#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ayr h ALA 307 N 0.00 0.90 0.00 -1.18 0.00 -1.98 -2.80 119.26 114.20 2ayr h ALA 307 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2ayr h ALA 307 Cb 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.68 2ayr h ALA 307 CO 0.00 0.63 0.00 1.28 0.00 0.00 0.00 179.25 181.16 2ayr n LEU 308 N -4.04 0.00 0.03 0.00 4.77 -1.26 -2.50 117.00 114.00 2ayr n LEU 308 Ca -0.01 0.42 0.11 0.00 -0.03 0.00 0.00 56.01 56.49 2ayr n LEU 308 Cb 0.50 -0.42 -0.10 0.00 -2.33 0.00 0.00 43.42 41.08 2ayr n LEU 308 CO 0.44 -0.12 -0.42 -1.54 -1.33 0.00 0.00 177.39 174.42 2ayr n SER 309 N -1.42 0.36 -4.72 -1.43 3.41 -1.06 -4.98 113.62 103.80 2ayr n SER 309 Ca 0.07 0.09 -0.38 0.00 -0.26 0.00 0.00 58.87 58.38 2ayr n SER 309 Cb 0.21 1.34 0.05 0.00 -0.26 0.00 0.00 64.21 65.55 2ayr n SER 309 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2ayr n LEU 310 N -2.38 5.19 -4.93 1.04 4.77 -1.04 -5.02 117.00 114.63 2ayr n LEU 310 Ca -0.02 0.93 -0.25 0.00 -0.03 0.00 0.00 56.01 56.64 2ayr n LEU 310 Cb 0.55 -1.53 0.05 0.00 -2.33 0.00 0.00 43.42 40.15 2ayr n LEU 310 CO 0.43 -0.88 0.53 0.42 -1.33 0.00 0.00 177.39 176.57 2ayr s THR 311 N -1.33 2.90 0.17 -5.08 -4.23 -1.26 -4.86 115.64 101.94 2ayr s THR 311 Ca 0.74 -0.25 -0.16 0.00 -1.18 0.00 0.00 61.69 60.84 2ayr s THR 311 Cb -0.42 -3.18 0.09 0.00 1.34 0.00 0.00 72.50 70.33 2ayr s THR 311 CO 0.48 -0.18 1.68 0.00 -0.54 0.00 0.00 174.62 176.06 2ayr h ALA 312 N -0.30 0.33 0.00 3.99 0.00 -1.94 0.17 119.26 121.51 2ayr h ALA 312 Ca -0.44 0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.53 2ayr h ALA 312 Cb 1.29 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 19.33 2ayr h ALA 312 CO 0.59 -0.42 -0.39 -0.44 0.00 0.00 0.00 179.25 178.59 2ayr h ASP 313 N 0.05 0.00 -0.29 0.00 3.32 -1.96 -1.20 116.42 116.35 2ayr h ASP 313 Ca 0.20 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 57.08 2ayr h ASP 313 Cb 0.30 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.85 2ayr h ASP 313 CO -0.38 0.39 -0.50 1.56 -1.72 0.00 0.00 179.24 178.58 2ayr h GLN 314 N 0.00 0.85 -0.13 3.56 4.20 -1.65 -1.81 115.11 120.13 2ayr h GLN 314 Ca -0.00 -0.53 0.00 0.00 0.06 0.00 0.00 58.65 58.18 2ayr h GLN 314 Cb 0.68 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.51 2ayr h GLN 314 CO 0.05 1.16 0.09 1.98 -0.67 0.00 0.00 178.83 181.44 2ayr h MET 315 N 0.63 0.17 -0.21 1.46 4.05 -0.24 -0.03 114.93 120.77 2ayr h MET 315 Ca 0.02 -0.01 0.01 0.00 -0.28 0.00 0.00 59.70 59.44 2ayr h MET 315 Cb 1.10 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.85 2ayr h MET 315 CO 0.11 0.11 0.11 0.28 0.23 0.00 0.00 176.91 177.76 2ayr h VAL 316 N 0.18 1.01 -0.86 -5.77 2.07 -1.20 -0.18 116.25 111.51 2ayr h VAL 316 Ca 0.05 -0.08 -0.02 0.00 0.82 0.00 0.00 66.70 67.47 2ayr h VAL 316 Cb -0.02 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 30.47 2ayr h VAL 316 CO -0.01 0.04 0.47 0.28 0.02 0.00 0.00 177.57 178.37 2ayr h SER 317 N 0.24 1.07 -0.56 0.57 0.02 -1.22 0.12 113.55 113.79 2ayr h SER 317 Ca 0.08 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 2ayr h SER 317 Cb 0.01 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.25 2ayr h SER 317 CO -0.05 0.86 0.35 0.00 -1.14 0.00 0.00 176.83 176.85 2ayr h ALA 318 N 1.25 0.71 -0.17 3.77 0.00 -0.53 -1.05 119.26 123.24 2ayr h ALA 318 Ca 0.30 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 55.03 2ayr h ALA 318 Cb 0.02 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.59 2ayr h ALA 318 CO -0.05 0.17 -0.37 -0.07 0.00 0.00 0.00 179.25 178.94 2ayr h LEU 319 N 0.75 0.61 -0.88 0.00 3.38 -0.56 -2.34 115.31 116.27 2ayr h LEU 319 Ca 0.20 -0.56 0.01 0.00 0.09 0.00 0.00 57.88 57.62 2ayr h LEU 319 Cb -0.04 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.49 2ayr h LEU 319 CO -0.04 1.06 0.57 -0.07 0.09 0.00 0.00 178.44 180.06 2ayr h LEU 320 N 0.19 1.02 -1.33 1.67 3.38 -0.71 -2.16 115.31 117.37 2ayr h LEU 320 Ca 0.00 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 2ayr h LEU 320 Cb 0.97 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 2ayr h LEU 320 CO 0.08 0.74 -0.29 0.44 0.09 0.00 0.00 178.44 179.51 2ayr h ASP 321 N 1.19 0.00 0.73 -0.43 5.19 -1.15 -2.83 116.42 119.13 2ayr h ASP 321 Ca 0.32 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.73 2ayr h ASP 321 Cb -0.12 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.39 2ayr h ASP 321 CO -0.07 0.29 -0.04 0.00 -3.12 0.00 0.00 179.24 176.30 2ayr n ALA 322 N -2.33 2.51 -1.71 3.45 0.00 -0.82 -4.91 120.51 116.68 2ayr n ALA 322 Ca -0.01 -0.15 -0.43 0.00 0.00 0.00 0.00 53.44 52.85 2ayr n ALA 322 Cb 0.39 -1.44 -0.02 0.00 0.00 0.00 0.00 19.45 18.38 2ayr n ALA 322 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2ayr n GLU 323 N -1.36 2.47 -1.48 0.00 -0.58 -1.07 -4.57 120.64 114.05 2ayr n GLU 323 Ca 0.11 0.88 -0.30 0.00 -0.42 0.00 0.00 57.16 57.43 2ayr n GLU 323 Cb 0.29 -2.63 0.10 0.00 -0.57 0.00 0.00 31.44 28.63 2ayr n GLU 323 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 2ayr s PRO 324 N -0.17 1.87 0.71 3.49 0.04 -1.26 -5.05 135.00 134.63 2ayr s PRO 324 Ca 0.68 0.66 -0.11 0.00 0.04 0.00 0.00 61.00 62.27 2ayr s PRO 324 Cb -0.56 -1.89 0.02 0.00 0.04 0.00 0.00 34.50 32.11 2ayr s PRO 324 CO 0.46 -1.77 1.07 -1.25 0.04 0.00 0.00 177.00 175.55 2ayr s PRO 325 N -5.12 2.79 -0.27 0.56 0.04 -1.26 -5.04 135.00 126.71 2ayr s PRO 325 Ca 0.61 0.78 -0.20 0.00 0.04 0.00 0.00 61.00 62.23 2ayr s PRO 325 Cb -0.15 -1.99 -0.02 0.00 0.04 0.00 0.00 34.50 32.39 2ayr s PRO 325 CO 0.55 -1.15 0.63 0.42 0.04 0.00 0.00 177.00 177.48 2ayr s ILE 326 N -3.13 4.97 0.40 0.56 1.01 -1.26 -5.07 121.20 118.68 2ayr s ILE 326 Ca 0.58 1.04 -0.00 0.00 0.00 0.00 0.00 60.65 62.27 2ayr s ILE 326 Cb -0.13 -3.95 -0.02 0.00 0.01 0.00 0.00 42.46 38.36 2ayr s ILE 326 CO 0.54 -0.03 0.62 -0.76 0.00 0.00 0.00 174.94 175.32 2ayr s LEU 327 N 2.54 3.83 0.06 2.97 1.43 -1.26 -5.01 118.68 123.23 2ayr s LEU 327 Ca 0.26 0.45 0.01 0.00 -1.03 0.00 0.00 54.13 53.82 2ayr s LEU 327 Cb -0.15 -3.33 -0.04 0.00 0.03 0.00 0.00 46.19 42.70 2ayr s LEU 327 CO 0.10 -0.48 0.11 -0.31 0.23 0.00 0.00 176.35 175.99 2ayr s TYR 328 N -2.46 3.29 0.52 0.29 1.51 -1.26 -4.35 117.35 114.89 2ayr s TYR 328 Ca 0.44 0.15 -0.22 0.00 -1.01 0.00 0.00 57.07 56.43 2ayr s TYR 328 Cb -0.10 -1.68 -0.06 0.00 -0.11 0.00 0.00 41.96 40.01 2ayr s TYR 328 CO 0.38 0.55 1.28 0.45 -1.11 0.00 0.00 175.55 177.10 2ayr s SER 329 N -2.27 5.59 -0.67 2.29 0.15 -1.26 -4.94 113.70 112.59 2ayr s SER 329 Ca 0.29 2.58 -0.13 0.00 0.70 0.00 0.00 55.95 59.40 2ayr s SER 329 Cb -0.12 -2.62 0.17 0.00 -1.71 0.00 0.00 66.02 61.74 2ayr s SER 329 CO 0.22 -1.34 0.59 -1.61 1.20 0.00 0.00 173.24 172.30 2ayr s GLU 330 N -2.85 3.14 0.05 5.44 2.02 -1.26 -5.00 118.70 120.23 2ayr s GLU 330 Ca 0.69 -2.14 -0.26 0.00 0.02 0.00 0.00 54.97 53.28 2ayr s GLU 330 Cb -0.36 -4.24 0.06 0.00 0.10 0.00 0.00 34.13 29.70 2ayr s GLU 330 CO 0.42 -1.28 0.61 1.52 0.02 0.00 0.00 175.26 176.56 2ayr s TYR 331 N 0.75 -0.55 -0.31 1.61 -0.85 -1.26 -4.99 117.35 111.75 2ayr s TYR 331 Ca 0.12 0.67 -0.29 0.00 -0.52 0.00 0.00 57.07 57.04 2ayr s TYR 331 Cb -0.20 0.44 -0.01 0.00 0.38 0.00 0.00 41.96 42.58 2ayr s TYR 331 CO -0.04 -0.70 1.47 0.34 -1.52 0.00 0.00 175.55 175.10 2ayr s ASP 332 N -1.95 6.43 0.46 -0.18 2.15 -1.26 -4.86 116.67 117.45 2ayr s ASP 332 Ca -0.05 1.25 0.31 0.00 0.43 0.00 0.00 52.55 54.49 2ayr s ASP 332 Cb -0.01 -2.54 1.56 0.00 -0.30 0.00 0.00 42.92 41.64 2ayr s ASP 332 CO -0.01 -1.28 1.95 -0.65 -0.17 0.00 0.00 175.17 175.01 2ayr h PRO 333 N 10.41 0.00 -0.81 4.34 0.11 -1.99 -2.83 132.00 141.23 2ayr h PRO 333 Ca -0.29 0.00 -0.35 0.00 0.11 0.00 0.00 66.00 65.46 2ayr h PRO 333 Cb 1.12 0.00 -0.21 0.00 0.11 0.00 0.00 31.00 32.02 2ayr h PRO 333 CO 1.04 0.00 0.41 0.25 -0.21 0.00 0.00 178.00 179.49 2ayr n THR 334 N -2.65 3.01 -4.16 -1.15 -2.24 -1.26 -4.94 114.28 100.89 2ayr n THR 334 Ca -0.01 -1.92 -0.12 0.00 -2.27 0.00 0.00 64.05 59.73 2ayr n THR 334 Cb 0.13 -0.41 -0.10 0.00 -2.10 0.00 0.00 70.33 67.85 2ayr n THR 334 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2ayr s ARG 335 N -3.17 0.80 0.08 -0.78 0.52 -1.07 -5.11 118.95 110.22 2ayr s ARG 335 Ca 0.54 -1.20 -0.35 0.00 -0.52 0.00 0.00 55.73 54.20 2ayr s ARG 335 Cb 0.45 -0.34 -0.15 0.00 0.52 0.00 0.00 34.95 35.44 2ayr s ARG 335 CO 0.11 0.03 1.53 -2.30 0.02 0.00 0.00 175.30 174.68 2ayr n PRO 336 N 0.36 1.71 0.01 3.54 -0.02 -1.26 -4.90 135.00 134.43 2ayr n PRO 336 Ca -0.15 0.62 -0.13 0.00 -2.02 0.00 0.00 63.50 61.82 2ayr n PRO 336 Cb 0.59 -2.34 -0.09 0.00 -0.02 0.00 0.00 33.50 31.64 2ayr n PRO 336 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 