#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r5k h ALA 307 N 0.00 1.30 0.00 1.96 0.00 -1.97 -3.20 119.26 117.34 1r5k h ALA 307 Ca 0.00 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 1r5k h ALA 307 Cb 0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1r5k h ALA 307 CO 0.00 0.37 -0.08 -0.07 0.00 0.00 0.00 179.25 179.47 1r5k h LEU 308 N 0.00 0.00 0.00 0.00 -0.00 -1.96 -2.63 115.31 110.72 1r5k h LEU 308 Ca -0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.84 1r5k h LEU 308 Cb 0.61 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.26 1r5k h LEU 308 CO 0.04 0.08 -1.11 -1.54 -0.00 0.00 0.00 178.44 175.91 1r5k n SER 309 N -3.60 0.83 -4.58 -0.43 3.41 -1.21 -4.94 113.62 103.10 1r5k n SER 309 Ca -0.02 0.33 -0.44 0.00 -0.26 0.00 0.00 58.87 58.48 1r5k n SER 309 Cb 0.20 0.44 -0.01 0.00 -0.26 0.00 0.00 64.21 64.59 1r5k n SER 309 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1r5k n LEU 310 N -2.70 1.72 -4.94 1.04 4.77 -1.00 -5.00 117.00 110.89 1r5k n LEU 310 Ca -0.02 1.12 -0.28 0.00 -0.03 0.00 0.00 56.01 56.80 1r5k n LEU 310 Cb 0.61 -1.28 0.14 0.00 -2.33 0.00 0.00 43.42 40.56 1r5k n LEU 310 CO 0.41 -1.61 0.78 0.42 -1.33 0.00 0.00 177.39 176.05 1r5k s THR 311 N -1.15 2.06 0.09 -5.08 -4.23 -1.26 -4.87 115.64 101.19 1r5k s THR 311 Ca 0.60 -0.14 -0.21 0.00 -1.18 0.00 0.00 61.69 60.76 1r5k s THR 311 Cb -0.66 -2.92 -0.11 0.00 1.34 0.00 0.00 72.50 70.14 1r5k s THR 311 CO 0.59 0.00 1.68 0.00 -0.54 0.00 0.00 174.62 176.35 1r5k h ALA 312 N -1.23 0.15 -0.84 3.99 0.00 -1.94 -1.73 119.26 117.66 1r5k h ALA 312 Ca -0.43 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 54.47 1r5k h ALA 312 Cb 1.26 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.96 1r5k h ALA 312 CO 0.45 -0.31 0.55 -0.44 0.00 0.00 0.00 179.25 179.51 1r5k h ASP 313 N 0.09 0.86 -0.21 0.00 3.32 -1.95 -1.91 116.42 116.61 1r5k h ASP 313 Ca 0.04 -0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.95 1r5k h ASP 313 Cb 0.09 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 1r5k h ASP 313 CO -0.01 0.57 -0.38 1.56 -1.72 0.00 0.00 179.24 179.26 1r5k h GLN 314 N 0.98 0.74 0.42 3.56 4.20 -1.87 -2.16 115.11 120.99 1r5k h GLN 314 Ca 0.35 -0.38 -0.02 0.00 0.06 0.00 0.00 58.65 58.66 1r5k h GLN 314 Cb 0.12 0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.91 1r5k h GLN 314 CO -0.11 1.00 -0.20 1.98 -0.67 0.00 0.00 178.83 180.82 1r5k h MET 315 N 0.61 -0.54 -0.52 1.46 4.05 -0.57 -0.36 114.93 119.05 1r5k h MET 315 Ca 0.05 0.04 0.10 0.00 -0.28 0.00 0.00 59.70 59.62 1r5k h MET 315 Cb 0.93 0.12 -0.10 0.00 -0.80 0.00 0.00 31.60 31.75 1r5k h MET 315 CO 0.08 -0.31 -0.17 0.28 0.23 0.00 0.00 176.91 177.02 1r5k h VAL 316 N -0.64 0.41 -0.89 -5.77 2.07 -1.44 -0.07 116.25 109.92 1r5k h VAL 316 Ca -0.06 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.47 1r5k h VAL 316 Cb 0.47 0.41 -0.04 0.00 -1.52 0.00 0.00 31.29 30.61 1r5k h VAL 316 CO 0.09 0.00 0.57 0.28 0.02 0.00 0.00 177.57 178.53 1r5k h SER 317 N -0.05 1.03 -0.32 0.57 0.02 -0.99 0.20 113.55 114.02 1r5k h SER 317 Ca 0.25 -0.04 -0.11 0.00 -0.84 0.00 0.00 61.79 61.05 1r5k h SER 317 Cb 0.43 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 1r5k h SER 317 CO -0.56 0.76 -0.23 0.00 -1.14 0.00 0.00 176.83 175.67 1r5k h ALA 318 N 1.42 0.46 -0.08 3.77 0.00 -0.29 -1.09 119.26 123.45 1r5k h ALA 318 Ca 0.32 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1r5k h ALA 318 Cb -0.11 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 1r5k h ALA 318 CO -0.07 0.43 0.02 -0.07 0.00 0.00 0.00 179.25 179.57 1r5k h LEU 319 N 0.49 0.11 -1.05 0.00 4.07 -0.08 -0.73 115.31 118.13 1r5k h LEU 319 Ca 0.06 -0.21 -0.02 0.00 0.08 0.00 0.00 57.88 57.79 1r5k h LEU 319 Cb 0.78 -0.03 -0.04 0.00 1.08 0.00 