00 0.00 -0.84 0.00 0.00 61.79 60.83 1om4 h SER 657 Cb 0.17 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 62.40 1om4 h SER 657 CO -0.01 0.99 0.56 0.15 -1.14 0.00 0.00 176.83 177.38 1om4 h PHE 658 N 0.97 1.19 -0.58 3.45 3.57 -0.83 0.66 116.94 125.35 1om4 h PHE 658 Ca 0.19 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.66 1om4 h PHE 658 Cb 0.43 -0.39 -0.03 0.00 2.79 0.00 0.00 35.95 38.75 1om4 h PHE 658 CO 0.03 0.78 0.22 0.82 -2.23 0.00 0.00 178.31 177.93 1om4 h ILE 659 N 1.25 1.23 -0.60 1.41 1.08 -0.97 0.41 117.51 121.32 1om4 h ILE 659 Ca 0.33 -0.73 -0.05 0.00 -0.39 0.00 0.00 64.86 64.02 1om4 h ILE 659 Cb -0.08 0.61 -0.03 0.00 -3.07 0.00 0.00 36.82 34.26 1om4 h ILE 659 CO -0.06 0.28 0.19 0.11 -0.69 0.00 0.00 178.15 177.98 1om4 h LYS 660 N 0.81 0.93 -0.37 2.37 1.57 -1.08 -0.96 116.57 119.85 1om4 h LYS 660 Ca 0.19 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1om4 h LYS 660 Cb 0.22 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 1om4 h LYS 660 CO -0.01 0.83 0.17 1.25 -0.57 0.00 0.00 179.45 181.12 1om4 h HIS 661 N 0.85 0.54 -0.45 -1.35 2.76 -0.42 -1.65 115.15 115.43 1om4 h HIS 661 Ca 0.19 -0.03 0.01 0.00 -2.20 0.00 0.00 60.37 58.34 1om4 h HIS 661 Cb 0.28 -0.17 -0.02 0.00 1.55 0.00 0.00 27.41 29.05 1om4 h HIS 661 CO 0.02 0.46 0.30 1.98 -1.30 0.00 0.00 177.93 179.38 1om4 h MET 662 N 0.46 0.59 -0.67 5.26 1.85 0.17 -0.07 114.93 122.52 1om4 h MET 662 Ca 0.13 -0.04 -0.05 0.00 -0.61 0.00 0.00 59.70 59.13 1om4 h MET 662 Cb 0.13 -0.13 -0.03 0.00 0.43 0.00 0.00 31.60 31.99 1om4 h MET 662 CO -0.02 0.39 0.23 0.93 -0.40 0.00 0.00 176.91 178.04 1om4 h GLU 663 N 0.61 1.01 -0.64 0.39 5.08 -1.05 -1.24 114.58 118.75 1om4 h GLU 663 Ca 0.17 -0.19 -0.07 0.00 -1.00 0.00 0.00 59.36 58.26 1om4 h GLU 663 Cb -0.06 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.00 1om4 h GLU 663 CO -0.04 0.85 0.12 -0.97 -1.00 0.00 0.00 179.01 177.97 1om4 h ASN 664 N 0.98 1.01 -0.70 1.42 -1.24 -0.77 -2.35 115.58 113.93 1om4 h ASN 664 Ca 0.22 -0.25 -0.07 0.00 0.71 0.00 0.00 56.30 56.91 1om4 h ASN 664 Cb 0.25 -0.27 -0.03 0.00 0.73 0.00 0.00 38.32 39.01 1om4 h ASN 664 CO -0.01 1.00 0.16 -0.33 -1.29 0.00 0.00 177.43 176.97 1om4 h GLU 665 N 0.97 1.12 -0.75 6.67 4.39 -0.54 0.73 114.58 127.17 1om4 h GLU 665 Ca 0.20 -0.27 -0.02 0.00 0.34 0.00 0.00 59.36 59.61 1om4 h