2ayr h PHE 337 N 5.79 -0.04 0.00 6.00 3.57 -1.96 -2.82 116.94 127.49 2ayr h PHE 337 Ca -0.46 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.04 2ayr h PHE 337 Cb 1.29 0.01 0.00 0.00 2.79 0.00 0.00 35.95 40.04 2ayr h PHE 337 CO 0.65 0.37 0.16 -1.13 -2.23 0.00 0.00 178.31 176.13 2ayr n SER 338 N -4.91 0.00 0.03 0.41 3.41 -1.26 0.13 113.62 111.42 2ayr n SER 338 Ca -0.08 0.26 -0.19 0.00 -0.26 0.00 0.00 58.87 58.60 2ayr n SER 338 Cb 0.22 -0.26 -0.12 0.00 -0.26 0.00 0.00 64.21 63.79 2ayr n SER 338 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2ayr h GLU 339 N 0.00 0.42 -6.98 4.33 5.08 -1.88 -3.47 114.58 112.08 2ayr h GLU 339 Ca 0.00 -0.52 -0.50 0.00 -1.00 0.00 0.00 59.36 57.33 2ayr h GLU 339 Cb 0.32 0.17 0.05 0.00 0.50 0.00 0.00 28.75 29.79 2ayr h GLU 339 CO 0.00 1.19 0.48 0.00 -1.00 0.00 0.00 179.01 179.67 2ayr s ALA 340 N -2.98 3.03 -0.25 3.43 0.00 0.12 -4.98 121.76 120.13 2ayr s ALA 340 Ca -0.13 0.90 -0.29 0.00 0.00 0.00 0.00 51.96 52.44 2ayr s ALA 340 Cb 0.03 -3.36 0.01 0.00 0.00 0.00 0.00 23.12 19.80 2ayr s ALA 340 CO 0.84 -0.56 1.09 0.45 0.00 0.00 0.00 175.76 177.59 2ayr s SER 341 N -1.35 7.02 0.14 0.00 0.15 -1.26 -4.94 113.70 113.46 2ayr s SER 341 Ca 0.61 1.33 -0.18 0.00 0.70 0.00 0.00 55.95 58.41 2ayr s SER 341 Cb -0.28 -2.54 0.01 0.00 -1.71 0.00 0.00 66.02 61.50 2ayr s SER 341 CO 0.34 -0.75 1.74 -0.03 1.20 0.00 0.00 173.24 175.74 2ayr h MET 342 N 7.80 0.17 -0.06 5.44 4.05 -1.94 0.13 114.93 130.52 2ayr h MET 342 Ca -0.21 -0.01 -0.11 0.00 -0.28 0.00 0.00 59.70 59.10 2ayr h MET 342 Cb 1.07 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.82 2ayr h MET 342 CO 0.99 0.11 -0.46 1.98 0.23 0.00 0.00 176.91 179.77 2ayr h MET 343 N 0.17 0.13 -0.55 0.39 1.85 -1.98 -1.87 114.93 113.08 2ayr h MET 343 Ca 0.12 -0.07 -0.03 0.00 -0.61 0.00 0.00 59.70 59.12 2ayr h MET 343 Cb 0.12 0.00 -0.02 0.00 0.43 0.00 0.00 31.60 32.13 2ayr h MET 343 CO -0.15 0.57 0.21 0.78 -0.40 0.00 0.00 176.91 177.91 2ayr h GLY 344 N 1.34 0.88 0.97 1.39 0.00 -1.76 -0.57 103.07 105.31 2ayr h GLY 344 Ca 0.01 -0.49 -0.07 0.00 0.00 0.00 0.00 47.33 46.78 2ayr h GLY 344 CO 0.07 0.46 0.00 1.41 0.00 0.00 0.00 176.54 178.47 2ayr h LEU 345 N 0.74 0.74 -0.45 3.11 3.38 -0.37 -2.17 115.31 120.30 2ayr h LEU 345 Ca 0.18 -0.31 -0.15 0.00 0.09 0.00 0.00 57.88 57.69 2ayr h LEU 345 Cb 0.21 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 2ayr h LEU 345 CO -0.01 0.87 -0.37 -0.07 0.09 0.00 0.00 178.44 178.94 2ayr h LEU 346 N 0.60 0.94 -0.47 1.67 3.38 -1.30 -1.99 115.31 118.14 2ayr h LEU 346 Ca 0.12 -0.42 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 2ayr h LEU 346 Cb 0.49 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 2ayr h LEU 346 CO 0.02 1.20 0.26 0.74 0.09 0.00 0.00 178.44 180.76 2ayr h THR 347 N 0.72 1.16 -0.71 0.22 2.02 -1.06 -0.07 112.91 115.18 2ayr h THR 347 Ca 0.06 -0.40 -0.05 0.00 0.77 0.00 0.00 66.41 66.79 2ayr h THR 347 Cb 0.95 0.57 -0.03 0.00 -1.74 0.00 0.00 68.15 67.91 2ayr h THR 347 CO 0.09 0.17 0.24 -1.13 0.37 0.00 0.00 175.52 175.26 2ayr h ASN 348 N 0.62 1.03 0.04 4.18 -0.73 -1.31 -0.71 115.58 118.70 2ayr h ASN 348 Ca 0.17 -0.20 -0.00 0.00 1.87 0.00 0.00 56.30 58.13 2ayr h ASN 348 Cb 0.04 -0.27 0.00 0.00 0.27 0.00 0.00 38.32 38.36 2ayr h ASN 348 CO -0.03 0.95 -0.02 0.25 -0.37 0.00 0.00 177.43 178.21 2ayr h LEU 349 N 1.04 -0.05 -0.61 0.34 5.85 -1.13 -2.40 115.31 118.35 2ayr h LEU 349 Ca 0.23 -0.14 0.05 0.00 0.84 0.00 0.00 57.88 58.86 2ayr h LEU 349 Cb 0.28 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.28 2ayr h LEU 349 CO -0.01 0.11 0.33 0.00 -0.34 0.00 0.00 178.44 178.53 2ayr h ALA 350 N 0.74 0.80 -0.72 1.25 0.00 -0.73 -0.42 119.26 120.18 2ayr h ALA 350 Ca -0.01 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2ayr h ALA 350 Cb 0.19 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 2ayr h ALA 350 CO 0.01 0.01 0.34 -0.44 0.00 0.00 0.00 179.25 179.17 2ayr h ASP 351 N 0.63 0.92 0.12 0.00 3.32 -1.06 -1.53 116.42 118.82 2ayr h ASP 351 Ca 0.27 -0.10 -0.19 0.00 0.02 0.00 0.00 57.03 57.03 2ayr h ASP 351 Cb 0.15 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.46 2ayr h ASP 351 CO -0.17 0.78 -0.70 0.03 -1.72 0.00 0.00 179.24 177.47 2ayr h ARG 352 N 1.02 0.52 -0.20 3.56 3.08 -0.88 -3.13 114.38 118.34 2ayr h ARG 352 Ca 0.25 -0.40 -0.05 0.00 0.07 0.00 0.00 59.98 59.84 2ayr h ARG 352 Cb 0.10 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 2ayr h ARG 352 CO -0.03 1.03 -0.11 0.93 -1.07 0.00 0.00 179.97 180.71 2ayr h GLU 353 N 0.37 0.33 -0.78 0.04 5.08 -0.77 -2.92 114.58 115.93 2ayr h GLU 353 Ca -0.03 -0.08 0.02 0.00 -1.00 0.00 0.00 59.36 58.28 2ayr h GLU 353 Cb 1.27 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 30.44 2ayr h GLU 353 CO 0.13 0.45 0.52 1.25 -1.00 0.00 0.00 179.01 180.35 2ayr h LEU 354 N 0.31 0.85 -0.61 1.33 5.85 -1.23 0.70 115.31 122.52 2ayr h LEU 354 Ca 0.06 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.75 2ayr h LEU 354 Cb 0.40 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 2ayr h LEU 354 CO 0.02 0.60 0.31 0.58 -0.34 0.00 0.00 178.44 179.61 2ayr h VAL 355 N 1.00 1.21 0.00 1.05 2.07 -1.61 -1.81 116.25 118.16 2ayr h VAL 355 Ca 0.30 -0.57 -0.08 0.00 0.82 0.00 0.00 66.70 67.17 2ayr h VAL 355 Cb -0.02 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.19 2ayr h VAL 355 CO -0.08 0.24 -0.39 0.45 0.02 0.00 0.00 177.57 177.80 2ayr h HIS 356 N 0.84 0.00 -0.64 1.57 3.86 -1.35 -3.01 115.15 116.42 2ayr h HIS 356 Ca 0.21 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.34 2ayr h HIS 356 Cb 0.09 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.54 2ayr h HIS 356 CO -0.00 0.39 0.07 1.98 0.86 0.00 0.00 177.93 181.23 2ayr h MET 357 N 0.00 1.07 -0.67 2.45 -1.53 -0.08 -1.46 114.93 114.71 2ayr h MET 357 Ca -0.00 -0.30 -0.02 0.00 -3.44 0.00 0.00 59.70 55.93 2ayr h MET 357 Cb 0.98 -0.12 -0.03 0.00 -0.55 0.00 0.00 31.60 31.88 2ayr h MET 357 CO 0.05 1.00 0.33 0.82 0.14 0.00 0.00 176.91 179.25 2ayr h ILE 358 N 0.99 1.22 -0.83 1.77 2.04 -1.28 0.23 117.51 121.65 2ayr h ILE 358 Ca 0.19 -0.62 -0.00 0.00 1.00 0.00 0.00 64.86 65.42 2ayr h ILE 358 Cb 0.47 0.39 -0.04 0.00 -0.74 0.00 0.00 36.82 36.91 2ayr h ILE 358 CO 0.02 0.26 0.50 0.78 0.00 0.00 0.00 178.15 179.71 2ayr h ASN 359 N 0.93 1.00 0.12 1.72 2.35 -1.49 -1.74 115.58 118.48 2ayr h ASN 359 Ca 0.23 -0.06 -0.01 0.00 -0.55 0.00 0.00 56.30 55.91 2ayr h ASN 359 Cb 0.11 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.23 2ayr h ASN 359 CO -0.03 0.77 -0.06 -0.25 -1.65 0.00 0.00 177.43 176.21 2ayr h TRP 360 N 1.15 -0.15 -0.83 1.19 7.01 -0.70 -2.95 115.95 120.67 2ayr h TRP 360 Ca 0.30 -0.00 0.10 0.00 2.11 0.00 0.00 58.89 61.40 2ayr h TRP 360 Cb -0.05 0.05 -0.07 0.00 -2.10 0.00 0.00 29.16 26.99 2ayr h TRP 360 CO -0.00 -0.02 0.47 0.00 -2.79 0.00 0.00 178.44 176.10 2ayr h ALA 361 N 0.63 1.19 0.00 2.65 0.00 -0.30 0.14 119.26 123.56 2ayr h ALA 361 Ca -0.02 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2ayr h ALA 361 Cb 0.19 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 2ayr h ALA 361 CO 0.03 0.09 -0.00 0.87 0.00 0.00 0.00 179.25 180.23 2ayr h LYS 362 N 0.78 0.00 -0.04 0.00 1.79 -1.16 -1.47 116.57 116.48 2ayr h LYS 362 Ca 0.41 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.88 2ayr h LYS 362 Cb 0.39 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.04 2ayr h LYS 362 CO -0.26 0.00 0.00 0.54 -1.08 0.00 0.00 179.45 178.66 2ayr n ARG 363 N -3.33 2.27 -2.49 3.15 1.74 0.44 -4.57 116.66 113.86 2ayr n ARG 363 Ca -0.03 -1.91 -0.43 0.00 -0.77 0.00 0.00 57.85 54.71 2ayr n ARG 363 Cb 0.09 -1.45 -0.02 0.00 -1.02 0.00 0.00 32.46 30.05 2ayr n ARG 363 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2ayr s VAL 364 N -1.95 4.35 0.03 1.55 1.01 -0.56 -4.81 120.40 120.02 2ayr s VAL 364 Ca 0.28 1.61 -0.37 0.00 0.00 0.00 0.00 61.98 63.50 2ayr s VAL 364 Cb 0.20 -4.14 -0.16 0.00 0.00 0.00 0.00 36.38 32.28 2ayr s VAL 364 CO 0.29 -0.26 1.48 -2.65 0.00 0.00 0.00 175.10 173.97 2ayr n PRO 365 N 6.74 1.37 0.00 2.72 -0.02 -1.26 -1.34 135.00 143.21 2ayr n PRO 365 Ca 0.14 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 2ayr n PRO 365 Cb 0.46 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 2ayr n PRO 365 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ayr n GLY 366 N 3.05 3.32 0.12 -1.23 0.00 -1.26 -4.94 105.19 104.26 2ayr n GLY 366 Ca 0.20 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.10 2ayr n GLY 366 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2ayr h PHE 367 N 0.00 0.34 0.00 1.61 3.57 -1.49 -2.65 116.94 118.32 2ayr h PHE 367 Ca 0.00 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.45 