0.00 40.66 42.45 1r5k h LEU 319 CO 0.06 0.30 0.39 -0.07 -1.08 0.00 0.00 178.44 178.04 1r5k h LEU 320 N -0.07 0.95 -1.27 1.67 3.38 -0.64 -1.80 115.31 117.53 1r5k h LEU 320 Ca 0.02 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 1r5k h LEU 320 Cb 0.22 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 1r5k h LEU 320 CO -0.00 0.79 -0.12 0.44 0.09 0.00 0.00 178.44 179.64 1r5k h ASP 321 N 1.06 0.00 1.51 -0.43 3.32 -0.95 -3.09 116.42 117.85 1r5k h ASP 321 Ca 0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.32 1r5k h ASP 321 Cb 0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.61 1r5k h ASP 321 CO -0.04 0.12 0.00 0.00 -1.72 0.00 0.00 179.24 177.60 1r5k h ALA 322 N 1.88 1.00 -2.58 3.45 0.00 -0.22 -3.47 119.26 119.32 1r5k h ALA 322 Ca -0.00 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.35 1r5k h ALA 322 Cb 0.63 0.00 0.09 0.00 0.00 0.00 0.00 17.79 18.51 1r5k h ALA 322 CO 0.02 0.00 0.72 0.39 0.00 0.00 0.00 179.25 180.38 1r5k n GLU 323 N -2.93 2.37 -1.54 0.00 -0.58 -1.17 -4.74 120.64 112.06 1r5k n GLU 323 Ca 0.03 0.84 -0.30 0.00 -0.42 0.00 0.00 57.16 57.31 1r5k n GLU 323 Cb 0.42 -2.55 0.10 0.00 -0.57 0.00 0.00 31.44 28.84 1r5k n GLU 323 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 1r5k s PRO 324 N -0.74 1.91 1.26 3.49 0.04 -1.26 -5.03 135.00 134.66 1r5k s PRO 324 Ca 0.64 0.59 -0.19 0.00 0.04 0.00 0.00 61.00 62.08 1r5k s PRO 324 Cb -0.56 -1.90 0.31 0.00 0.04 0.00 0.00 34.50 32.38 1r5k s PRO 324 CO 0.52 -1.73 1.04 -1.25 0.04 0.00 0.00 177.00 175.61 1r5k s PRO 325 N -5.17 -1.66 -0.15 0.56 0.04 -1.26 -5.01 135.00 122.36 1r5k s PRO 325 Ca 0.61 0.14 -0.06 0.00 0.04 0.00 0.00 61.00 61.74 1r5k s PRO 325 Cb -0.15 -1.53 -0.04 0.00 0.04 0.00 0.00 34.50 32.83 1r5k s PRO 325 CO 0.54 -4.04 0.06 -1.50 0.04 0.00 0.00 177.00 172.10 1r5k s ILE 326 N -2.70 4.76 0.04 0.56 1.10 -1.26 -5.08 121.20 118.62 1r5k s ILE 326 Ca 0.69 -0.06 -0.00 0.00 -0.51 0.00 0.00 60.65 60.78 1r5k s ILE 326 Cb -0.13 -3.10 -0.04 0.00 0.15 0.00 0.00 42.46 39.34 1r5k s ILE 326 CO 0.58 0.52 0.17 -0.76 -2.11 0.00 0.00 174.94 173.33 1r5k s LEU 327 N -0.11 4.23 0.38 8.50 1.43 -1.26 -5.06 118.68 126.78 1r5k s LEU 327 Ca 0.07 0.23 0.07 0.00 -1.03 0.00 0.00 54.13 53.47 1r5k s LEU 327 Cb -0.12 -2.73 -0.01 0.00 0.03 0.00 0.00 46.19 43.37 1r5k s LEU 327 CO 0.01 0.20 0.47 -0.31 0.23 0.00 0.00 176.35 176.96 1r5k s TYR 328 N -1.41 2.92 0.00 0.29 2.02 -1.26 -4.37 117.35 115.53 1r5k s TYR 328 Ca 0.31 -0.33 0.00 0.00 -0.37 0.00 0.00 57.07 56.68 1r5k s TYR 328 Cb -0.13 -2.14 0.00 0.00 -0.40 0.00 0.00 41.96 39.29 1r5k s TYR 328 CO 0.23 -0.16 0.00 0.45 -1.57 0.00 0.00 175.55 174.51 1r5k n SER 329 N -1.67 0.00 -4.26 2.29 2.88 -1.26 -4.97 113.62 106.62 1r5k n SER 329 Ca 0.03 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.25 1r5k n SER 329 Cb 0.59 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.89 1r5k n SER 329 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1r5k s GLU 330 N 3.00 3.18 0.47 -1.46 0.41 -1.26 -5.05 118.70 117.98 1r5k s GLU 330 Ca 0.00 -0.79 -0.07 0.00 -0.41 0.00 0.00 54.97 53.69 1r5k s GLU 330 Cb 0.00 -2.48 0.12 0.00 -1.78 0.00 0.00 34.13 29.99 1r5k s GLU 330 CO 0.00 0.13 0.26 0.66 -0.49 0.00 0.00 175.26 175.82 1r5k n TYR 331 N 3.71 -2.35 -3.10 1.61 4.01 -1.26 -5.02 117.16 114.76 1r5k n TYR 331 Ca -0.19 -0.22 0.00 0.00 -0.16 0.00 0.00 57.90 57.33 1r5k n TYR 331 Cb 0.52 -0.44 0.00 0.00 -0.31 0.00 0.00 39.34 39.12 1r5k n TYR 331 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1r5k n ASP 332 N -3.35 0.00 0.00 7.72 8.00 -1.26 -5.16 116.55 122.49 1r5k n ASP 332 Ca 0.04 -0.97 0.00 0.00 0.71 0.00 0.00 54.79 54.57 1r5k n ASP 332 Cb 0.18 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.28 1r5k n ASP 332 