GLU 665 Cb 0.42 -0.15 -0.04 0.00 -0.10 0.00 0.00 28.75 28.89 1om4 h GLU 665 CO 0.01 0.99 0.40 1.88 -1.16 0.00 0.00 179.01 181.13 1om4 h TYR 666 N 1.06 1.05 0.01 4.33 -1.99 -1.01 0.56 116.97 120.98 1om4 h TYR 666 Ca 0.22 -0.03 -0.20 0.00 2.00 0.00 0.00 58.73 60.72 1om4 h TYR 666 Cb 0.38 -0.33 -0.01 0.00 2.00 0.00 0.00 36.73 38.76 1om4 h TYR 666 CO 0.03 0.75 -0.89 0.00 -0.00 0.00 0.00 178.16 178.05 1om4 h ARG 667 N 1.04 0.17 0.00 4.88 3.08 -1.07 -1.06 114.38 121.42 1om4 h ARG 667 Ca 0.26 -0.19 -0.22 0.00 0.07 0.00 0.00 59.98 59.90 1om4 h ARG 667 Cb 0.06 0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.13 1om4 h ARG 667 CO -0.04 0.95 -2.21 0.00 -1.07 0.00 0.00 179.97 177.60 1om4 n ARG 669 N -2.54 3.19 -0.53 0.00 0.63 0.19 -5.01 116.66 112.59 1om4 n ARG 669 Ca -0.21 -0.02 0.00 0.00 -0.92 0.00 0.00 57.85 56.70 1om4 n ARG 669 Cb 0.91 -0.88 0.00 0.00 0.45 0.00 0.00 32.46 32.94 1om4 n ARG 669 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1om4 n GLY 670 N 1.60 0.73 0.00 5.14 0.00 -0.40 -4.61 105.19 107.65 1om4 n GLY 670 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1om4 n GLY 670 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1om4 n GLY 671 N -2.53 0.85 3.14 -0.02 0.00 -1.13 -0.98 105.19 104.52 1om4 n GLY 671 Ca 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.84 1om4 n GLY 671 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1om4 n PRO 673 N 4.79 2.58 -3.77 0.00 -0.04 -1.26 -4.70 135.00 132.61 1om4 n PRO 673 Ca 0.08 0.93 -0.13 0.00 -0.04 0.00 0.00 63.50 64.34 1om4 n PRO 673 Cb 0.55 -2.72 -0.11 0.00 -0.04 0.00 0.00 33.50 31.17 1om4 n PRO 673 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1om4 s ALA 674 N 0.70 -0.71 -0.58 0.55 0.00 -0.06 -4.21 121.76 117.44 1om4 s ALA 674 Ca 0.72 0.85 -0.17 0.00 0.00 0.00 0.00 51.96 53.37 1om4 s ALA 674 Cb -0.55 -0.50 0.13 0.00 0.00 0.00 0.00 23.12 22.20 1om4 s ALA 674 CO 0.39 -0.15 0.60 0.34 0.00 0.00 0.00 175.76 176.95 1om4 s ASP 675 N 0.28 6.23 0.27 0.00 -1.08 0.11 -3.69 116.67 118.79 1om4 s ASP 675 Ca -0.01 -1.72 -0.00 0.00 -0.52 0.00 0.00 52.55 50.29 1om4 s ASP 675 Cb -0.03 -2.25 0.56 0.00 -1.46 0.00 0.00 42.92 39.75 1om4 s ASP 675 CO -0.01 -0.94 1.75 -0.25 0.52 0.00 0.00 175.17 176.24 1om4 h TRP 676 N 8.93 0.72 -0.73 -5.34 7.01 -1.93 0.15 115.95 124.77 1om4 h TRP 676 Ca -0.27 