2ayr h PHE 367 Cb 0.00 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 38.65 2ayr h PHE 367 CO 0.00 0.48 0.00 1.33 -2.23 0.00 0.00 178.31 177.89 2ayr n VAL 368 N -4.74 0.27 0.44 1.41 0.24 -1.26 -2.02 118.33 112.67 2ayr n VAL 368 Ca -0.04 0.07 0.13 0.00 -2.04 0.00 0.00 64.34 62.45 2ayr n VAL 368 Cb 0.20 -0.69 0.45 0.00 -1.47 0.00 0.00 33.84 32.33 2ayr n VAL 368 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 2ayr h ASP 369 N 0.00 0.00 -4.38 -1.34 3.32 -1.86 -3.45 116.42 108.71 2ayr h ASP 369 Ca 0.00 0.00 -0.50 0.00 0.02 0.00 0.00 57.03 56.55 2ayr h ASP 369 Cb 0.21 0.00 0.07 0.00 0.22 0.00 0.00 39.33 39.83 2ayr h ASP 369 CO 0.00 0.00 0.41 -0.76 -1.72 0.00 0.00 179.24 177.17 2ayr s LEU 370 N -4.96 3.09 0.71 1.55 1.43 -0.85 -5.05 118.68 114.61 2ayr s LEU 370 Ca 0.06 1.27 -0.15 0.00 -1.03 0.00 0.00 54.13 54.28 2ayr s LEU 370 Cb 0.10 -4.21 0.03 0.00 0.03 0.00 0.00 46.19 42.14 2ayr s LEU 370 CO 0.52 -1.07 1.21 0.42 0.23 0.00 0.00 176.35 177.65 2ayr s THR 371 N -3.25 2.37 0.18 5.49 -4.23 -1.26 -4.81 115.64 110.12 2ayr s THR 371 Ca 0.56 0.18 -0.14 0.00 -1.18 0.00 0.00 61.69 61.12 2ayr s THR 371 Cb -0.11 -2.79 0.08 0.00 1.34 0.00 0.00 72.50 71.02 2ayr s THR 371 CO 0.53 -0.09 1.73 0.25 -0.54 0.00 0.00 174.62 176.49 2ayr h LEU 372 N -0.15 0.04 -0.71 4.79 5.85 -1.96 -0.10 115.31 123.06 2ayr h LEU 372 Ca -0.48 0.07 0.06 0.00 0.84 0.00 0.00 57.88 58.38 2ayr h LEU 372 Cb 1.30 0.09 -0.06 0.00 0.37 0.00 0.00 40.66 42.36 2ayr h LEU 372 CO 0.50 0.05 0.40 -0.74 -0.34 0.00 0.00 178.44 178.32 2ayr h HIS 373 N 0.24 0.74 -0.27 1.25 2.76 -2.00 -0.97 115.15 116.90 2ayr h HIS 373 Ca 0.22 0.03 -0.15 0.00 -2.20 0.00 0.00 60.37 58.27 2ayr h HIS 373 Cb 0.27 -0.23 -0.01 0.00 1.55 0.00 0.00 27.41 28.99 2ayr h HIS 373 CO -0.20 0.35 -0.43 -0.44 -1.30 0.00 0.00 177.93 175.90 2ayr h ASP 374 N 0.73 0.73 -0.42 3.26 3.32 -1.77 -1.69 116.42 120.57 2ayr h ASP 374 Ca 0.32 -0.34 0.02 0.00 0.02 0.00 0.00 57.03 57.05 2ayr h ASP 374 Cb 0.21 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.53 2ayr h ASP 374 CO -0.19 1.06 0.26 1.56 -1.72 0.00 0.00 179.24 180.21 2ayr h GLN 375 N 0.55 0.50 -0.57 3.56 4.20 -0.51 -0.95 115.11 121.89 2ayr h GLN 375 Ca 0.04 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.72 2ayr h GLN 375 Cb 0.97 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 28.61 2ayr h GLN 375 CO 0.09 0.33 0.37 0.28 -0.67 0.00 0.00 178.83 179.23 2ayr h VAL 376 N 0.52 1.16 -0.66 -0.54 2.07 -1.09 -2.10 116.25 115.62 2ayr h VAL 376 Ca 0.17 -0.31 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 2ayr h VAL 376 Cb -0.01 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 30.07 2ayr h VAL 376 CO -0.07 0.16 0.32 -0.74 0.02 0.00 0.00 177.57 177.26 2ayr h HIS 377 N 0.77 0.93 -0.60 1.57 -0.00 -0.89 0.13 115.15 117.07 2ayr h HIS 377 Ca 0.21 -0.04 -0.02 0.00 -0.00 0.00 0.00 60.37 60.52 2ayr h HIS 377 Cb -0.06 -0.29 -0.03 0.00 -0.00 0.00 0.00 27.41 27.03 2ayr h HIS 377 CO -0.03 0.69 0.30 -0.07 -0.00 0.00 0.00 177.93 178.83 2ayr h LEU 378 N 0.90 0.77 -0.33 0.26 3.38 -0.99 -2.28 115.31 117.02 2ayr h LEU 378 Ca 0.23 -0.12 -0.19 0.00 0.09 0.00 0.00 57.88 57.89 2ayr h LEU 378 Cb 0.10 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.66 2ayr h LEU 378 CO -0.03 0.67 -0.64 -0.07 0.09 0.00 0.00 178.44 178.46 2ayr h LEU 379 N 0.81 0.80 -1.63 1.67 3.38 -1.05 -1.91 115.31 117.37 2ayr h LEU 379 Ca 0.21 -0.47 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 2ayr h LEU 379 Cb 0.09 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 2ayr h LEU 379 CO -0.03 1.24 0.14 -0.08 0.09 0.00 0.00 178.44 179.80 2ayr h GLU 380 N 0.51 0.38 0.01 1.13 4.81 -0.64 -0.21 114.58 120.58 2ayr h GLU 380 Ca -0.01 -0.03 -0.25 0.00 -0.13 0.00 0.00 59.36 58.93 2ayr h GLU 380 Cb 1.23 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 30.49 2ayr h GLU 380 CO 0.13 0.30 -1.33 0.66 -0.73 0.00 0.00 179.01 178.04 2ayr h SER 381 N 0.39 0.03 0.00 1.04 4.64 -1.31 -3.39 113.55 114.95 2ayr h SER 381 Ca 0.10 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 2ayr h SER 381 Cb 0.03 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 2ayr h SER 381 CO -0.02 1.03 -1.09 0.00 -0.87 0.00 0.00 176.83 175.89 2ayr n ALA 382 N -2.46 4.38 -0.36 5.18 0.00 -0.73 -4.69 120.51 121.84 2ayr n ALA 382 Ca -0.08 -0.56 0.03 0.00 0.00 0.00 0.00 53.44 52.83 2ayr n ALA 382 Cb 0.99 -0.73 0.18 0.00 0.00 0.00 0.00 19.45 19.89 2ayr n ALA 382 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.50 177.61 2ayr h TRP 383 N 0.00 1.16 -0.04 0.00 5.08 -1.25 -0.94 115.95 119.96 2ayr h TRP 383 Ca 0.00 0.03 -0.20 0.00 1.08 0.00 0.00 58.89 59.80 2ayr h TRP 383 Cb 0.54 -0.38 -0.00 0.00 -3.00 0.00 0.00 29.16 26.32 2ayr h TRP 383 CO 0.00 0.58 -0.83 1.25 -1.28 0.00 0.00 178.44 178.16 2ayr h LEU 384 N 1.12 0.48 -1.13 0.11 5.85 -1.86 -1.66 115.31 118.23 2ayr h LEU 384 Ca 0.43 -0.35 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 2ayr h LEU 384 Cb 0.21 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.06 2ayr h LEU 384 CO -0.19 1.12 0.42 -0.33 -0.34 0.00 0.00 178.44 179.13 2ayr h GLU 385 N 0.24 1.02 -0.19 1.25 5.08 -1.64 -0.66 114.58 119.69 2ayr h GLU 385 Ca -0.05 -0.10 -0.07 0.00 -1.00 0.00 0.00 59.36 58.13 2ayr h GLU 385 Cb 1.44 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 30.47 2ayr h GLU 385 CO 0.14 0.74 -0.15 0.82 -1.00 0.00 0.00 179.01 179.56 2ayr h ILE 386 N 1.03 1.33 -0.74 3.13 2.04 -1.02 0.59 117.51 123.86 2ayr h ILE 386 Ca 0.26 -1.28 0.08 0.00 1.00 0.00 0.00 64.86 64.92 2ayr h ILE 386 Cb 0.00 1.74 -0.07 0.00 -0.74 0.00 0.00 36.82 37.76 2ayr h ILE 386 CO -0.05 0.39 0.40 -0.07 0.00 0.00 0.00 178.15 178.82 2ayr h LEU 387 N 0.12 0.56 -0.22 1.44 3.38 -1.18 -2.10 115.31 117.30 2ayr h LEU 387 Ca 0.04 0.05 -0.08 0.00 0.09 0.00 0.00 57.88 57.97 2ayr h LEU 387 Cb 0.68 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 2ayr h LEU 387 CO 0.04 0.33 -0.18 0.24 0.09 0.00 0.00 178.44 178.96 2ayr h MET 388 N 0.69 0.51 -0.41 1.13 2.86 -0.81 -1.51 114.93 117.39 2ayr h MET 388 Ca 0.35 -0.25 -0.09 0.00 -2.06 0.00 0.00 59.70 57.65 2ayr h MET 388 Cb 0.31 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.96 2ayr h MET 388 CO -0.24 0.83 -0.09 0.97 1.06 0.00 0.00 176.91 179.44 2ayr h ILE 389 N 0.20 1.25 -0.45 -1.22 2.10 -0.84 -0.67 117.51 117.89 2ayr h ILE 389 Ca 0.04 -1.11 0.03 0.00 1.08 0.00 0.00 64.86 64.90 2ayr h ILE 389 Cb 0.71 1.04 -0.04 0.00 -1.09 0.00 0.00 36.82 37.44 2ayr h ILE 389 CO 0.05 0.38 0.23 1.23 -1.08 0.00 0.00 178.15 178.96 2ayr h GLY 390 N 0.97 0.62 0.92 8.18 0.00 -1.30 -0.82 103.07 111.64 2ayr h GLY 390 Ca 0.12 -0.17 0.01 0.00 0.00 0.00 0.00 47.33 47.29 2ayr h GLY 390 CO 0.03 0.12 0.11 -2.00 0.00 0.00 0.00 176.54 174.81 2ayr h LEU 391 N 0.47 0.18 -0.82 3.11 5.85 -0.84 -2.03 115.31 121.23 2ayr h LEU 391 Ca 0.19 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.92 2ayr h LEU 391 Cb 0.08 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.04 2ayr h LEU 391 CO -0.12 0.13 0.53 0.58 -0.34 0.00 0.00 178.44 179.22 2ayr h VAL 392 N 0.24 1.22 -0.19 1.05 2.07 -0.93 -0.56 116.25 119.16 2ayr h VAL 392 Ca 0.09 -0.42 0.02 0.00 0.82 0.00 0.00 66.70 67.21 2ayr h VAL 392 Cb 0.01 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 29.79 2ayr h VAL 392 CO -0.05 0.21 0.06 -0.25 0.02 0.00 0.00 177.57 177.56 2ayr h TRP 393 N 1.11 0.10 0.00 1.57 2.91 -0.90 -2.53 115.95 118.21 2ayr h TRP 393 Ca 0.30 0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.33 2ayr h TRP 393 Cb -0.10 -0.02 0.00 0.00 -0.51 0.00 0.00 29.16 28.53 2ayr h TRP 393 CO -0.01 0.05 0.00 2.89 -1.03 0.00 0.00 178.44 180.34 2ayr n ARG 394 N -5.05 0.01 0.00 2.65 1.85 -0.78 -2.61 116.66 112.72 2ayr n ARG 394 Ca -0.03 0.02 0.13 0.00 -1.00 0.00 0.00 57.85 56.97 2ayr n ARG 394 Cb 0.07 -1.50 0.42 0.00 -1.05 0.00 0.00 32.46 30.40 2ayr n ARG 394 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 2ayr n SER 395 N -1.49 1.20 -0.31 2.89 7.64 -0.25 -4.53 113.62 118.76 2ayr n SER 395 Ca 0.07 -1.10 0.04 0.00 1.01 0.00 0.00 58.87 58.89 2ayr n SER 395 Cb 0.33 0.09 0.23 0.00 -1.01 0.00 0.00 64.21 63.85 2ayr n SER 395 CO 0.00 0.00 0.00 -0.03 -3.01 0.00 0.00 175.04 172.00 2ayr h MET 396 N 1.62 1.01 -1.01 1.43 4.05 -1.21 -0.21 114.93 120.61 2ayr h MET 396 Ca 0.00 -0.06 -0.50 0.00 -0.28 0.00 0.00 59.70 58.86 2ayr h MET 396 Cb 0.51 -0.23 -0.29 0.00 -0.80 0.00 0.00 31.60 30.79 2ayr h MET 396 CO 0.00 0.67 0.63 0.39 0.23 0.00 0.00 176.91 178.83 2ayr n GLU 397 N -4.49 2.20 -3.20 0.39 1.02 -1.26 -4.41 120.64 110.89 2ayr n GLU 397 Ca 0.14 -2.84 -0.23 0.00 -0.02 0.00 0.00 57.16 54.21 2ayr n GLU 397 Cb 0.20 -2.11 -0.06 0.00 -0.02 0.00 0.00 31.44 