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1r5k n PHE 337 N 0.00 0.00 0.00 1.24 3.01 -1.26 -5.32 117.46 115.14 1r5k n PHE 337 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1r5k n PHE 337 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 1r5k n PHE 337 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1r5k n SER 338 N 0.00 0.00 0.14 4.37 2.88 -1.26 -4.94 113.62 114.80 1r5k n SER 338 Ca 0.00 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.41 1r5k n SER 338 Cb 0.00 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.39 1r5k n SER 338 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 1r5k h GLU 339 N 0.00 -0.34 -0.46 -1.46 4.81 -1.98 0.18 114.58 115.32 1r5k h GLU 339 Ca 0.00 0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.18 1r5k h GLU 339 Cb 0.00 0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 1r5k h GLU 339 CO 0.00 -0.23 -0.01 0.00 -0.73 0.00 0.00 179.01 178.04 1r5k h ALA 340 N 0.42 0.62 -0.45 2.92 0.00 -1.96 -1.68 119.26 119.14 1r5k h ALA 340 Ca -0.01 -0.28 0.03 0.00 0.00 0.00 0.00 54.91 54.65 1r5k h ALA 340 Cb 0.32 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1r5k h ALA 340 CO -0.01 0.43 0.24 1.03 0.00 0.00 0.00 179.25 180.94 1r5k h SER 341 N 0.67 0.37 -0.44 0.00 0.87 -1.88 -0.67 113.55 112.47 1r5k h SER 341 Ca 0.13 0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.68 1r5k h SER 341 Cb 0.52 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.40 1r5k h SER 341 CO 0.03 0.26 0.19 -0.03 -0.53 0.00 0.00 176.83 176.74 1r5k h MET 342 N 0.48 0.65 0.00 2.24 -1.53 -0.40 -2.52 114.93 113.84 1r5k h MET 342 Ca 0.19 -0.11 -0.05 0.00 -3.44 0.00 0.00 59.70 56.28 1r5k h MET 342 Cb 0.06 -0.11 -0.01 0.00 -0.55 0.00 0.00 31.60 31.00 1r5k h MET 342 CO -0.11 0.59 -0.25 0.52 0.14 0.00 0.00 176.91 177.79 1r5k h MET 343 N 0.57 0.00 0.45 0.39 2.86 -1.11 -2.13 114.93 115.95 1r5k h MET 343 Ca 0.15 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.77 1r5k h MET 343 Cb 0.17 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.84 1r5k h MET 343 CO -0.01 0.25 -0.22 0.78 1.06 0.00 0.00 176.91 178.77 1r5k h GLY 344 N 2.26 -0.63 -0.35 8.32 0.00 -0.92 -0.31 103.07 111.44 1r5k h GLY 344 Ca -0.00 0.23 0.04 0.00 0.00 0.00 0.00 47.33 47.61 1r5k h GLY 344 CO 0.03 -0.23 -0.55 1.41 0.00 0.00 0.00 176.54 177.21 1r5k h LEU 345 N -0.82 -1.81 -0.87 3.11 3.38 -1.29 -1.94 115.31 115.08 1r5k h LEU 345 Ca -0.06 0.23 -0.09 0.00 0.09 0.00 0.00 57.88 58.05 1r5k h LEU 345 Cb 0.56 0.73 -0.02 0.00 0.09 0.00 0.00 40.66 42.02 1r5k h LEU 345 CO 0.10 -0.41 -0.14 -0.07 0.09 0.00 0.00 178.44 178.01 1r5k h LEU 346 N -0.42 0.67 -0.50 1.67 3.38 -1.42 -2.46 115.31 116.23 1r5k h LEU 346 Ca 0.06 -0.20 -0.10 0.00 0.09 0.00 0.00 57.88 57.73 1r5k h LEU 346 Cb 0.60 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 1r5k h LEU 346 CO -0.56 0.84 -0.07 0.74 0.09 0.00 0.00 178.44 179.48 1r5k h THR 347 N 0.62 1.27 -0.54 0.22 2.02 -0.91 -0.58 112.91 115.01 1r5k h THR 347 Ca 0.10 -1.20 0.05 0.00 0.77 0.00 0.00 66.41 66.13 1r5k h THR 347 Cb 0.60 1.02 -0.05 0.00 -1.74 0.00 0.00 68.15 67.98 1r5k h THR 347 CO 0.04 0.42 0.28 -1.13 0.37 0.00 0.00 175.52 175.49 1r5k h ASN 348 N 0.80 0.40 -0.30 4.18 -0.00 -1.15 -0.19 115.58 119.32 1r5k h ASN 348 Ca 0.13 0.03 -0.15 0.00 -0.00 0.00 0.00 56.30 56.31 1r5k h ASN 348 Cb 0.62 -0.04 -0.00 0.00 -0.00 0.00 0.00 38.32 38.89 1r5k h ASN 348 CO 0.04 0.27 -0.41 0.25 -0.00 0.00 0.00 177.43 177.58 1r5k h LEU 349 N 0.53 0.87 -0.35 0.34 5.85 -1.32 -1.51 115.31 119.73 1r5k h LEU 349 Ca 0.24 -0.50 -0.01 0.00 0.84 0.00 0.00 57.88 58.45 1r5k h LEU 349 Cb 0.15 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 1r5k h LEU 349 CO -0.16 1.20 0.17 0.00 -0.34 0.00 0.00 178.44 179.31 1r5k h ALA 350 