0.04 0.10 0.00 2.11 0.00 0.00 58.89 60.87 1om4 h TRP 676 Cb 1.09 -0.19 -0.05 0.00 -2.10 0.00 0.00 29.16 27.91 1om4 h TRP 676 CO 0.79 0.13 0.48 0.28 -2.79 0.00 0.00 178.44 177.34 1om4 h VAL 677 N 0.57 0.91 0.00 2.65 2.07 -1.92 -1.98 116.25 118.55 1om4 h VAL 677 Ca 0.48 -0.20 -0.33 0.00 0.82 0.00 0.00 66.70 67.46 1om4 h VAL 677 Cb 0.73 0.26 -0.06 0.00 -1.52 0.00 0.00 31.29 30.70 1om4 h VAL 677 CO -0.40 0.11 -2.06 0.79 0.02 0.00 0.00 177.57 176.03 1om4 n TRP 678 N -4.49 0.51 -0.10 1.57 7.02 -0.46 -4.46 117.44 117.03 1om4 n TRP 678 Ca 0.12 0.18 -0.13 0.00 -1.02 0.00 0.00 57.50 56.65 1om4 n TRP 678 Cb 0.37 -1.09 -0.04 0.00 -2.42 0.00 0.00 31.31 28.12 1om4 n TRP 678 CO 0.00 0.00 0.00 0.82 -2.02 0.00 0.00 177.69 176.49 1om4 h ILE 679 N 0.00 1.30 -2.72 -0.99 1.08 -0.48 -3.43 117.51 112.28 1om4 h ILE 679 Ca -0.42 -1.37 -0.53 0.00 -0.39 0.00 0.00 64.86 62.14 1om4 h ILE 679 Cb 2.12 1.54 0.02 0.00 -3.07 0.00 0.00 36.82 37.43 1om4 h ILE 679 CO 0.05 0.44 0.97 -0.69 -0.69 0.00 0.00 178.15 178.23 1om4 s VAL 680 N -4.45 3.10 0.70 1.67 1.01 -0.77 -4.94 120.40 116.71 1om4 s VAL 680 Ca -0.13 0.55 -0.16 0.00 0.00 0.00 0.00 61.98 62.24 1om4 s VAL 680 Cb 0.08 -3.36 0.01 0.00 0.00 0.00 0.00 36.38 33.11 1om4 s VAL 680 CO 0.82 -0.00 1.10 -2.65 0.00 0.00 0.00 175.10 174.37 1om4 n PRO 681 N 5.50 0.69 0.00 2.72 -0.02 -1.26 -4.89 135.00 137.75 1om4 n PRO 681 Ca 0.15 0.29 0.05 0.00 -2.02 0.00 0.00 63.50 61.98 1om4 n PRO 681 Cb 0.41 -2.34 0.30 0.00 -0.02 0.00 0.00 33.50 31.85 1om4 n PRO 681 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1om4 n PRO 682 N -1.97 0.58 -3.84 0.52 -0.04 -1.26 -4.29 135.00 124.70 1om4 n PRO 682 Ca 0.14 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.50 1om4 n PRO 682 Cb 0.49 -1.27 -0.08 0.00 -0.04 0.00 0.00 33.50 32.60 1om4 n PRO 682 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1om4 s MET 683 N -2.00 0.79 -1.12 0.54 0.23 -1.26 -4.91 119.30 111.57 1om4 s MET 683 Ca 0.15 -0.78 -0.10 0.00 -1.03 0.00 0.00 55.69 53.93 1om4 s MET 683 Cb 0.07 0.33 0.09 0.00 -1.53 0.00 0.00 34.83 33.79 1om4 s MET 683 CO 0.12 -0.24 0.38 0.43 -2.03 0.00 0.00 175.02 173.68 1om4 n SER 684 N 0.29 -2.69 -0.32 -1.18 7.64 -1.26 -4.84 113.62 111.25 1om4 n SER 684 Ca -0.17 -0.36 -0.11 0.00 1.01 0.00 0.00 58.87 59.24 1om4 n SER 684 Cb 0.61 -2.29 -0.09 0.00 -1.01 