29.45 2ayr n GLU 397 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2ayr n HIS 398 N -1.02 0.46 -1.59 -0.32 8.25 -0.09 -5.11 115.22 115.80 2ayr n HIS 398 Ca 0.56 -3.72 -0.48 0.00 -0.26 0.00 0.00 57.72 53.82 2ayr n HIS 398 Cb 1.53 -0.40 -0.04 0.00 1.12 0.00 0.00 29.99 32.20 2ayr n HIS 398 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 2ayr n PRO 399 N 0.97 1.27 -0.46 -0.41 -0.04 -1.26 -0.72 135.00 134.34 2ayr n PRO 399 Ca 0.24 0.45 0.00 0.00 -0.04 0.00 0.00 63.50 64.15 2ayr n PRO 399 Cb 0.54 -1.97 0.00 0.00 -0.04 0.00 0.00 33.50 32.03 2ayr n PRO 399 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2ayr n GLY 400 N 2.03 1.75 3.15 0.55 0.00 -1.26 -5.00 105.19 106.42 2ayr n GLY 400 Ca 0.15 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.03 2ayr n GLY 400 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ayr s LYS 401 N -0.12 0.79 -0.22 1.61 1.02 0.10 -4.04 119.74 118.87 2ayr s LYS 401 Ca 0.00 -1.11 -0.03 0.00 0.02 0.00 0.00 55.97 54.85 2ayr s LYS 401 Cb 0.00 -0.45 0.00 0.00 -0.52 0.00 0.00 37.83 36.86 2ayr s LYS 401 CO 0.00 0.06 -0.06 -0.51 -0.92 0.00 0.00 175.35 173.93 2ayr s LEU 402 N -2.36 2.89 -1.26 3.17 1.43 0.94 -4.77 118.68 118.72 2ayr s LEU 402 Ca 0.03 -0.51 -0.13 0.00 -1.03 0.00 0.00 54.13 52.50 2ayr s LEU 402 Cb -0.03 -1.70 0.15 0.00 0.03 0.00 0.00 46.19 44.64 2ayr s LEU 402 CO -0.01 -0.04 1.64 -0.11 0.23 0.00 0.00 176.35 178.06 2ayr n LEU 403 N 4.76 5.68 -0.14 1.79 7.94 -1.26 -1.70 117.00 134.06 2ayr n LEU 403 Ca -0.18 -4.43 0.01 0.00 -1.11 0.00 0.00 56.01 50.30 2ayr n LEU 403 Cb 0.50 -1.60 0.28 0.00 0.53 0.00 0.00 43.42 43.13 2ayr n LEU 403 CO 0.28 0.86 1.17 -0.26 -1.11 0.00 0.00 177.39 178.33 2ayr h PHE 404 N 6.73 0.82 -3.13 1.96 0.04 -1.82 -3.44 116.94 118.10 2ayr h PHE 404 Ca 0.37 -0.00 -0.04 0.00 2.80 0.00 0.00 57.97 61.10 2ayr h PHE 404 Cb 0.79 -0.27 -0.13 0.00 2.20 0.00 0.00 35.95 38.54 2ayr h PHE 404 CO 1.20 0.55 0.04 0.00 -0.60 0.00 0.00 178.31 179.50 2ayr s ALA 405 N -5.63 -1.22 0.60 2.45 0.00 -1.07 -4.93 121.76 111.95 2ayr s ALA 405 Ca -0.10 0.26 0.30 0.00 0.00 0.00 0.00 51.96 52.42 2ayr s ALA 405 Cb 0.17 0.68 1.76 0.00 0.00 0.00 0.00 23.12 25.73 2ayr s ALA 405 CO 0.77 -0.65 2.17 -1.35 0.00 0.00 0.00 175.76 176.71 2ayr h PRO 406 N 2.36 0.00 -0.41 0.00 0.11 -1.87 0.15 132.00 132.35 2ayr h PRO 406 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 2ayr h PRO 406 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2ayr h PRO 406 CO 0.43 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.49 2ayr n ASN 407 N -3.76 4.38 -3.16 -2.05 6.94 -1.26 -4.67 115.26 111.68 2ayr n ASN 407 Ca -0.01 -2.80 -0.19 0.00 -0.02 0.00 0.00 54.58 51.57 2ayr n ASN 407 Cb 0.22 -0.55 -0.06 0.00 -2.36 0.00 0.00 39.78 37.03 2ayr n ASN 407 CO 0.00 0.00 0.00 -0.11 -1.03 0.00 0.00 177.26 176.12 2ayr n LEU 408 N 0.14 -1.48 -4.51 -4.53 7.94 0.54 -4.90 117.00 110.19 2ayr n LEU 408 Ca 0.23 -3.89 -0.38 0.00 -1.11 0.00 0.00 56.01 50.85 2ayr n LEU 408 Cb 0.92 0.63 -0.11 0.00 0.53 0.00 0.00 43.42 45.39 2ayr n LEU 408 CO 0.20 1.90 -0.19 -0.22 -1.11 0.00 0.00 177.39 177.98 2ayr s LEU 409 N 0.23 4.08 0.05 -1.96 0.20 -1.25 -2.40 118.68 117.64 2ayr s LEU 409 Ca 0.32 -0.28 0.09 0.00 0.69 0.00 0.00 54.13 54.95 2ayr s LEU 409 Cb 0.04 -2.06 -0.03 0.00 -0.43 0.00 0.00 46.19 43.71 2ayr s LEU 409 CO -0.15 -0.13 -0.25 -0.76 -0.29 0.00 0.00 176.35 174.77 2ayr s LEU 410 N 1.69 2.26 0.52 -0.68 1.43 -0.69 -4.92 118.68 118.30 2ayr s LEU 410 Ca 0.06 -0.58 0.08 0.00 -1.03 0.00 0.00 54.13 52.66 2ayr s LEU 410 Cb -0.16 -1.32 0.05 0.00 0.03 0.00 0.00 46.19 44.78 2ayr s LEU 410 CO 0.08 0.25 0.60 1.51 0.23 0.00 0.00 176.35 179.03 2ayr s ASP 411 N -1.37 5.04 0.21 2.29 1.47 -1.26 -0.04 116.67 123.01 2ayr s ASP 411 Ca 0.12 -0.89 -0.15 0.00 1.18 0.00 0.00 52.55 52.82 2ayr s ASP 411 Cb -0.10 0.09 0.23 0.00 -0.34 0.00 0.00 42.92 42.79 2ayr s ASP 411 CO 0.03 -1.11 1.61 -0.09 0.68 0.00 0.00 175.17 176.29 2ayr h ARG 412 N 0.51 -0.05 0.00 2.11 2.43 -1.96 -1.59 114.38 115.83 2ayr h ARG 412 Ca -0.35 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.83 2ayr h ARG 412 Cb 1.29 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.85 2ayr h ARG 412 CO 0.48 -0.03 0.00 -0.91 -1.51 0.00 0.00 179.97 178.00 2ayr h ASN 413 N -0.05 0.00 -0.23 -3.80 2.35 -1.95 -2.39 115.58 109.51 2ayr h ASN 413 Ca 0.30 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.05 2ayr h ASN 413 Cb 0.52 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.89 2ayr h ASN 413 CO -0.70 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.08 2ayr n GLN 414 N -2.59 1.85 0.00 0.81 6.02 -0.60 -3.09 117.38 119.79 2ayr n GLN 414 Ca 0.01 -0.96 0.08 0.00 -0.01 0.00 0.00 57.00 56.11 2ayr n GLN 414 Cb 0.23 -1.40 0.03 0.00 1.02 0.00 0.00 30.24 30.12 2ayr n GLN 414 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2ayr n GLY 415 N 0.65 0.03 0.12 1.08 0.00 -0.90 -4.55 105.19 101.63 2ayr n GLY 415 Ca 0.09 -0.44 0.13 0.00 0.00 0.00 0.00 46.02 45.79 2ayr n GLY 415 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2ayr n LYS 416 N 0.37 0.23 0.30 1.61 5.02 -1.18 -2.82 118.16 121.69 2ayr n LYS 416 Ca 0.08 0.33 0.16 0.00 -2.02 0.00 0.00 58.31 56.86 2ayr n LYS 416 Cb 0.35 -1.85 0.94 0.00 -0.02 0.00 0.00 35.03 34.45 2ayr n LYS 416 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2ayr h SER 417 N 0.00 0.00 -4.20 4.39 0.87 -1.83 -3.43 113.55 109.35 2ayr h SER 417 Ca 0.00 0.00 -0.55 0.00 -1.23 0.00 0.00 61.79 60.01 2ayr h SER 417 Cb 0.54 0.00 -0.22 0.00 -0.44 0.00 0.00 62.40 62.29 2ayr h SER 417 CO 0.00 0.03 -0.83 -0.69 -0.53 0.00 0.00 176.83 174.81 2ayr s VAL 418 N -4.40 1.69 0.19 2.23 1.01 -1.13 -5.07 120.40 114.92 2ayr s VAL 418 Ca -0.04 -1.52 -0.30 0.00 0.00 0.00 0.00 61.98 60.11 2ayr s VAL 418 Cb 0.14 -1.54 -0.09 0.00 0.00 0.00 0.00 36.38 34.89 2ayr s VAL 418 CO 0.52 -0.05 1.37 -0.70 0.00 0.00 0.00 175.10 176.24 2ayr s GLU 419 N -1.87 4.34 0.00 2.72 2.12 -1.26 -2.58 118.70 122.16 2ayr s GLU 419 Ca 0.06 2.12 0.00 0.00 0.36 0.00 0.00 54.97 57.51 2ayr s GLU 419 Cb -0.10 -3.19 0.00 0.00 0.26 0.00 0.00 34.13 31.10 2ayr s GLU 419 CO 0.04 -0.35 0.00 0.41 -0.54 0.00 0.00 175.26 174.82 2ayr n GLY 420 N 2.68 2.67 0.20 -1.50 0.00 -1.26 -4.86 105.19 103.13 2ayr n GLY 420 Ca 0.08 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.97 2ayr n GLY 420 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2ayr h MET 421 N 1.80 0.66 -0.40 1.61 -1.53 -1.70 -2.85 114.93 112.51 2ayr h MET 421 Ca 0.00 -0.32 -0.02 0.00 -3.44 0.00 0.00 59.70 55.92 2ayr h MET 421 Cb 0.00 -0.00 -0.02 0.00 -0.55 0.00 0.00 31.60 31.03 2ayr h MET 421 CO 0.00 0.93 0.18 -0.24 0.14 0.00 0.00 176.91 177.91 2ayr h VAL 422 N 0.40 1.15 -0.47 -5.77 3.04 -1.76 0.13 116.25 112.98 2ayr h VAL 422 Ca 0.05 -0.44 -0.07 0.00 -1.01 0.00 0.00 66.70 65.24 2ayr h VAL 422 Cb 0.77 0.65 -0.02 0.00 -2.01 0.00 0.00 31.29 30.68 2ayr h VAL 422 CO 0.06 0.17 0.01 -0.08 -1.01 0.00 0.00 177.57 176.72 2ayr h GLU 423 N 0.57 0.82 -0.35 4.17 4.81 -1.90 -1.13 114.58 121.56 2ayr h GLU 423 Ca 0.14 -0.26 -0.15 0.00 -0.13 0.00 0.00 59.36 58.97 2ayr h GLU 423 Cb 0.09 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 2ayr h GLU 423 CO -0.02 0.87 -0.35 0.82 -0.73 0.00 0.00 179.01 179.60 2ayr h ILE 424 N 0.68 1.28 -0.64 2.32 2.04 -1.07 -2.25 117.51 119.87 2ayr h ILE 424 Ca 0.13 -1.53 0.09 0.00 1.00 0.00 0.00 64.86 64.56 2ayr h ILE 424 Cb 0.49 1.45 -0.07 0.00 -0.74 0.00 0.00 36.82 37.95 2ayr h ILE 424 CO 0.02 0.50 0.27 -0.26 0.00 0.00 0.00 178.15 178.69 2ayr h PHE 425 N 0.66 0.47 -0.77 1.37 0.05 -0.67 0.21 116.94 118.27 2ayr h PHE 425 Ca 0.06 0.03 -0.02 0.00 3.82 0.00 0.00 57.97 61.85 2ayr h PHE 425 Cb 0.94 -0.12 -0.04 0.00 2.00 0.00 0.00 35.95 38.74 2ayr h PHE 425 CO 0.07 0.14 0.38 -0.44 -0.18 0.00 0.00 178.31 178.28 2ayr h ASP 426 N 0.47 0.98 -0.31 2.17 3.32 -1.01 0.10 116.42 122.15 2ayr h ASP 426 Ca 0.32 -0.10 -0.17 0.00 0.02 0.00 0.00 57.03 57.09 2ayr h ASP 426 Cb 0.37 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.67 2ayr h ASP 426 CO -0.29 0.82 -0.48 0.24 -1.72 0.00 0.00 179.24 177.81 2ayr h MET 427 N 1.08 0.89 -0.44 3.56 2.86 -0.78 -1.09 114.93 121.02 2ayr h MET 427 Ca 0.27 -0.52 -0.04 0.00 -2.06 0.00 0.00 59.70 57.34 2ayr h MET 427 Cb 0.09 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.78 2ayr h MET 427 CO -0.04 1.17 0.11 -0.07 1.06 0.00 0.00 176.91 179.14 2ayr h LEU 428 N 0.70 0.66 -0.95 1.22 3.38 -0.64 -1.62 115.31 118.06 2ayr h LEU 428 Ca 0.03 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 57.79 2ayr h LEU 428 Cb 1.08 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 41.61 2ayr h LEU 428 CO 0.11 0.72 0.63 -0.07 