N 0.70 0.45 -0.73 1.25 0.00 -0.93 0.25 119.26 120.24 1r5k h ALA 350 Ca 0.03 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1r5k h ALA 350 Cb 1.00 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 1r5k h ALA 350 CO 0.10 0.00 0.28 -0.44 0.00 0.00 0.00 179.25 179.19 1r5k h ASP 351 N 0.43 1.02 -0.44 0.00 3.45 -0.89 0.23 116.42 120.22 1r5k h ASP 351 Ca 0.12 -0.18 -0.08 0.00 0.43 0.00 0.00 57.03 57.32 1r5k h ASP 351 Cb 0.10 -0.27 -0.01 0.00 -0.56 0.00 0.00 39.33 38.59 1r5k h ASP 351 CO -0.02 0.92 -0.05 0.03 -1.57 0.00 0.00 179.24 178.55 1r5k h ARG 352 N 1.06 0.82 -0.51 3.56 3.08 -1.09 -2.38 114.38 118.91 1r5k h ARG 352 Ca 0.24 -0.29 0.07 0.00 0.07 0.00 0.00 59.98 60.08 1r5k h ARG 352 Cb 0.23 -0.06 -0.06 0.00 0.08 0.00 0.00 29.97 30.16 1r5k h ARG 352 CO -0.02 0.91 0.18 1.49 -1.07 0.00 0.00 179.97 181.46 1r5k h GLU 353 N 0.65 0.34 -0.63 0.04 4.57 -0.41 -2.71 114.58 116.43 1r5k h GLU 353 Ca 0.12 -0.02 0.04 0.00 -1.18 0.00 0.00 59.36 58.32 1r5k h GLU 353 Cb 0.57 -0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 29.04 1r5k h GLU 353 CO 0.03 0.23 0.37 1.25 -1.18 0.00 0.00 179.01 179.72 1r5k h LEU 354 N 0.36 0.59 -1.30 1.64 5.85 -0.29 0.45 115.31 122.61 1r5k h LEU 354 Ca 0.25 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.96 1r5k h LEU 354 Cb 0.28 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 1r5k h LEU 354 CO -0.26 0.41 0.24 0.58 -0.34 0.00 0.00 178.44 179.07 1r5k h VAL 355 N 0.72 1.18 0.00 1.05 2.07 -1.13 -0.94 116.25 119.19 1r5k h VAL 355 Ca 0.26 -0.50 -0.11 0.00 0.82 0.00 0.00 66.70 67.18 1r5k h VAL 355 Cb 0.07 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 1r5k h VAL 355 CO -0.13 0.21 -0.51 0.45 0.02 0.00 0.00 177.57 177.61 1r5k h HIS 356 N 0.72 0.00 -0.33 1.57 3.86 -1.02 -3.21 115.15 116.74 1r5k h HIS 356 Ca 0.18 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.29 1r5k h HIS 356 Cb 0.09 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.54 1r5k h HIS 356 CO 0.01 0.51 -0.21 1.98 0.86 0.00 0.00 177.93 181.07 1r5k h MET 357 N 0.00 0.63 -0.32 2.45 -1.53 0.45 -1.81 114.93 114.79 1r5k h MET 357 Ca -0.01 -0.23 0.05 0.00 -3.44 0.00 0.00 59.70 56.07 1r5k h MET 357 Cb 1.00 -0.04 -0.05 0.00 -0.55 0.00 0.00 31.60 31.97 1r5k h MET 357 CO 0.07 0.79 0.04 0.82 0.14 0.00 0.00 176.91 178.77 1r5k h ILE 358 N 0.55 0.81 0.00 1.77 2.04 -1.47 0.13 117.51 121.35 1r5k h ILE 358 Ca 0.08 -0.05 -0.09 0.00 1.00 0.00 0.00 64.86 65.80 1r5k h ILE 358 Cb 0.67 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 37.39 1r5k h ILE 358 CO 0.05 0.03 -0.43 0.78 0.00 0.00 0.00 178.15 178.57 1r5k h ASN 359 N 0.14 0.00 -0.07 1.72 -0.26 -1.61 -2.24 115.58 113.26 1r5k h ASN 359 Ca 0.15 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.88 1r5k h ASN 359 Cb 0.18 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.44 1r5k h ASN 359 CO -0.22 0.43 -0.01 -0.25 -1.06 0.00 0.00 177.43 176.32 1r5k h TRP 360 N 0.00 0.15 -0.94 1.19 7.01 -0.83 -3.24 115.95 119.30 1r5k h TRP 360 Ca -0.00 -0.03 0.04 0.00 2.11 0.00 0.00 58.89 61.00 1r5k h TRP 360 Cb 0.98 -0.04 -0.06 0.00 -2.10 0.00 0.00 29.16 27.94 1r5k h TRP 360 CO 0.00 0.45 0.61 0.00 -2.79 0.00 0.00 178.44 176.71 1r5k h ALA 361 N 0.68 1.25 -0.07 2.65 0.00 -0.27 0.13 119.26 123.63 1r5k h ALA 361 Ca 0.02 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1r5k h ALA 361 Cb 0.40 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1r5k h ALA 361 CO 0.01 0.46 0.13 0.87 0.00 0.00 0.00 179.25 180.72 1r5k h LYS 362 N 1.16 0.00 -0.06 0.00 1.57 -1.44 -1.68 116.57 116.11 1r5k h LYS 362 Ca 0.38 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.16 1r5k h LYS 362 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.34 1r5k h LYS 362 CO -0.13 0.00 0.00 0.54 -0.57 0.00 