0.00 0.00 64.21 61.43 1om4 n SER 684 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1om4 h GLY 685 N -0.69 -0.84 1.98 0.23 0.00 -1.91 -1.86 103.07 99.98 1om4 h GLY 685 Ca -0.36 0.75 0.00 0.00 0.00 0.00 0.00 47.33 47.72 1om4 h GLY 685 CO 0.49 -0.02 0.00 -1.14 0.00 0.00 0.00 176.54 175.86 1om4 n SER 686 N -5.31 0.00 -0.92 0.19 3.41 -1.26 -2.19 113.62 107.54 1om4 n SER 686 Ca 0.01 0.48 0.08 0.00 -0.26 0.00 0.00 58.87 59.18 1om4 n SER 686 Cb 0.30 -0.49 0.22 0.00 -0.26 0.00 0.00 64.21 63.97 1om4 n SER 686 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1om4 n ILE 687 N -1.49 0.67 -4.50 -1.33 -5.35 -0.70 -4.81 119.36 101.85 1om4 n ILE 687 Ca 0.04 -0.66 -0.32 0.00 -0.27 0.00 0.00 62.75 61.53 1om4 n ILE 687 Cb 0.18 0.32 -0.11 0.00 -1.74 0.00 0.00 39.64 38.29 1om4 n ILE 687 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 1om4 s THR 688 N -1.35 3.58 0.51 7.28 -4.23 -0.93 -5.03 115.64 115.47 1om4 s THR 688 Ca 0.33 -0.76 0.18 0.00 -1.18 0.00 0.00 61.69 60.26 1om4 s THR 688 Cb 0.17 -2.54 0.31 0.00 1.34 0.00 0.00 72.50 71.78 1om4 s THR 688 CO 0.22 0.42 2.09 1.55 -0.54 0.00 0.00 174.62 178.37 1om4 h PRO 689 N 4.63 0.04 0.00 3.99 0.13 -1.87 -2.92 132.00 136.01 1om4 h PRO 689 Ca -0.48 -0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.62 1om4 h PRO 689 Cb 1.17 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.28 1om4 h PRO 689 CO 0.53 0.03 -0.10 -0.39 -0.23 0.00 0.00 178.00 177.84 1om4 h VAL 690 N 0.05 1.04 -0.91 1.56 -1.51 -1.89 -2.50 116.25 112.09 1om4 h VAL 690 Ca 0.09 -0.36 0.06 0.00 -1.23 0.00 0.00 66.70 65.26 1om4 h VAL 690 Cb 0.31 1.19 -0.06 0.00 -2.13 0.00 0.00 31.29 30.61 1om4 h VAL 690 CO -0.01 0.10 0.59 0.15 -1.23 0.00 0.00 177.57 177.18 1om4 h PHE 691 N 0.00 1.06 -0.13 5.19 3.57 -1.71 -1.95 116.94 122.98 1om4 h PHE 691 Ca -0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1om4 h PHE 691 Cb 0.19 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 38.58 1om4 h PHE 691 CO 0.00 0.57 0.00 0.72 -2.23 0.00 0.00 178.31 177.37 1om4 n HIS 692 N -4.48 0.16 -3.68 0.41 8.25 -0.95 -4.85 115.22 110.09 1om4 n HIS 692 Ca 0.13 -0.08 -0.37 0.00 -0.26 0.00 0.00 57.72 57.14 1om4 n HIS 692 Cb 0.17 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.18 1om4 n HIS 692 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 1om4 s GLN 693 N -1.84 3.93 0.37 -0.41 2.00 -0.73 -1.16 119.66 121.81 1om4 s GLN 693 Ca 0.33 -0.34 -0.26 0.00 -2.00 0.00 0.00 55.36 53.09 1om4 s GLN 693 Cb 0.18 -3.52 -0.09 0.00 0.80 0.00 0.00 33.01 30.37 1om4 s GLN 693 CO 0.27 -0.08 1.08 -1.21 -0.50 0.00 0.00 175.29 174.86 1om4 s GLU 694 N 1.42 4.27 0.11 1.67 2.02 -0.81 -5.00 118.70 122.38 1om4 s GLU 694 Ca 0.07 1.65 0.03 0.00 0.02 0.00 0.00 54.97 56.74 1om4 s GLU 694 Cb -0.15 -2.74 -0.04 0.00 0.10 0.00 0.00 34.13 31.30 1om4 s GLU 694 CO 0.07 -0.08 -0.09 -1.64 0.02 0.00 0.00 175.26 173.54 1om4 s MET 695 N -2.18 0.88 -0.11 1.61 -1.94 -1.26 -4.63 119.30 111.67 1om4 s MET 695 Ca 0.54 -1.29 0.02 0.00 -1.71 0.00 0.00 55.69 53.26 1om4 s MET 695 Cb -0.26 -0.42 -0.00 0.00 2.01 0.00 0.00 34.83 36.16 1om4 s MET 695 CO 0.33 0.04 -0.20 -0.51 -0.01 0.00 0.00 175.02 174.67 1om4 s LEU 696 N -2.83 2.30 -0.21 -0.03 1.43 -1.26 -4.96 118.68 113.12 1om4 s LEU 696 Ca 0.10 -0.49 -0.04 0.00 -1.03 0.00 0.00 54.13 52.68 1om4 s LEU 696 Cb 0.01 -1.48 -0.01 0.00 0.03 0.00 0.00 46.19 44.74 1om4 s LEU 696 CO -0.02 0.15 -0.04 0.21 0.23 0.00 0.00 176.35 176.89 1om4 s ASN 697 N 0.39 4.42 0.15 2.29 3.04 -1.24 -0.88 114.94 123.09 1om4 s ASN 697 Ca -0.15 -0.33 -0.12 0.00 0.04 0.00 0.00 52.86 52.29 1om4 s ASN 697 Cb -0.17 -1.75 0.01 0.00 -1.54 0.00 0.00 41.25 37.80 1om4 s ASN 697 CO 0.07 0.02 0.34 -0.72 -3.04 0.00 0.00 177.10 173.77 1om4 s TYR 698 N 1.23 0.11 -0.23 0.43 -0.85 -1.26 -4.97 117.35 111.80 1om4 s TYR 698 Ca 0.03 -0.47 -0.07 0.00 -0.52 0.00 0.00 57.07 56.04 1om4 s TYR 698 Cb -0.14 0.10 -0.03 0.00 0.38 0.00 0.00 41.96 42.27 1om4 s TYR 698 CO -0.01 -0.72 0.06 1.03 -1.52 0.00 0.00 175.55 174.39 1om4 s ARG 699 N -3.89 3.70 0.14 -3.49 0.52 -1.26 -4.83 118.95 109.85 1om4 s ARG 699 Ca 0.10 -0.46 0.09 0.00 -0.52 0.00 0.00 55.73 54.93 1om4 s ARG 699 Cb 0.02 -3.27 -0.04 0.00 0.52 0.00 0.00 34.95 32.19 1om4 s ARG 699 CO -0.06 -0.08 -0.16 -0.51 0.02 0.00 0.00 175.30 174.52 1om4 s LEU 700 N 1.31 2.78 0.15 2.53 1.43 -1.26 -3.64 118.68 121.97 1om4 s LEU 700 Ca 0.05 -0.58 0.09 0.00 -1.03 0.00 0.00 54.13 52.66 1om4 s LEU 700 Cb -0.15 -1.57 -0.04 0.00 0.03 0.00 0.00 46.19 44.47 1om4 s LEU 700 CO 0.03 0.15 -0.13 0.42 0.23 0.00 0.00 176.35 177.05 1om4 s THR 701 N -1.36 3.08 0.80 5.49 -4.23 -1.26 -4.26 115.64 113.90 1om4 s THR 701 Ca 0.20 -1.56 -0.14 0.00 -1.18 0.00 0.00 61.69 59.02 1om4 s THR 701 Cb -0.10 -2.48 0.04 0.00 1.34 0.00 0.00 72.50 71.31 1om4 s THR 701 CO 0.12 -0.01 0.92 -2.65 -0.54 0.00 0.00 174.62 172.46 1om4 n PRO 702 N 0.40 0.20 -3.72 3.99 -0.02 -1.26 -5.02 135.00 129.57 1om4 n PRO 702 Ca -0.13 0.13 -0.10 0.00 -2.02 0.00 0.00 63.50 61.39 1om4 n PRO 702 Cb 0.54 -2.20 -0.03 0.00 -0.02 0.00 0.00 33.50 31.78 1om4 n PRO 702 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1om4 s SER 703 N -1.89 -0.29 -0.17 2.55 1.04 -0.76 -3.94 113.70 110.23 1om4 s SER 703 Ca 0.70 -0.45 -0.07 0.00 0.48 0.00 0.00 55.95 56.60 1om4 s SER 703 Cb -0.30 0.60 -0.04 0.00 0.10 0.00 0.00 66.02 66.38 1om4 s SER 703 CO 0.54 -1.08 0.05 -0.36 0.98 0.00 0.00 173.24 173.38 1om4 s PHE 704 N -3.87 3.24 0.20 5.02 0.40 -1.26 -0.67 117.98 121.04 1om4 s PHE 704 Ca 0.09 0.06 0.07 0.00 -0.60 0.00 0.00 56.93 56.55 1om4 s PHE 704 Cb -0.02 -2.05 -0.05 0.00 0.51 0.00 0.00 43.02 41.41 1om4 s PHE 704 CO -0.03 0.17 -0.14 -1.21 0.70 0.00 0.00 175.22 174.71 1om4 s GLU 705 N 0.28 1.30 0.51 0.44 0.41 0.12 -4.93 118.70 116.84 1om4 s GLU 705 Ca 0.03 -1.58 -0.13 0.00 -0.41 0.00 0.00 54.97 52.88 1om4 s GLU 705 Cb -0.12 -1.06 -0.06 0.00 -1.78 0.00 0.00 34.13 31.11 1om4 s GLU 705 CO 0.00 0.17 0.93 0.71 -0.49 0.00 0.00 175.26 176.58 1om4 s TYR 706 N -3.02 3.51 0.03 1.61 4.12 -1.26 -0.04 117.35 122.29 1om4 s TYR 706 Ca 0.22 1.27 -0.07 0.00 0.02 0.00 0.00 57.07 58.50 1om4 s TYR 706 Cb -0.00 -2.65 -0.00 0.00 -1.52 0.00 0.00 41.96 37.79 1om4 s TYR 706 CO 0.06 -0.38 0.13 1.14 0.02 0.00 0.00 175.55 176.52 1om4 s GLN 707 N -4.37 0.58 0.66 -0.62 -2.07 -1.26 -4.74 119.66 107.84 1om4 s GLN 707 Ca 0.55 -0.60 -0.17 0.00 -1.82 0.00 0.00 55.36 53.32 1om4 s GLN 707 Cb -0.10 0.23 0.00 0.00 -1.09 0.00 0.00 33.01 32.05 1om4 s GLN 707 CO 0.38 -0.15 1.24 -1.25 -1.32 0.00 0.00 175.29 174.20 1om4 s PRO 708 N -2.15 2.50 0.32 9.60 0.04 -1.26 -4.92 135.00 139.12 1om4 s PRO 708 Ca -0.09 1.90 -0.29 0.00 0.04 0.00 0.00 61.00 62.56 1om4 s PRO 708 Cb -0.03 -1.86 -0.11 0.00 0.04 0.00 0.00 34.50 32.53 1om4 s PRO 708 CO -0.02 -1.59 1.58 -0.51 0.04 0.00 0.00 177.00 176.49 1om4 s ASP 709 N -1.67 6.34 0.46 6.66 1.01 -1.26 -4.88 116.67 123.34 1om4 s ASP 709 Ca 0.78 3.00 0.17 0.00 0.71 0.00 0.00 52.55 57.21 1om4 s ASP 709 Cb -0.33 -2.64 1.13 0.00 1.01 0.00 0.00 42.92 42.09 