0.09 0.00 0.00 178.44 179.91 2ayr h LEU 429 N 0.58 1.10 -1.05 1.67 3.38 -0.73 -1.26 115.31 119.00 2ayr h LEU 429 Ca 0.14 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 2ayr h LEU 429 Cb 0.31 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 2ayr h LEU 429 CO 0.00 0.80 -0.00 0.00 0.09 0.00 0.00 178.44 179.32 2ayr h ALA 430 N 1.35 1.22 -0.37 1.53 0.00 -0.88 -0.73 119.26 121.37 2ayr h ALA 430 Ca 0.35 -0.24 -0.13 0.00 0.00 0.00 0.00 54.91 54.89 2ayr h ALA 430 Cb -0.14 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 2ayr h ALA 430 CO -0.07 0.52 -0.29 1.15 0.00 0.00 0.00 179.25 180.55 2ayr h THR 431 N 0.63 1.28 -0.66 0.00 2.02 -0.74 -1.44 112.91 114.00 2ayr h THR 431 Ca 0.13 -1.45 -0.02 0.00 0.77 0.00 0.00 66.41 65.83 2ayr h THR 431 Cb 0.40 1.39 -0.03 0.00 -1.74 0.00 0.00 68.15 68.17 2ayr h THR 431 CO 0.02 0.48 0.33 -1.28 0.37 0.00 0.00 175.52 175.44 2ayr h SER 432 N 0.65 0.86 -0.86 4.18 0.87 -0.97 -1.03 113.55 117.26 2ayr h SER 432 Ca 0.07 -0.12 0.04 0.00 -1.23 0.00 0.00 61.79 60.54 2ayr h SER 432 Cb 0.87 -0.22 -0.05 0.00 -0.44 0.00 0.00 62.40 62.55 2ayr h SER 432 CO 0.08 0.74 0.55 0.28 -0.53 0.00 0.00 176.83 177.95 2ayr h SER 433 N 0.91 0.91 -0.34 6.23 0.02 -0.97 -0.93 113.55 119.38 2ayr h SER 433 Ca 0.23 -0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.16 2ayr h SER 433 Cb 0.10 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.43 2ayr h SER 433 CO -0.03 0.62 0.15 -0.09 -1.14 0.00 0.00 176.83 176.34 2ayr h ARG 434 N 1.06 0.50 -0.64 3.45 9.65 -0.60 0.14 114.38 127.94 2ayr h ARG 434 Ca 0.35 -0.08 -0.01 0.00 -1.10 0.00 0.00 59.98 59.14 2ayr h ARG 434 Cb 0.02 -0.09 -0.03 0.00 -1.39 0.00 0.00 29.97 28.49 2ayr h ARG 434 CO -0.12 0.47 0.38 0.74 2.80 0.00 0.00 179.97 184.23 2ayr h PHE 435 N 0.41 0.86 -0.68 2.20 0.04 -0.90 0.16 116.94 119.02 2ayr h PHE 435 Ca 0.12 -0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.87 2ayr h PHE 435 Cb 0.14 -0.28 -0.03 0.00 2.20 0.00 0.00 35.95 37.98 2ayr h PHE 435 CO -0.01 0.59 0.39 -0.09 -0.60 0.00 0.00 178.31 178.59 2ayr h ARG 436 N 0.87 0.94 -0.25 1.51 2.43 -0.91 -0.02 114.38 118.95 2ayr h ARG 436 Ca 0.23 -0.10 -0.08 0.00 -0.81 0.00 0.00 59.98 59.22 2ayr h ARG 436 Cb -0.01 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.34 2ayr h ARG 436 CO -0.04 0.69 -0.21 1.98 -1.51 0.00 0.00 179.97 180.88 2ayr h MET 437 N 0.93 0.45 -0.00 0.20 4.05 -0.52 -1.75 114.93 118.28 2ayr h MET 437 Ca 0.24 -0.15 0.00 0.00 -0.28 0.00 0.00 59.70 59.51 2ayr h MET 437 Cb 0.01 -0.04 0.00 0.00 -0.80 0.00 0.00 31.60 30.78 2ayr h MET 437 CO -0.04 0.64 -0.21 -1.33 0.23 0.00 0.00 176.91 176.19 2ayr n MET 438 N -4.16 0.59 -3.57 0.39 2.81 0.00 -4.95 117.12 108.23 2ayr n MET 438 Ca -0.00 -0.27 -0.20 0.00 -1.81 0.00 0.00 57.70 55.42 2ayr n MET 438 Cb 0.37 -1.49 0.06 0.00 -0.71 0.00 0.00 33.22 31.45 2ayr n MET 438 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 2ayr n ASN 439 N -0.97 -2.08 -4.70 7.83 2.85 -0.12 -4.90 115.26 113.16 2ayr n ASN 439 Ca 0.12 -0.70 -0.43 0.00 -0.11 0.00 0.00 54.58 53.45 2ayr n ASN 439 Cb 0.32 -4.63 -0.02 0.00 1.24 0.00 0.00 39.78 36.68 2ayr n ASN 439 CO 0.00 0.00 0.00 -0.11 -2.11 0.00 0.00 177.26 175.04 2ayr n LEU 440 N -4.27 3.59 -4.93 1.20 7.94 -0.61 -4.99 117.00 114.94 2ayr n LEU 440 Ca -0.26 1.15 -0.28 0.00 -1.11 0.00 0.00 56.01 55.50 2ayr n LEU 440 Cb 0.66 -1.49 -0.04 0.00 0.53 0.00 0.00 43.42 43.08 2ayr n LEU 440 CO 0.65 -0.26 -0.06 -1.10 -1.11 0.00 0.00 177.39 175.51 2ayr s GLN 441 N -0.55 3.48 0.32 1.96 -1.52 -1.26 -4.98 119.66 117.11 2ayr s GLN 441 Ca 0.66 -0.43 0.06 0.00 -1.95 0.00 0.00 55.36 53.70 2ayr s GLN 441 Cb -0.59 -2.94 0.74 0.00 -0.22 0.00 0.00 33.01 30.00 2ayr s GLN 441 CO 0.50 0.51 1.82 0.78 -0.25 0.00 0.00 175.29 178.64 2ayr h GLY 442 N 2.44 1.56 1.38 3.09 0.00 -1.99 0.09 103.07 109.63 2ayr h GLY 442 Ca -0.47 -0.35 -0.11 0.00 0.00 0.00 0.00 47.33 46.40 2ayr h GLY 442 CO 0.71 0.03 -0.20 0.83 0.00 0.00 0.00 176.54 177.91 2ayr h GLU 443 N 0.78 0.72 -0.31 4.80 3.07 -1.98 -2.35 114.58 119.30 2ayr h GLU 443 Ca 0.52 -0.27 -0.12 0.00 -0.50 0.00 0.00 59.36 58.99 2ayr h GLU 443 Cb 0.79 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.65 2ayr h GLU 443 CO -0.30 0.87 -0.28 0.93 -1.40 0.00 0.00 179.01 178.83 2ayr h GLU 444 N 0.64 0.74 -0.64 2.33 5.08 -1.67 -3.02 114.58 118.04 2ayr h GLU 444 Ca 0.09 -0.38 0.06 0.00 -1.00 0.00 0.00 59.36 58.13 2ayr h GLU 444 Cb 0.69 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.89 2ayr h GLU 444 CO 0.05 1.00 0.35 0.35 -1.00 0.00 0.00 179.01 179.76 2ayr h PHE 445 N 0.50 0.63 -0.01 4.33 3.57 -0.81 -1.06 116.94 124.09 2ayr h PHE 445 Ca 0.05 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.47 2ayr h PHE 445 Cb 0.85 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.38 2ayr h PHE 445 CO 0.07 0.30 -0.50 -0.39 -2.23 0.00 0.00 178.31 175.56 2ayr h VAL 446 N 0.64 1.36 -0.37 1.41 -1.51 -1.44 -1.51 116.25 114.83 2ayr h VAL 446 Ca 0.29 -1.71 -0.04 0.00 -1.23 0.00 0.00 66.70 64.01 2ayr h VAL 446 Cb 0.19 1.91 -0.01 0.00 -2.13 0.00 0.00 31.29 31.24 2ayr h VAL 446 CO -0.18 0.49 0.08 0.00 -1.23 0.00 0.00 177.57 176.73 2ayr h LEU 448 N 0.45 1.07 -0.75 0.00 3.38 -0.79 -0.21 115.31 118.45 2ayr h LEU 448 Ca 0.12 -0.15 -0.09 0.00 0.09 0.00 0.00 57.88 57.84 2ayr h LEU 448 Cb 0.32 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 2ayr h LEU 448 CO 0.00 0.92 -0.06 0.50 0.09 0.00 0.00 178.44 179.89 2ayr h LYS 449 N 1.15 0.88 -0.37 1.13 3.64 -1.28 -1.33 116.57 120.40 2ayr h LYS 449 Ca 0.27 -0.28 -0.13 0.00 -1.27 0.00 0.00 60.65 59.24 2ayr h LYS 449 Cb 0.15 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 2ayr h LYS 449 CO -0.03 0.92 -0.28 0.77 -2.27 0.00 0.00 179.45 178.56 2ayr h SER 450 N 0.80 0.80 -0.77 4.20 0.02 -1.08 -2.25 113.55 115.28 2ayr h SER 450 Ca 0.14 -0.31 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 2ayr h SER 450 Cb 0.57 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 62.85 2ayr h SER 450 CO 0.03 1.03 0.48 0.40 -1.14 0.00 0.00 176.83 177.64 2ayr h ILE 451 N 0.67 1.21 -0.40 3.27 2.04 -0.70 -2.14 117.51 121.46 2ayr h ILE 451 Ca 0.08 -0.43 0.02 0.00 1.00 0.00 0.00 64.86 65.53 2ayr h ILE 451 Cb 0.80 0.12 -0.03 0.00 -0.74 0.00 0.00 36.82 36.97 2ayr h ILE 451 CO 0.07 0.21 0.23 0.40 0.00 0.00 0.00 178.15 179.06 2ayr h ILE 452 N 1.05 1.04 -0.85 -0.67 2.04 -1.03 0.88 117.51 119.96 2ayr h ILE 452 Ca 0.28 -0.16 0.04 0.00 1.00 0.00 0.00 64.86 66.02 2ayr h ILE 452 Cb -0.07 0.52 -0.05 0.00 -0.74 0.00 0.00 36.82 36.48 2ayr h ILE 452 CO -0.06 0.09 0.54 0.25 0.00 0.00 0.00 178.15 178.97 2ayr h LEU 453 N 0.47 0.88 0.00 1.44 5.85 -1.07 -2.01 115.31 120.87 2ayr h LEU 453 Ca 0.16 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.72 2ayr h LEU 453 Cb 0.01 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.83 2ayr h LEU 453 CO -0.08 0.59 -1.14 -0.07 -0.34 0.00 0.00 178.44 177.40 2ayr h LEU 454 N 1.02 0.00 0.02 2.25 3.38 -1.04 -3.39 115.31 117.56 2ayr h LEU 454 Ca 0.35 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.98 2ayr h LEU 454 Cb 0.07 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.76 2ayr h LEU 454 CO -0.14 0.61 -2.11 -3.20 0.09 0.00 0.00 178.44 173.70 2ayr n ASN 455 N -3.03 0.97 -0.20 -0.43 2.85 0.27 -4.29 115.26 111.40 2ayr n ASN 455 Ca -0.06 0.15 -0.02 0.00 -0.11 0.00 0.00 54.58 54.54 2ayr n ASN 455 Cb 0.83 0.10 0.19 0.00 1.24 0.00 0.00 39.78 42.14 2ayr n ASN 455 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 2ayr h SER 456 N 0.01 0.88 -0.43 1.20 0.02 -1.55 -2.53 113.55 111.15 2ayr h SER 456 Ca -0.44 -0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.41 2ayr h SER 456 Cb 2.08 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 64.39 2ayr h SER 456 CO 0.04 0.75 0.00 0.61 -1.14 0.00 0.00 176.83 177.09 2ayr n GLY 457 N -1.10 1.99 0.21 -3.77 0.00 -1.26 -4.60 105.19 96.65 2ayr n GLY 457 Ca 0.06 -0.62 0.10 0.00 0.00 0.00 0.00 46.02 45.57 2ayr n GLY 457 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2ayr h VAL 458 N 3.58 0.15 -0.02 1.61 3.04 -1.63 -2.84 116.25 120.13 2ayr h VAL 458 Ca 0.00 -1.20 0.00 0.00 -1.01 0.00 0.00 66.70 64.49 2ayr h VAL 458 Cb 0.87 2.06 0.00 0.00 -2.01 0.00 0.00 31.29 32.21 2ayr h VAL 458 CO 0.00 0.09 0.00 -1.22 -1.01 0.00 0.00 177.57 175.43 2ayr n TYR 459 N -3.12 0.01 -1.22 3.17 4.02 -1.26 -4.07 117.16 114.69 2ayr n TYR 459 Ca 0.04 -0.01 0.07 0.00 -0.01 0.00 0.00 57.90 57.99 2ayr n TYR 459 Cb 0.56 0.00 0.18 0.00 -0.02 0.00 0.00 39.34 40.06 2ayr n TYR 459 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 2ayr n THR 460 N 0.10 2.10 -2.14 -0.72 -2.24 -1.07 -5.03 114.28 105.29 2ayr n THR 460 Ca 0.19 -2.48 -0.41 0.00 -2.27 