0.00 179.45 179.29 1r5k n ARG 363 N -3.42 2.35 -2.49 3.15 1.74 0.43 -4.58 116.66 113.84 1r5k n ARG 363 Ca -0.01 -1.96 -0.43 0.00 -0.77 0.00 0.00 57.85 54.68 1r5k n ARG 363 Cb 0.22 -1.47 -0.02 0.00 -1.02 0.00 0.00 32.46 30.17 1r5k n ARG 363 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1r5k s VAL 364 N -1.95 4.37 -0.06 1.55 1.01 -0.63 -4.84 120.40 119.84 1r5k s VAL 364 Ca 0.29 1.67 -0.36 0.00 0.00 0.00 0.00 61.98 63.57 1r5k s VAL 364 Cb 0.20 -4.07 -0.14 0.00 0.00 0.00 0.00 36.38 32.36 1r5k s VAL 364 CO 0.30 -0.06 1.66 -2.65 0.00 0.00 0.00 175.10 174.35 1r5k n PRO 365 N 5.74 1.64 0.00 2.72 -0.02 -1.26 -1.74 135.00 142.08 1r5k n PRO 365 Ca 0.12 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 1r5k n PRO 365 Cb 0.46 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 1r5k n PRO 365 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1r5k n GLY 366 N 3.73 2.52 0.20 -1.23 0.00 -1.26 -4.92 105.19 104.23 1r5k n GLY 366 Ca 0.22 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.16 1r5k n GLY 366 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1r5k h PHE 367 N 0.00 0.61 0.00 1.61 3.57 -1.62 -2.63 116.94 118.48 1r5k h PHE 367 Ca 0.00 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.48 1r5k h PHE 367 Cb 0.00 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 38.55 1r5k h PHE 367 CO 0.00 0.47 0.00 1.55 -2.23 0.00 0.00 178.31 178.10 1r5k n VAL 368 N -4.69 0.59 0.32 1.41 3.14 -1.26 -1.64 118.33 116.19 1r5k n VAL 368 Ca 0.01 -0.18 0.15 0.00 -2.96 0.00 0.00 64.34 61.36 1r5k n VAL 368 Cb 0.09 -0.67 0.66 0.00 -1.06 0.00 0.00 33.84 32.85 1r5k n VAL 368 CO 0.00 0.00 0.00 0.44 -6.46 0.00 0.00 176.83 170.81 1r5k h ASP 369 N 0.00 0.00 -4.33 6.55 3.32 -1.85 -3.45 116.42 116.66 1r5k h ASP 369 Ca 0.00 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.54 1r5k h ASP 369 Cb 0.66 0.00 0.10 0.00 0.22 0.00 0.00 39.33 40.31 1r5k h ASP 369 CO 0.00 0.00 0.37 -0.76 -1.72 0.00 0.00 179.24 177.13 1r5k s LEU 370 N -5.27 3.02 0.78 1.55 1.02 -0.65 -5.02 118.68 114.10 1r5k s LEU 370 Ca 0.01 1.54 -0.11 0.00 0.02 0.00 0.00 54.13 55.59 1r5k s LEU 370 Cb 0.09 -4.36 0.06 0.00 0.02 0.00 0.00 46.19 42.00 1r5k s LEU 370 CO 0.42 -1.53 1.11 0.42 0.02 0.00 0.00 176.35 176.79 1r5k s THR 371 N -3.08 3.02 0.26 5.49 -4.23 -1.26 -4.82 115.64 111.03 1r5k s THR 371 Ca 0.58 0.36 -0.03 0.00 -1.18 0.00 0.00 61.69 61.43 1r5k s THR 371 Cb -0.14 -2.77 0.14 0.00 1.34 0.00 0.00 72.50 71.07 1r5k s THR 371 CO 0.55 -0.41 1.79 0.25 -0.54 0.00 0.00 174.62 176.26 1r5k h LEU 372 N -1.06 0.83 -1.47 4.79 5.85 -1.95 -0.93 115.31 121.37 1r5k h LEU 372 Ca -0.44 -0.16 -0.05 0.00 0.84 0.00 0.00 57.88 58.06 1r5k h LEU 372 Cb 1.24 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.05 1r5k h LEU 372 CO 0.50 0.83 -0.26 -0.74 -0.34 0.00 0.00 178.44 178.43 1r5k h HIS 373 N 0.85 0.00 0.00 1.25 2.76 -2.00 -2.29 115.15 115.72 1r5k h HIS 373 Ca 0.18 0.00 -0.16 0.00 -2.20 0.00 0.00 60.37 58.19 1r5k h HIS 373 Cb 0.34 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.27 1r5k h HIS 373 CO 0.02 0.26 -0.89 -0.44 -1.30 0.00 0.00 177.93 175.58 1r5k h ASP 374 N 0.00 0.00 -0.42 3.26 3.45 -1.65 -2.38 116.42 118.68 1r5k h ASP 374 Ca -0.00 0.00 -0.14 0.00 0.43 0.00 0.00 57.03 57.32 1r5k h ASP 374 Cb 0.54 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.30 1r5k h ASP 374 CO 0.03 0.69 -0.28 1.56 -1.57 0.00 0.00 179.24 179.68 1r5k h GLN 375 N 0.00 0.93 -0.19 3.56 4.20 -0.76 -1.61 115.11 121.24 1r5k h GLN 375 Ca -0.06 -0.44 -0.12 0.00 0.06 0.00 0.00 58.65 58.09 1r5k h GLN 375 Cb 1.57 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 29.33 1r5k h GLN 375 CO 0.08 1.09 -0.41 0.28 -0.67 0.00 0.00 178.83 179.20 1r5k h VAL 376 N 0.75 1.31 -0.49 -0.54 2.07 -1.40 -1.86 116.25 116.09 1r5k h VAL 376 Ca 0.08 -1.56 -0.07 0.00 0.82 0.00 0.00 66.70 65.97 1r5k h VAL 376 Cb 0.86 1.61 -0.02 0.00 -1.52 0.00 0.00 31.29 32.22 1r5k h VAL 376 CO 0.08 0.48 0.01 -0.74 0.02 0.00 0.00 177.57 177.42 1r5k h HIS 377 N 0.36 0.93 -0.53 1.57 -0.00 -1.25 0.55 115.15 116.79 1r5k h HIS 377 Ca 0.03 -0.16 -0.01 0.00 -0.00 0.00 0.00 60.37 60.23 1r5k h HIS 377 Cb 0.88 -0.24 -0.02 0.00 -0.00 0.00 0.00 27.41 28.02 1r5k h HIS 377 CO 0.03 0.87 0.28 -0.07 -0.00 0.00 0.00 177.93 179.04 1r5k h LEU 378 N 0.72 0.66 -0.66 0.26 4.07 -0.92 -2.03 115.31 117.41 1r5k h LEU 378 Ca 0.14 -0.10 -0.13 0.00 0.08 0.00 0.00 57.88 57.87 1r5k h LEU 378 Cb 0.49 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 42.05 1r5k h LEU 378 CO 0.02 0.57 -0.34 -0.07 -1.08 0.00 0.00 178.44 177.54 1r5k h LEU 379 N 0.70 0.69 -1.38 1.67 3.38 -1.17 -2.33 115.31 116.88 1r5k h LEU 379 Ca 0.18 -0.29 0.09 0.00 0.09 0.00 0.00 57.88 57.96 1r5k h LEU 379 Cb 0.06 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.57 1r5k h LEU 379 CO -0.03 0.98 0.50 -0.08 0.09 0.00 0.00 178.44 179.90 1r5k h GLU 380 N 0.56 0.69 0.00 1.13 4.81 -0.33 -2.07 114.58 119.36 1r5k h GLU 380 Ca 0.06 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1r5k h GLU 380 Cb 0.85 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.08 1r5k h GLU 380 CO 0.07 0.45 -0.96 0.00 -0.73 0.00 0.00 179.01 177.85 1r5k n ALA 382 N -2.04 3.67 -0.15 0.00 0.00 -0.90 -4.78 120.51 116.31 1r5k n ALA 382 Ca 0.01 -0.37 -0.08 0.00 0.00 0.00 0.00 53.44 53.00 1r5k n ALA 382 Cb 0.50 -0.47 0.00 0.00 0.00 0.00 0.00 19.45 19.49 1r5k n ALA 382 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.50 177.61 1r5k h TRP 383 N 0.04 0.62 -0.43 0.00 5.08 -1.61 0.41 115.95 120.07 1r5k h TRP 383 Ca 0.00 -0.02 -0.12 0.00 1.08 0.00 0.00 58.89 59.83 1r5k h TRP 383 Cb 0.31 -0.20 -0.01 0.00 -3.00 0.00 0.00 29.16 26.26 1r5k h TRP 383 CO 0.00 0.48 -0.21 1.25 -1.28 0.00 0.00 178.44 178.68 1r5k h LEU 384 N 0.58 0.88 -1.01 0.11 5.85 -1.87 0.75 115.31 120.59 1r5k h LEU 384 Ca 0.16 -0.32 0.03 0.00 0.84 0.00 0.00 57.88 58.59 1r5k h LEU 384 Cb 0.08 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 40.81 1r5k h LEU 384 CO -0.02 1.06 0.66 -0.33 -0.34 0.00 0.00 178.44 179.47 1r5k h GLU 385 N 0.75 1.26 -0.05 1.25 5.08 -1.70 0.31 114.58 121.47 1r5k h GLU 385 Ca 0.10 -0.08 -0.05 0.00 -1.00 0.00 0.00 59.36 58.34 1r5k h GLU 385 Cb 0.75 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1r5k h GLU 385 CO 0.06 0.83 -0.16 0.82 -1.00 0.00 0.00 179.01 179.56 1r5k h ILE 386 N 1.29 1.45 -0.82 3.13 2.04 -0.42 0.65 117.51 124.84 1r5k h ILE 386 Ca 0.39 -1.58 0.20 0.00 1.00 0.00 0.00 64.86 64.87 1r5k h ILE 386 Cb -0.04 2.37 -0.14 0.00 -0.74 0.00 0.00 36.82 38.27 1r5k h ILE 386 CO -0.11 0.44 0.12 -0.07 0.00 0.00 0.00 178.15 178.53 1r5k h LEU 387 N -0.35 -0.17 -0.22 1.44 4.07 -0.76 -2.38 115.31 116.95 1r5k h LEU 387 Ca -0.01 0.19 -0.20 0.00 0.08 0.00 0.00 57.88 57.95 1r5k h LEU 387 Cb 0.80 0.30 0.01 0.00 1.08 0.00 0.00 40.66 42.84 1r5k h LEU 387 CO 0.03 -0.16 -0.64 0.24 -1.08 0.00 0.00 178.44 176.84 1r5k h MET 388 N 0.16 0.82 0.00 1.13 2.86 0.44 -2.28 114.93 118.07 1r5k h MET 388 Ca 0.48 -0.59 -0.08 0.00 -2.06 0.00 0.00 59.70 57.46 1r5k h MET 388 Cb 0.91 0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.65 1r5k h MET 388 CO -0.66 1.21 -0.36 0.97 1.06 0.00 0.00 176.91 179.13 1r5k h ILE 389 N 0.58 1.13 -0.18 -1.22 2.10 -0.72 -1.08 117.51 118.13 1r5k h ILE 389 Ca -0.02 -1.28 -0.19 0.00 1.08 0.00 0.00 64.86 64.45 1r5k h ILE 389 Cb 1.26 1.72 -0.00 0.00 -1.09 0.00 0.00 36.82 38.70 1r5k h ILE 389 CO 0.14 0.35 -0.64 1.23 -1.08 0.00 0.00 178.15 178.15 1r5k h GLY 390 N 1.28 0.72 0.82 8.18 0.00 -1.26 -0.13 103.07 112.69 1r5k h GLY 