1om4 s ASP 709 CO 0.40 -0.92 1.99 1.55 0.21 0.00 0.00 175.17 178.40 1om4 h PRO 710 N 4.39 0.28 0.00 8.23 0.13 -1.91 -2.07 132.00 141.06 1om4 h PRO 710 Ca -0.48 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1om4 h PRO 710 Cb 1.23 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1om4 h PRO 710 CO 0.76 0.18 0.00 0.11 -0.23 0.00 0.00 178.00 178.82 1om4 h TRP 711 N 0.29 0.00 0.00 1.56 0.09 -1.95 0.96 115.95 116.90 1om4 h TRP 711 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.23 1om4 h TRP 711 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.85 1om4 h TRP 711 CO -0.00 0.00 -0.57 0.09 0.09 0.00 0.00 178.44 178.05 1om4 n ASN 712 N -2.61 0.70 0.00 0.11 3.02 -0.78 -4.42 115.26 111.28 1om4 n ASN 712 Ca 0.01 0.15 0.00 0.00 -0.03 0.00 0.00 54.58 54.71 1om4 n ASN 712 Cb 0.22 0.08 0.00 0.00 -0.61 0.00 0.00 39.78 39.47 1om4 n ASN 712 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1om4 n THR 713 N -2.11 0.00 -1.69 3.41 -2.24 -0.92 -5.07 114.28 105.66 1om4 n THR 713 Ca 0.03 0.00 -0.44 0.00 -2.27 0.00 0.00 64.05 61.37 1om4 n THR 713 Cb 0.44 0.13 -0.03 0.00 -2.10 0.00 0.00 70.33 68.76 1om4 n THR 713 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1om4 n HIS 714 N -1.35 2.46 -3.15 4.78 -0.00 0.29 -4.95 115.22 113.30 1om4 n HIS 714 Ca 0.00 0.25 -0.43 0.00 -0.00 0.00 0.00 57.72 57.54 1om4 n HIS 714 Cb 0.09 -2.56 -0.07 0.00 -0.00 0.00 0.00 29.99 27.46 1om4 n HIS 714 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 1om4 s VAL 715 N 0.57 4.86 0.25 3.57 1.01 -1.26 -5.01 120.40 124.39 1om4 s VAL 715 Ca 0.73 -0.28 -0.30 0.00 0.00 0.00 0.00 61.98 62.13 1om4 s VAL 715 Cb -0.60 -4.26 -0.09 0.00 0.00 0.00 0.00 36.38 31.43 1om4 s VAL 715 CO 0.41 -0.72 1.29 0.26 0.00 0.00 0.00 175.10 176.33 1om4 s TRP 716 N 2.69 3.22 -0.06 5.22 0.52 -1.26 -4.90 118.94 124.38 1om4 s TRP 716 Ca 0.18 1.34 0.19 0.00 0.02 0.00 0.00 56.10 57.82 1om4 s TRP 716 Cb -0.17 -3.59 -0.28 0.00 -1.15 0.00 0.00 33.47 28.27 1om4 s TRP 716 CO 0.14 -1.73 0.34 1.63 0.02 0.00 0.00 176.95 177.36 1om4 n LYS 717 N 1.83 0.69 -0.64 4.98 5.02 -1.26 -5.11 118.16 123.67 1om4 n LYS 717 Ca 0.03 -0.14 0.00 0.00 -2.02 0.00 0.00 58.31 56.18 1om4 n LYS 717 Cb 0.43 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 33.98 1om4 n LYS 717 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29