0.00 0.00 64.05 59.08 2ayr n THR 460 Cb 0.34 -0.25 -0.03 0.00 -2.10 0.00 0.00 70.33 68.29 2ayr n THR 460 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 2ayr s PHE 461 N -2.99 3.17 0.09 4.78 0.08 -1.25 -4.93 117.98 116.94 2ayr s PHE 461 Ca 0.37 1.11 -0.07 0.00 0.12 0.00 0.00 56.93 58.45 2ayr s PHE 461 Cb 0.32 -3.69 -0.21 0.00 -0.57 0.00 0.00 43.02 38.87 2ayr s PHE 461 CO 0.01 -2.24 1.20 -0.07 -0.10 0.00 0.00 175.22 174.02 2ayr h LEU 462 N 5.47 0.59-10.38 -0.37 4.07 -1.95 -3.46 115.31 109.27 2ayr h LEU 462 Ca -0.45 -0.54 -0.46 0.00 0.08 0.00 0.00 57.88 56.51 2ayr h LEU 462 Cb 1.21 -0.18 0.04 0.00 1.08 0.00 0.00 40.66 42.81 2ayr h LEU 462 CO 0.79 1.37 -0.02 -0.55 -1.08 0.00 0.00 178.44 178.95 2ayr s SER 463 N -7.20 5.75 -0.02 -0.43 0.15 -1.26 -5.02 113.70 105.67 2ayr s SER 463 Ca -0.06 0.40 0.06 0.00 0.70 0.00 0.00 55.95 57.05 2ayr s SER 463 Cb 0.07 -1.56 0.11 0.00 -1.71 0.00 0.00 66.02 62.93 2ayr s SER 463 CO 0.89 -0.81 1.05 -0.24 1.20 0.00 0.00 173.24 175.32 2ayr n SER 464 N -2.23 0.44 -4.45 5.45 2.88 -1.26 -4.91 113.62 109.55 2ayr n SER 464 Ca 0.02 -2.16 -0.29 0.00 -1.33 0.00 0.00 58.87 55.12 2ayr n SER 464 Cb 0.58 -0.25 0.24 0.00 -0.75 0.00 0.00 64.21 64.03 2ayr n SER 464 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2ayr n THR 465 N -0.10 0.00 -0.22 2.46 -2.24 -1.26 -4.72 114.28 108.20 2ayr n THR 465 Ca 0.03 -0.42 -0.00 0.00 -2.27 0.00 0.00 64.05 61.39 2ayr n THR 465 Cb 0.76 -0.94 0.11 0.00 -2.10 0.00 0.00 70.33 68.16 2ayr n THR 465 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2ayr h LEU 466 N -2.59 0.38 -0.68 3.22 5.85 -1.99 -1.64 115.31 117.85 2ayr h LEU 466 Ca -0.60 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.17 2ayr h LEU 466 Cb 1.34 -0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.33 2ayr h LEU 466 CO 0.47 0.23 0.41 0.50 -0.34 0.00 0.00 178.44 179.71 2ayr h LYS 467 N 0.53 0.93 -0.57 1.25 1.63 -1.99 -1.21 116.57 117.14 2ayr h LYS 467 Ca 0.31 -0.09 -0.06 0.00 -0.85 0.00 0.00 60.65 59.97 2ayr h LYS 467 Cb 0.31 -0.19 -0.03 0.00 -0.60 0.00 0.00 32.23 31.72 2ayr h LYS 467 CO -0.25 0.67 0.12 0.77 -3.45 0.00 0.00 179.45 177.31 2ayr h SER 468 N 0.93 0.83 -0.62 4.20 0.02 -1.78 0.90 113.55 118.04 2ayr h SER 468 Ca 0.25 -0.16 -0.05 0.00 -0.84 0.00 0.00 61.79 60.98 2ayr h SER 468 Cb -0.02 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.27 2ayr h SER 468 CO -0.05 0.82 0.18 -0.07 -1.14 0.00 0.00 176.83 176.57 2ayr h LEU 469 N 0.85 0.92 -0.89 5.07 3.38 -0.82 -0.74 115.31 123.08 2ayr h LEU 469 Ca 0.18 -0.22 -0.10 0.00 0.09 0.00 0.00 57.88 57.83 2ayr h LEU 469 Cb 0.33 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 2ayr h LEU 469 CO 0.00 0.90 -0.27 -0.33 0.09 0.00 0.00 178.44 178.83 2ayr h GLU 470 N 0.90 0.51 -0.09 1.13 5.08 -0.79 -1.52 114.58 119.79 2ayr h GLU 470 Ca 0.20 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2ayr h GLU 470 Cb 0.32 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 2ayr h GLU 470 CO -0.00 0.73 0.02 0.93 -1.00 0.00 0.00 179.01 179.69 2ayr h GLU 471 N 0.45 0.16 -0.80 2.33 4.39 -0.48 -1.71 114.58 118.91 2ayr h GLU 471 Ca 0.06 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.70 2ayr h GLU 471 Cb 0.70 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 29.30 2ayr h GLU 471 CO 0.05 0.36 0.43 0.87 -1.16 0.00 0.00 179.01 179.57 2ayr h LYS 472 N -0.07 1.12 -0.64 2.33 1.57 -1.01 -1.22 116.57 118.65 2ayr h LYS 472 Ca 0.03 -0.14 -0.02 0.00 -1.87 0.00 0.00 60.65 58.66 2ayr h LYS 472 Cb 0.28 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 2ayr h LYS 472 CO 0.00 0.83 0.34 0.22 -0.57 0.00 0.00 179.45 180.27 2ayr h ASP 473 N 1.12 0.81 -0.19 0.86 3.58 -1.19 -1.13 116.42 120.27 2ayr h ASP 473 Ca 0.28 -0.11 0.00 0.00 0.42 0.00 0.00 57.03 57.63 2ayr h ASP 473 Cb 0.04 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 40.88 2ayr h ASP 473 CO -0.04 0.69 0.13 -0.74 -2.88 0.00 0.00 179.24 176.39 2ayr h HIS 474 N 0.88 0.25 -0.67 0.28 2.76 -0.84 -0.97 115.15 116.83 2ayr h HIS 474 Ca 0.22 0.00 0.06 0.00 -2.20 0.00 0.00 60.37 58.46 2ayr h HIS 474 Cb 0.07 -0.08 -0.06 0.00 1.55 0.00 0.00 27.41 28.89 2ayr h HIS 474 CO -0.00 0.17 0.37 0.82 -1.30 0.00 0.00 177.93 177.99 2ayr h ILE 475 N 0.25 0.96 -0.15 6.26 2.04 -0.88 -0.87 117.51 125.13 2ayr h ILE 475 Ca 0.07 -0.23 -0.12 0.00 1.00 0.00 0.00 64.86 65.58 2ayr h ILE 475 Cb -0.01 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 36.27 2ayr h ILE 475 CO -0.01 0.12 -0.43 0.45 0.00 0.00 0.00 178.15 178.28 2ayr h HIS 476 N 0.68 0.41 -0.56 1.37 3.86 -0.95 -0.50 115.15 119.46 2ayr h HIS 476 Ca 0.30 -0.12 -0.10 0.00 -1.16 0.00 0.00 60.37 59.29 2ayr h HIS 476 Cb 0.19 -0.09 -0.02 0.00 1.06 0.00 0.00 27.41 28.55 2ayr h HIS 476 CO -0.08 0.72 -0.05 0.00 0.86 0.00 0.00 177.93 179.38 2ayr h ARG 477 N 0.28 1.01 -0.32 2.45 3.08 -0.72 -1.09 114.38 119.08 2ayr h ARG 477 Ca 0.02 -0.34 -0.07 0.00 0.07 0.00 0.00 59.98 59.67 2ayr h ARG 477 Cb 0.87 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.83 2ayr h ARG 477 CO 0.07 1.02 -0.06 0.28 -1.07 0.00 0.00 179.97 180.22 2ayr h VAL 478 N 0.92 1.27 -0.86 2.04 2.07 -0.90 -1.84 116.25 118.96 2ayr h VAL 478 Ca 0.15 -1.08 0.08 0.00 0.82 0.00 0.00 66.70 66.67 2ayr h VAL 478 Cb 0.60 1.33 -0.07 0.00 -1.52 0.00 0.00 31.29 31.63 2ayr h VAL 478 CO 0.04 0.35 0.52 -0.07 0.02 0.00 0.00 177.57 178.43 2ayr h LEU 479 N 0.38 0.79 -1.14 2.57 3.38 -1.03 -0.42 115.31 119.85 2ayr h LEU 479 Ca 0.08 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2ayr h LEU 479 Cb 0.54 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.12 2ayr h LEU 479 CO 0.03 0.48 0.52 0.44 0.09 0.00 0.00 178.44 179.99 2ayr h ASP 480 N 0.91 0.97 -0.79 -0.43 3.32 -0.96 -0.96 116.42 118.47 2ayr h ASP 480 Ca 0.39 -0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.40 2ayr h ASP 480 Cb 0.27 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.53 2ayr h ASP 480 CO -0.21 0.72 0.49 0.50 -1.72 0.00 0.00 179.24 179.03 2ayr h LYS 481 N 1.13 1.07 -0.13 3.56 1.63 -0.26 -1.15 116.57 122.41 2ayr h LYS 481 Ca 0.30 -0.09 -0.15 0.00 -0.85 0.00 0.00 60.65 59.86 2ayr h LYS 481 Cb -0.08 -0.23 -0.01 0.00 -0.60 0.00 0.00 32.23 31.31 2ayr h LYS 481 CO -0.06 0.74 -0.55 0.82 -3.45 0.00 0.00 179.45 176.95 2ayr h ILE 482 N 1.08 1.34 -0.44 2.00 2.04 -0.57 -1.22 117.51 121.75 2ayr h ILE 482 Ca 0.29 -1.82 -0.01 0.00 1.00 0.00 0.00 64.86 64.31 2ayr h ILE 482 Cb -0.06 1.84 -0.02 0.00 -0.74 0.00 0.00 36.82 37.84 2ayr h ILE 482 CO -0.06 0.55 0.23 0.74 0.00 0.00 0.00 178.15 179.62 2ayr h THR 483 N 0.30 1.17 -0.99 -0.27 2.02 -0.84 -0.36 112.91 113.95 2ayr h THR 483 Ca 0.01 -0.46 0.05 0.00 0.77 0.00 0.00 66.41 66.77 2ayr h THR 483 Cb 1.05 0.66 -0.06 0.00 -1.74 0.00 0.00 68.15 68.07 2ayr h THR 483 CO 0.09 0.18 0.64 0.44 0.37 0.00 0.00 175.52 177.25 2ayr h ASP 484 N 0.58 1.05 -0.42 4.18 3.32 -0.89 -1.18 116.42 123.05 2ayr h ASP 484 Ca 0.15 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.15 2ayr h ASP 484 Cb 0.09 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 2ayr h ASP 484 CO -0.02 0.69 0.03 0.74 -1.72 0.00 0.00 179.24 178.96 2ayr h THR 485 N 1.20 1.25 -0.21 0.35 2.02 -0.69 0.43 112.91 117.26 2ayr h THR 485 Ca 0.41 -0.96 0.00 0.00 0.77 0.00 0.00 66.41 66.64 2ayr h THR 485 Cb 0.09 1.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.55 2ayr h THR 485 CO -0.15 0.33 0.13 -0.07 0.37 0.00 0.00 175.52 176.13 2ayr h LEU 486 N 0.56 0.24 -0.88 2.58 3.38 -0.65 -0.73 115.31 119.81 2ayr h LEU 486 Ca 0.12 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.08 2ayr h LEU 486 Cb 0.43 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.07 2ayr h LEU 486 CO 0.01 0.20 0.58 0.40 0.09 0.00 0.00 178.44 179.72 2ayr h ILE 487 N 0.27 1.20 -0.13 1.22 1.08 -1.09 -1.93 117.51 118.14 2ayr h ILE 487 Ca 0.08 -0.40 0.01 0.00 -0.39 0.00 0.00 64.86 64.16 2ayr h ILE 487 Cb -0.01 -0.07 -0.01 0.00 -3.07 0.00 0.00 36.82 33.66 2ayr h ILE 487 CO -0.02 0.21 0.04 -0.74 -0.69 0.00 0.00 178.15 176.96 2ayr h HIS 488 N 1.17 0.07 -0.78 1.37 2.76 -0.45 0.21 115.15 119.51 2ayr h HIS 488 Ca 0.33 0.01 0.06 0.00 -2.20 0.00 0.00 60.37 58.57 2ayr h HIS 488 Cb -0.10 -0.01 -0.05 0.00 1.55 0.00 0.00 27.41 28.80 2ayr h HIS 488 CO -0.01 0.04 0.51 -0.07 -1.30 0.00 0.00 177.93 177.10 2ayr h LEU 489 N 0.10 0.75 -0.33 0.26 3.38 -0.83 -0.05 115.31 118.59 2ayr h LEU 489 Ca 0.05 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.84 2ayr h LEU 489 Cb 0.03 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 2ayr h LEU 489 CO -0.06 0.49 -0.83 0.24 0.09 0.00 0.00 178.44 178.37 2ayr h MET 490 N 0.86 0.22 -0.52 1.13 2.86 -0.85 -2.36 114.93 116.29 2ayr h MET 490 Ca 0.33 -0.23 -0.08 0.00 -2.06 0.00 0.00 59.70 57.67 2ayr h MET 490 Cb 0.21 0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.91 2ayr h MET 490 CO -0.11 0.94 0.01 0.00 1.06 0.00 0.00 176.91 178.80 2ayr h ALA 491 N 0.99 0.70 0.00 6.32 0.00 -0.22 -2.39 119.26 124.66 2ayr h ALA 491 Ca -0.04 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2ayr h ALA 491 Cb 1.44 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2ayr h ALA 491 CO 0.13 0.50 0.00 1.63 0.00 0.00 0.00 179.25 181.51 2ayr n LYS 492 N -4.31 0.30 -0.10 0.00 5.02 -0.10 -2.44 118.16 116.53 2ayr n LYS 492 Ca 0.01 0.07 0.10 0.00 -2.02 0.00 0.00 58.31 56.47 2ayr n LYS 492 Cb 0.31 -1.50 0.14 0.00 -0.02 0.00 0.00 35.03 33.97 2ayr n LYS 492 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2ayr n ALA 493 N -1.30 2.42 0.00 7.82 0.00 -0.89 -4.97 120.51 123.58 2ayr n ALA 493 Ca 0.10 -0.85 0.00 0.00 0.00 0.00 0.00 53.44 52.70 2ayr n ALA 493 Cb 0.19 -0.70 0.00 0.00 0.00 0.00 0.00 19.45 18.94 2ayr n ALA 493 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ayr n GLY 494 N 1.18 0.24 3.77 0.00 0.00 -1.02 -5.05 105.19 104.30 2ayr n GLY 494 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 2ayr n GLY 494 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ayr s LEU 495 N 0.00 4.16 1.03 0.99 1.43 -0.93 -5.00 118.68 120.36 2ayr s LEU 495 Ca 0.00 2.72 -0.13 0.00 -1.03 0.00 0.00 54.13 55.68 2ayr s LEU 495 Cb 0.00 -3.95 0.20 0.00 0.03 0.00 0.00 46.19 42.48 2ayr s LEU 495 CO 0.00 -0.98 1.10 0.42 0.23 0.00 0.00 176.35 177.12 2ayr s THR 496 N -1.26 1.96 0.14 5.49 -4.23 -1.26 -4.62 115.64 111.86 2ayr s THR 496 Ca 0.59 0.00 -0.18 0.00 -1.18 0.00 0.00 61.69 60.92 2ayr s THR 496 Cb -0.39 -2.49 -0.03 0.00 1.34 0.00 0.00 72.50 70.92 2ayr s THR 496 CO 0.50 0.00 1.76 -0.07 -0.54 0.00 0.00 174.62 176.27 2ayr h LEU 497 N -2.00 0.14 -0.59 4.79 3.38 -1.98 0.98 115.31 120.03 2ayr h LEU 497 Ca -0.54 0.02 0.03 0.00 0.09 0.00 0.00 57.88 57.48 2ayr h LEU 497 Cb 1.33 -0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.04 2ayr h LEU 497 CO 0.56 0.11 0.35 -0.61 0.09 0.00 0.00 178.44 178.94 2ayr h GLN 498 N 0.23 0.67 -0.11 1.13 4.15 -2.00 -1.09 115.11 118.10 2ayr h GLN 498 Ca 0.11 -0.04 -0.05 0.00 0.77 0.00 0.00 58.65 59.44 2ayr h GLN 498 Cb 0.06 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 27.59 2ayr h GLN 498 CO -0.10 0.45 -0.17 1.96 -1.93 0.00 0.00 178.83 179.04 2ayr h GLN 499 N 0.69 0.17 0.23 1.69 4.20 -1.82 -1.78 115.11 118.49 2ayr h GLN 499 Ca 0.24 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.90 2ayr h GLN 499 Cb 0.04 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.80 2ayr h GLN 499 CO -0.11 0.34 -0.11 1.96 -0.67 0.00 0.00 178.83 180.24 2ayr h GLN 500 N 0.16 -0.30 0.00 1.46 4.20 0.44 -1.02 115.11 120.05 2ayr h GLN 500 Ca 0.03 0.02 -0.10 0.00 0.06 0.00 0.00 58.65 58.66 2ayr h GLN 500 Cb 0.39 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.23 2ayr h GLN 500 CO 0.03 -0.06 -0.46 1.12 -0.67 0.00 0.00 178.83 178.78 2ayr h HIS 501 N -0.49 0.00 -0.35 2.96 2.07 -1.24 -1.35 115.15 116.74 2ayr h HIS 501 Ca -0.03 0.00 -0.07 0.00 -2.85 0.00 0.00 60.37 57.42 2ayr h HIS 501 Cb 0.37 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.34 2ayr h HIS 501 CO -0.01 0.46 -0.05 1.96 -3.07 0.00 0.00 177.93 177.22 2ayr h GLN 502 N 0.00 0.66 -0.20 5.12 4.20 -1.32 -2.26 115.11 121.31 2ayr h GLN 502 Ca -0.00 -0.24 -0.14 0.00 0.06 0.00 0.00 58.65 58.33 2ayr h GLN 502 Cb 1.03 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.75 2ayr h GLN 502 CO 0.06 0.80 -0.48 -0.09 -0.67 0.00 0.00 178.83 178.45 2ayr h ARG 503 N 0.46 0.52 -0.52 1.46 2.43 -0.99 -1.04 114.38 116.69 2ayr h ARG 503 Ca 0.09 -0.29 0.00 0.00 -0.81 0.00 0.00 59.98 58.97 2ayr h ARG 503 Cb 0.54 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.08 2ayr h ARG 503 CO 0.03 0.89 0.34 1.25 -1.51 0.00 0.00 179.97 180.97 2ayr h LEU 504 N 0.41 0.60 -0.36 3.80 5.85 -1.25 -1.23 115.31 123.13 2ayr h LEU 504 Ca 0.02 -0.02 -0.12 0.00 0.84 0.00 0.00 57.88 58.60 2ayr h LEU 504 Cb 1.00 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.87 2ayr h LEU 504 CO 0.09 0.44 -0.24 0.00 -0.34 0.00 0.00 178.44 178.40 2ayr h ALA 505 N 1.19 0.51 -0.64 1.25 0.00 -1.16 -1.80 119.26 118.60 2ayr h ALA 505 Ca 0.19 -0.38 0.05 0.00 0.00 0.00 0.00 54.91 54.77 2ayr h ALA 505 Cb -0.07 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.55 2ayr h ALA 505 CO -0.04 0.49 0.37 1.96 0.00 0.00 0.00 179.25 182.03 2ayr h GLN 506 N 0.58 0.67 -0.43 0.00 4.20 -1.00 -0.49 115.11 118.64 2ayr h GLN 506 Ca 0.07 -0.04 -0.09 0.00 0.06 0.00 0.00 58.65 58.65 2ayr h GLN 506 Cb 0.80 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.41 2ayr h GLN 506 CO 0.06 0.45 -0.09 -0.07 -0.67 0.00 0.00 178.83 178.52 2ayr h LEU 507 N 0.69 0.83 -0.67 1.46 3.38 -1.04 -2.92 115.31 117.05 2ayr h LEU 507 Ca 0.28 -0.35 -0.11 0.00 0.09 0.00 0.00 57.88 57.79 2ayr h LEU 507 Cb 0.13 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 2ayr h LEU 507 CO -0.16 0.99 -0.50 -0.07 0.09 0.00 0.00 178.44 178.79 2ayr h LEU 508 N 0.65 0.00 -1.01 1.67 3.38 -1.05 -2.68 115.31 116.27 2ayr h LEU 508 Ca 0.11 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.98 2ayr h LEU 508 Cb 0.62 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 2ayr h LEU 508 CO 0.04 0.50 -0.48 -0.07 0.09 0.00 0.00 178.44 178.52 2ayr h LEU 509 N 0.00 0.00 -1.71 1.67 3.38 -1.02 -2.44 115.31 115.18 2ayr h LEU 509 Ca -0.01 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 2ayr h LEU 509 Cb 1.10 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.84 2ayr h LEU 509 CO 0.07 0.48 -0.16 0.40 0.09 0.00 0.00 178.44 179.31 2ayr h ILE 510 N 0.00 1.05 0.00 1.22 2.04 -1.28 -2.42 117.51 118.12 2ayr h ILE 510 Ca -0.00 -0.56 -0.01 0.00 1.00 0.00 0.00 64.86 65.28 2ayr h ILE 510 Cb 0.88 1.31 -0.00 0.00 -0.74 0.00 0.00 36.82 38.26 2ayr h ILE 510 CO 0.06 0.16 -0.05 -0.07 0.00 0.00 0.00 178.15 178.25 2ayr h LEU 511 N 0.00 0.00 -0.69 1.44 3.38 -1.44 -1.47 115.31 116.53 2ayr h LEU 511 Ca -0.00 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 2ayr h LEU 511 Cb 0.29 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 2ayr h LEU 511 CO 0.02 0.05 0.01 0.28 0.09 0.00 0.00 178.44 178.90 2ayr h SER 512 N 0.00 0.99 -0.37 -0.43 0.02 -1.53 -1.00 113.55 111.24 2ayr h SER 512 Ca -0.00 -0.27 -0.10 0.00 -0.84 0.00 0.00 61.79 60.58 2ayr h SER 512 Cb 0.10 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.36 2ayr h SER 512 CO 0.01 1.04 -0.11 -0.74 -1.14 0.00 0.00 176.83 175.89 2ayr h HIS 513 N 0.94 0.90 -0.46 3.45 -0.00 -1.38 -1.56 115.15 117.04 2ayr h HIS 513 Ca 0.17 -0.17 -0.10 0.00 -0.00 0.00 0.00 60.37 60.27 2ayr h HIS 513 Cb 0.52 -0.23 -0.02 0.00 -0.00 0.00 0.00 27.41 27.69 2ayr h HIS 513 CO 0.04 0.88 -0.12 0.82 -0.00 0.00 0.00 177.93 179.54 2ayr h ILE 514 N 0.74 1.26 -0.51 6.26 2.04 -1.15 0.32 117.51 126.47 2ayr h ILE 514 Ca 0.12 -1.22 0.01 0.00 1.00 0.00 0.00 64.86 64.78 2ayr h ILE 514 Cb 0.60 1.04 -0.03 0.00 -0.74 0.00 0.00 36.82 37.69 2ayr h ILE 514 CO 0.04 0.42 0.32 -0.09 0.00 0.00 0.00 178.15 178.84 2ayr h ARG 515 N 0.76 0.63 -0.25 2.37 9.65 -1.01 -1.24 114.38 125.28 2ayr h ARG 515 Ca 0.12 -0.04 -0.00 0.00 -1.10 0.00 0.00 59.98 58.96 2ayr h ARG 515 Cb 0.63 -0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 29.06 2ayr h ARG 515 CO 0.04 0.42 0.15 1.25 2.80 0.00 0.00 179.97 184.64 2ayr h HIS 516 N 0.65 0.34 -0.81 2.20 2.76 -0.74 -0.67 115.15 118.87 2ayr h HIS 516 Ca 0.20 -0.00 0.03 0.00 -2.20 0.00 0.00 60.37 58.39 2ayr h HIS 516 Cb -0.03 -0.11 -0.05 0.00 1.55 0.00 0.00 27.41 28.77 2ayr h HIS 516 CO -0.05 0.25 0.52 0.52 -1.30 0.00 0.00 177.93 177.87 2ayr h MET 517 N 0.32 0.99 -0.47 5.26 2.86 -0.74 -1.20 114.93 121.95 2ayr h MET 517 Ca 0.09 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.64 2ayr h MET 517 Cb 0.02 -0.22 -0.02 0.00 0.06 0.00 0.00 31.60 31.43 2ayr h MET 517 CO -0.02 0.65 0.16 1.03 1.06 0.00 0.00 176.91 179.80 2ayr h SER 518 N 1.02 0.67 -0.36 1.22 0.87 -0.79 0.11 113.55 116.29 2ayr h SER 518 Ca 0.32 -0.19 0.03 0.00 -1.23 0.00 0.00 61.79 60.73 2ayr h SER 518 Cb -0.00 -0.17 -0.04 0.00 -0.44 0.00 0.00 62.40 61.75 2ayr h SER 518 CO -0.11 0.68 0.15 0.78 -0.53 0.00 0.00 176.83 177.80 2ayr h ASN 519 N 0.62 0.19 -0.58 6.23 2.35 -0.68 0.83 115.58 124.54 2ayr h ASN 519 Ca 0.15 0.03 -0.10 0.00 -0.55 0.00 0.00 56.30 55.83 2ayr h ASN 519 Cb 0.24 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.59 2ayr h ASN 519 CO -0.01 0.15 -0.03 0.11 -1.65 0.00 0.00 177.43 176.00 2ayr h LYS 520 N 0.31 1.03 -0.57 0.81 1.79 -0.99 -1.65 116.57 117.30 2ayr h LYS 520 Ca 0.16 -0.34 -0.01 0.00 -2.18 0.00 0.00 60.65 58.28 2ayr h LYS 520 Cb 0.11 -0.09 -0.03 0.00 -1.58 0.00 0.00 32.23 30.64 2ayr h LYS 520 CO -0.14 1.03 0.32 0.78 -1.08 0.00 0.00 179.45 180.37 2ayr h GLY 521 N 0.92 0.84 2.00 3.86 0.00 -0.65 -2.62 103.07 107.42 2ayr h GLY 521 Ca 0.16 -0.37 -0.05 0.00 0.00 0.00 0.00 47.33 47.07 2ayr h GLY 521 CO 0.03 0.36 -0.24 -0.33 0.00 0.00 0.00 176.54 176.37 2ayr h MET 522 N 0.76 0.00 -0.01 4.80 2.86 -0.53 -0.86 114.93 121.95 2ayr h MET 522 Ca 0.20 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.85 2ayr h MET 522 Cb 0.02 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.67 2ayr h MET 522 CO -0.03 0.24 -0.06 0.93 1.06 0.00 0.00 176.91 179.04 2ayr h GLU 523 N 0.00 -0.10 -0.04 1.72 5.08 -0.93 -1.35 114.58 118.96 2ayr h GLU 523 Ca -0.00 0.01 -0.19 0.00 -1.00 0.00 0.00 59.36 58.17 2ayr h GLU 523 Cb 0.48 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 2ayr h GLU 523 CO 0.03 -0.07 -0.80 0.45 -1.00 0.00 0.00 179.01 177.62 2ayr h HIS 524 N -0.10 0.47 0.00 4.33 3.86 -1.34 -2.85 115.15 119.52 2ayr h HIS 524 Ca 0.03 -0.23 -0.09 0.00 -1.16 0.00 0.00 60.37 58.92 2ayr h HIS 524 Cb 0.14 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 28.53 2ayr h HIS 524 CO -0.14 1.00 -0.44 -0.07 0.86 0.00 0.00 177.93 179.15 2ayr h LEU 525 N 0.21 0.00 -0.17 2.43 3.38 -1.10 -2.18 115.31 117.89 2ayr h LEU 525 Ca -0.04 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.72 2ayr h LEU 525 Cb 1.40 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.13 2ayr h LEU 525 CO 0.13 0.44 -0.95 0.22 0.09 0.00 0.00 178.44 178.37 2ayr h TYR 526 N 0.00 0.25 0.00 1.13 3.20 -1.19 1.65 116.97 122.02 2ayr h TYR 526 Ca -0.00 -0.15 -0.04 0.00 3.14 0.00 0.00 58.73 61.67 2ayr h TYR 526 Cb 0.78 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 39.02 2ayr h TYR 526 CO 0.00 1.02 -0.20 0.66 -1.64 0.00 0.00 178.16 177.99 2ayr h SER 527 N 0.08 0.00 0.00 -2.11 4.64 -1.33 -3.32 113.55 111.50 2ayr h SER 527 Ca -0.05 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 60.91 2ayr h SER 527 Cb 1.62 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.65 2ayr h SER 527 CO 0.14 0.20 -2.37 0.80 -0.87 0.00 0.00 176.83 174.73 2ayr n MET 528 N -3.57 0.73 -2.99 4.77 0.00 -0.83 -4.80 117.12 110.42 2ayr n MET 528 Ca -0.01 0.07 -0.44 0.00 -0.00 0.00 0.00 57.70 57.32 2ayr n MET 528 Cb 0.35 -1.50 -0.05 0.00 0.00 0.00 0.00 33.22 32.02 2ayr n MET 528 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 175.97 176.18 2ayr s LYS 529 N -2.48 3.11 -0.22 2.12 2.20 0.56 -4.82 119.74 120.21 2ayr s LYS 529 Ca -0.21 -0.94 0.17 0.00 -0.36 0.00 0.00 55.97 54.62 2ayr s LYS 529 Cb 0.07 -4.20 0.47 0.00 -1.51 0.00 0.00 37.83 32.66 2ayr s LYS 529 CO 0.69 -1.58 1.16 -1.13 -0.36 0.00 0.00 175.35 174.12 2ayr n SER 530 N 6.95 2.58 0.08 1.43 3.41 -1.26 -4.81 113.62 122.00 2ayr n SER 530 Ca -0.06 -2.83 0.07 0.00 -0.26 0.00 0.00 58.87 55.79 2ayr n SER 530 Cb 0.45 -0.41 0.32 0.00 -0.26 0.00 0.00 64.21 64.31 2ayr n SER 530 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2ayr n LYS 531 N -0.53 0.08 -3.28 4.33 5.02 -1.26 -4.88 118.16 117.64 2ayr n LYS 531 Ca 0.20 0.51 -0.29 0.00 -2.02 0.00 0.00 58.31 56.72 2ayr n LYS 531 Cb 0.90 -1.72 0.02 0.00 -0.02 0.00 0.00 35.03 34.20 2ayr n LYS 531 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2ayr n ASN 532 N -1.88 -4.36 -0.65 4.39 5.15 -1.26 -4.98 115.26 111.68 2ayr n ASN 532 Ca 0.00 -0.39 0.00 0.00 -0.60 0.00 0.00 54.58 53.59 2ayr n ASN 532 Cb 0.06 -1.33 0.00 0.00 -0.53 0.00 0.00 39.78 37.98 2ayr n ASN 532 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 2ayr n VAL 533 N -0.92 0.00 -1.68 3.44 0.31 -1.26 -5.12 118.33 113.10 2ayr n VAL 533 Ca -0.15 0.00 -0.45 0.00 -0.01 0.00 0.00 64.34 63.73 2ayr n VAL 533 Cb 0.58 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 33.47 2ayr n VAL 533 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 2ayr n VAL 534 N 0.00 0.42 -1.73 2.52 0.31 -1.26 -4.93 118.33 113.65 2ayr n VAL 534 Ca 0.00 -0.07 -0.39 0.00 -0.01 0.00 0.00 64.34 63.86 2ayr n VAL 534 Cb 0.00 -1.96 0.03 0.00 -0.91 0.00 0.00 33.84 31.00 2ayr n VAL 534 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 2ayr n PRO 535 N 5.78 1.81 -0.33 5.55 -0.04 -1.26 -4.80 135.00 141.72 2ayr n PRO 535 Ca 0.19 0.66 0.08 0.00 -0.04 0.00 0.00 63.50 64.40 2ayr n PRO 535 Cb 0.34 -2.52 0.25 0.00 -0.04 0.00 0.00 33.50 31.53 2ayr n PRO 535 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 2ayr h LEU 536 N 1.70 0.71 -0.43 1.53 5.85 -1.99 -1.00 115.31 121.68 2ayr h LEU 536 Ca -0.50 0.08 0.08 0.00 0.84 0.00 0.00 57.88 58.38 2ayr h LEU 536 Cb 1.30 -0.05 -0.07 0.00 0.37 0.00 0.00 40.66 42.21 2ayr h LEU 536 CO 0.58 0.31 -0.02 0.22 -0.34 0.00 0.00 178.44 179.20 2ayr h TYR 537 N 0.76 -0.06 -0.27 1.25 5.03 -1.96 0.23 116.97 121.96 2ayr h TYR 537 Ca 0.50 0.03 -0.09 0.00 2.58 0.00 0.00 58.73 61.75 2ayr h TYR 537 Cb 0.66 0.09 -0.01 0.00 1.55 0.00 0.00 36.73 39.01 2ayr h TYR 537 CO -0.04 -0.10 -0.22 -0.44 -1.32 0.00 0.00 178.16 176.03 2ayr h ASP 538 N 0.09 0.49 -0.26 -2.11 3.32 -1.56 0.24 116.42 116.62 2ayr h ASP 538 Ca 0.21 -0.15 -0.07 0.00 0.02 0.00 0.00 57.03 57.03 2ayr h ASP 538 Cb 0.31 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 2ayr h ASP 538 CO -0.37 0.71 -0.13 0.25 -1.72 0.00 0.00 179.24 177.98 2ayr h LEU 539 N 0.44 0.57 -0.65 1.55 6.46 -0.70 -1.61 115.31 121.37 2ayr h LEU 539 Ca 0.07 -0.41 -0.01 0.00 -0.12 0.00 0.00 57.88 57.41 2ayr h LEU 539 Cb 0.62 -0.16 -0.03 0.00 -0.73 0.00 0.00 40.66 40.36 2ayr h LEU 539 CO 0.04 0.85 0.35 -0.07 -0.62 0.00 0.00 178.44 179.00 2ayr h LEU 540 N 0.28 0.81 0.11 2.25 3.38 -0.28 -2.58 115.31 119.27 2ayr h LEU 540 Ca 0.06 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 2ayr h LEU 540 Cb 0.64 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.19 2ayr h LEU 540 CO 0.04 0.67 -0.05 0.25 0.09 0.00 0.00 178.44 179.43 2ayr h LEU 541 N 0.88 -0.12 -0.96 1.67 5.85 -0.82 0.13 115.31 121.94 2ayr h LEU 541 Ca 0.23 0.00 0.15 0.00 0.84 0.00 0.00 57.88 59.10 2ayr h LEU 541 Cb 0.04 0.03 -0.10 0.00 0.37 0.00 0.00 40.66 41.01 2ayr h LEU 541 CO -0.04 -0.08 0.57 -0.08 -0.34 0.00 0.00 178.44 178.47 2ayr h GLU 542 N -0.15 0.78 -0.03 1.25 4.57 -1.20 0.62 114.58 120.43 2ayr h GLU 542 Ca -0.01 -0.05 -0.23 0.00 -1.18 0.00 0.00 59.36 57.89 2ayr h GLU 542 Cb 0.11 -0.18 0.01 0.00 -0.16 0.00 0.00 28.75 28.53 2ayr h GLU 542 CO 0.02 0.52 -0.91 0.52 -1.18 0.00 0.00 179.01 177.98 2ayr h MET 543 N 0.80 0.49 0.07 1.92 2.86 -1.04 -3.31 114.93 116.73 2ayr h MET 543 Ca 0.52 -0.50 -0.28 0.00 -2.06 0.00 0.00 59.70 57.38 2ayr h MET 543 Cb 0.68 0.13 0.02 0.00 0.06 0.00 0.00 31.60 32.50 2ayr h MET 543 CO -0.33 1.14 -1.13 -0.07 1.06 0.00 0.00 176.91 177.57 2ayr h LEU 544 N 0.29 0.79 -6.02 1.22 3.38 0.05 -3.38 115.31 111.65 2ayr h LEU 544 Ca -0.08 -0.69 -0.72 0.00 0.09 0.00 0.00 57.88 56.48 2ayr h LEU 544 Cb 1.54 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 41.99 2ayr h LEU 544 CO 0.16 1.50 2.99 -0.67 0.09 0.00 0.00 178.44 182.51 2ayr n ASP 545 N -3.78 4.34 -4.90 -0.43 2.03 0.21 -4.95 116.55 109.07 2ayr n ASP 545 Ca -0.11 -2.87 -0.32 0.00 0.52 0.00 0.00 54.79 52.00 2ayr n ASP 545 Cb 0.93 -1.62 -0.05 0.00 -0.72 0.00 0.00 41.12 39.66 2ayr n ASP 545 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2ayr s ALA 546 N 2.65 3.88 0.76 -1.67 0.00 -1.26 -4.89 121.76 121.23 2ayr s ALA 546 Ca 0.47 -0.65 -0.11 0.00 0.00 0.00 0.00 51.96 51.66 2ayr s ALA 546 Cb 0.14 -2.01 0.05 0.00 0.00 0.00 0.00 23.12 21.29 2ayr s ALA 546 CO -0.07 0.71 1.09 -3.38 0.00 0.00 0.00 175.76 174.11 2ayr s HIS 547 N -1.49 3.00 -0.73 0.00 -3.43 -1.26 -4.99 115.29 106.39 2ayr s HIS 547 Ca 0.34 1.16 0.00 0.00 -0.80 0.00 0.00 55.06 55.77 2ayr s HIS 547 Cb -0.13 -3.07 0.37 0.00 -1.43 0.00 0.00 32.58 28.32 2ayr s HIS 547 CO 0.23 -1.55 1.74 2.89 -2.00 0.00 0.00 174.74 176.05 2ayr n ARG 548 N -3.28 3.04 0.00 -0.38 1.85 -1.26 -4.51 116.66 112.12 2ayr n ARG 548 Ca 0.07 -3.86 0.12 0.00 -1.00 0.00 0.00 57.85 53.17 2ayr n ARG 548 Cb 0.56 -2.27 0.14 0.00 -1.05 0.00 0.00 32.46 29.84 2ayr n ARG 548 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 2ayr n LEU 549 N -0.50 1.39 -0.61 2.89 4.77 -1.26 -3.75 117.00 119.93 2ayr n LEU 549 Ca 0.49 -0.48 0.07 0.00 -0.03 0.00 0.00 56.01 56.07 2ayr n LEU 549 Cb 0.36 -0.07 0.07 0.00 -2.33 0.00 0.00 43.42 41.45 2ayr n LEU 549 CO 0.46 0.27 0.50 1.41 -1.33 0.00 0.00 177.39 178.70 2ayr n HIS 550 N -0.59 0.05 0.31 -1.77 8.25 -1.26 -5.35 115.22 114.86 2ayr n HIS 550 Ca 0.09 -0.04 0.04 0.00 -0.26 0.00 0.00 57.72 57.55 2ayr n HIS 550 Cb 0.40 -0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.53 2ayr n HIS 550 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98