390 Ca -0.00 -0.91 -0.03 0.00 0.00 0.00 0.00 47.33 46.39 1r5k h GLY 390 CO 0.05 0.82 -0.25 -2.00 0.00 0.00 0.00 176.54 175.15 1r5k h LEU 391 N 0.48 -0.60 -1.34 3.11 5.85 -1.03 -1.85 115.31 119.94 1r5k h LEU 391 Ca -0.01 -0.05 0.16 0.00 0.84 0.00 0.00 57.88 58.82 1r5k h LEU 391 Cb 1.22 0.15 -0.07 0.00 0.37 0.00 0.00 40.66 42.34 1r5k h LEU 391 CO 0.13 -0.30 0.57 0.58 -0.34 0.00 0.00 178.44 179.08 1r5k h VAL 392 N -0.89 0.79 0.44 1.05 2.07 -1.18 0.13 116.25 118.66 1r5k h VAL 392 Ca -0.07 -0.21 -0.02 0.00 0.82 0.00 0.00 66.70 67.22 1r5k h VAL 392 Cb 0.61 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 1r5k h VAL 392 CO 0.12 0.11 -0.21 -0.25 0.02 0.00 0.00 177.57 177.36 1r5k h TRP 393 N 0.61 -0.55 -1.35 1.57 2.91 -0.85 -2.53 115.95 115.76 1r5k h TRP 393 Ca 0.45 -0.01 0.39 0.00 1.13 0.00 0.00 58.89 60.85 1r5k h TRP 393 Cb 0.83 0.18 -0.05 0.00 -0.51 0.00 0.00 29.16 29.61 1r5k h TRP 393 CO -0.00 -0.34 1.10 0.00 -1.03 0.00 0.00 178.44 178.17 1r5k h ARG 394 N -1.04 0.00 -0.64 2.65 3.08 -1.00 -1.00 114.38 116.43 1r5k h ARG 394 Ca -0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.99 1r5k h ARG 394 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.50 1r5k h ARG 394 CO 0.10 0.00 0.00 0.43 -1.07 0.00 0.00 179.97 179.43 1r5k n SER 395 N -3.82 3.56 0.06 7.04 7.64 0.43 -4.65 113.62 123.88 1r5k n SER 395 Ca 0.30 -1.99 -0.13 0.00 1.01 0.00 0.00 58.87 58.06 1r5k n SER 395 Cb 1.53 -0.42 -0.08 0.00 -1.01 0.00 0.00 64.21 64.22 1r5k n SER 395 CO 0.00 0.00 0.00 -0.03 -3.01 0.00 0.00 175.04 172.00 1r5k h MET 396 N 3.96 -0.12 -0.95 1.43 -1.53 -0.79 -2.69 114.93 114.25 1r5k h MET 396 Ca 0.00 0.01 -0.23 0.00 -3.44 0.00 0.00 59.70 56.03 1r5k h MET 396 Cb 0.90 0.03 -0.14 0.00 -0.55 0.00 0.00 31.60 31.84 1r5k h MET 396 CO 0.00 0.09 0.30 0.39 0.14 0.00 0.00 176.91 177.83 1r5k n GLU 397 N -5.05 2.06 -3.18 0.39 -0.58 -1.26 -4.38 120.64 108.63 1r5k n GLU 397 Ca -0.08 -1.75 -0.21 0.00 -0.42 0.00 0.00 57.16 54.69 1r5k n GLU 397 Cb 0.16 -1.74 -0.05 0.00 -0.57 0.00 0.00 31.44 29.24 1r5k n GLU 397 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 1r5k n HIS 398 N -0.27 0.44 -1.55 -0.32 8.25 -1.01 -5.11 115.22 115.64 1r5k n HIS 398 Ca 0.31 -3.76 -0.47 0.00 -0.26 0.00 0.00 57.72 53.54 1r5k n HIS 398 Cb 1.10 -0.41 -0.03 0.00 1.12 0.00 0.00 29.99 31.77 1r5k n HIS 398 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1r5k n PRO 399 N 0.67 1.05 -0.42 -0.41 -0.04 -1.26 -1.25 135.00 133.34 1r5k n PRO 399 Ca 0.24 0.37 0.00 0.00 -0.04 0.00 0.00 63.50 64.07 1r5k n PRO 399 Cb 0.58 -1.73 0.00 0.00 -0.04 0.00 0.00 33.50 32.31 1r5k n PRO 399 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1r5k n GLY 400 N 1.62 1.43 3.06 0.55 0.00 -1.26 -5.00 105.19 105.59 1r5k n GLY 400 Ca 0.13 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.00 1r5k n GLY 400 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r5k s LYS 401 N -0.27 0.59 -0.13 1.61 1.02 -0.38 -1.70 119.74 120.47 1r5k s LYS 401 Ca 0.00 -0.63 -0.00 0.00 0.02 0.00 0.00 55.97 55.36 1r5k s LYS 401 Cb 0.00 -0.47 -0.02 0.00 -0.52 0.00 0.00 37.83 36.83 1r5k s LYS 401 CO 0.00 0.11 -0.13 -0.51 -0.92 0.00 0.00 175.35 173.90 1r5k s LEU 402 N -1.15 2.75 -0.93 3.17 1.43 0.34 -4.84 118.68 119.46 1r5k s LEU 402 Ca -0.05 -0.31 -0.02 0.00 -1.03 0.00 0.00 54.13 52.72 1r5k s LEU 402 Cb -0.08 -1.62 0.24 0.00 0.03 0.00 0.00 46.19 44.76 1r5k s LEU 402 CO 0.01 0.17 0.89 -0.11 0.23 0.00 0.00 176.35 177.53 1r5k n LEU 403 N 3.50 4.53 0.08 1.79 0.00 -1.26 -0.51 117.00 125.12 1r5k n LEU 403 Ca -0.18 -5.15 0.01 0.00 0.00 0.00 0.00 56.01 50.69 1r5k n LEU 403 Cb 0.53 -1.13 0.35 0.00 0.00 0.00 0.00 43.42 43.16 1r5k n LEU 403 CO 0.31 1.59 0.88 -0.26 0.00 0.00 0.00 177.39 179.90 1r5k h PHE 404 N 5.88 0.34 -2.34 1.96 0.04 -1.73 -3.43 116.94 117.66 1r5k h PHE 404 Ca 0.17 -0.04 0.13 0.00 2.80 0.00 0.00 57.97 61.03 1r5k h PHE 404 Cb 0.79 -0.09 -0.12 0.00 2.20 0.00 0.00 35.95 38.72 1r5k h PHE 404 CO 0.75 0.44 0.48 0.00 -0.60 0.00 0.00 178.31 179.37 1r5k s ALA 405 N -4.74 -1.74 0.40 2.45 0.00 -0.94 -4.93 121.76 112.26 1r5k s ALA 405 Ca -0.06 0.62 0.21 0.00 0.00 0.00 0.00 51.96 52.73 1r5k s ALA 405 Cb 0.15 0.53 1.17 0.00 0.00 0.00 0.00 23.12 24.97 1r5k s ALA 405 CO 0.75 -0.84 1.73 -1.35 0.00 0.00 0.00 175.76 176.05 1r5k h PRO 406 N 2.00 0.31 -0.65 0.00 0.11 -1.89 0.31 132.00 132.19 1r5k h PRO 406 Ca -0.23 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.86 1r5k h PRO 406 Cb 1.24 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1r5k h PRO 406 CO 0.29 0.21 0.00 0.27 -0.21 0.00 0.00 178.00 178.56 1r5k n ASN 407 N -4.67 4.15 -3.44 -2.05 6.94 -1.26 -4.80 115.26 110.13 1r5k n ASN 407 Ca 0.28 -2.18 -0.24 0.00 -0.02 0.00 0.00 54.58 52.42 1r5k n ASN 407 Cb 1.00 -0.50 -0.11 0.00 -2.36 0.00 0.00 39.78 37.81 1r5k n ASN 407 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 1r5k s LEU 408 N -1.35 0.37 -0.26 -4.53 2.96 0.11 -4.82 118.68 111.16 1r5k s LEU 408 Ca 0.47 -1.52 0.01 0.00 -0.22 0.00 0.00 54.13 52.87 1r5k s LEU 408 Cb 0.27 0.03 0.05 0.00 0.50 0.00 0.00 46.19 47.03 1r5k s LEU 408 CO 0.28 -0.35 -0.09 -0.22 -1.32 0.00 0.00 176.35 174.65 1r5k s LEU 409 N 1.69 3.35 -0.10 -0.68 2.96 -1.26 -1.85 118.68 122.79 1r5k s LEU 409 Ca 0.14 -1.18 -0.03 0.00 -0.22 0.00 0.00 54.13 52.84 1r5k s LEU 409 Cb -0.18 -1.60 -0.03 0.00 0.50 0.00 0.00 46.19 44.88 1r5k s LEU 409 CO -0.17 -0.17 0.02 -0.76 -1.32 0.00 0.00 176.35 173.94 1r5k s LEU 410 N 1.20 3.64 0.55 -0.68 1.43 0.33 -4.94 118.68 120.21 1r5k s LEU 410 Ca -0.05 0.14 -0.15 0.00 -1.03 0.00 0.00 54.13 53.05 1r5k s LEU 410 Cb -0.18 -1.85 -0.06 0.00 0.03 0.00 0.00 46.19 44.12 1r5k s LEU 410 CO -0.05 0.34 1.00 -0.62 0.23 0.00 0.00 176.35 177.26 1r5k s ASP 411 N -0.67 6.45 0.29 2.29 -1.08 -1.26 -0.50 116.67 122.19 1r5k s ASP 411 Ca 0.11 1.54 0.04 0.00 -0.52 0.00 0.00 52.55 53.72 1r5k s ASP 411 Cb -0.12 -2.50 0.72 0.00 -1.46 0.00 0.00 42.92 39.56 1r5k s ASP 411 CO 0.02 -0.71 1.72 -0.09 0.52 0.00 0.00 175.17 176.63 1r5k h ARG 412 N 0.53 0.48 0.00 4.34 1.12 -1.71 -0.76 114.38 118.38 1r5k h ARG 412 Ca -0.46 -0.03 0.00 0.00 -1.11 0.00 0.00 59.98 58.38 1r5k h ARG 412 Cb 1.19 -0.11 0.00 0.00 -0.01 0.00 0.00 29.97 31.04 1r5k h ARG 412 CO 0.61 0.32 0.00 0.09 -3.11 0.00 0.00 179.97 177.88 1r5k n ASN 413 N -4.97 0.11 0.12 -3.80 4.13 -1.26 -2.53 115.26 107.07 1r5k n ASN 413 Ca 0.22 0.52 0.12 0.00 1.68 0.00 0.00 54.58 57.12 1r5k n ASN 413 Cb 0.63 -0.55 0.26 0.00 -1.54 0.00 0.00 39.78 38.58 1r5k n ASN 413 CO 0.00 0.00 0.00 1.56 0.28 0.00 0.00 177.26 179.10 1r5k h GLN 414 N 0.00 0.00 -0.16 3.52 4.20 -1.51 -2.12 115.11 119.04 1r5k h GLN 414 Ca 0.00 0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.76 1r5k h GLN 414 Cb 0.38 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 1r5k h GLN 414 CO 0.00 0.00 0.19 0.78 -0.67 0.00 0.00 178.83 179.13 1r5k h GLY 415 N 4.36 0.00 1.36 3.46 0.00 -1.56 -0.95 103.07 109.73 1r5k h GLY 415 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1r5k h GLY 415 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.54 177.71 1r5k n LYS 416 N -3.71 0.42 0.10 4.80 3.00 -0.80 -2.46 118.16 119.51 1r5k n LYS 416 Ca 0.01 0.06 0.12 0.00 -0.00 0.00 0.00 58.31 58.51 1r5k n LYS 416 Cb 0.30 -1.50 0.45 0.00 0.00 0.00 0.00 35.03 34.28 1r5k n LYS 416 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1r5k s VAL 418 N -3.17 0.99 0.23 0.00 1.01 -1.03 -3.22 120.40 115.21 1r5k s VAL 418 Ca 0.08 -0.30 -0.31 0.00 0.00 0.00 0.00 61.98 61.45 1r5k s VAL 418 Cb 0.11 -0.99 -0.14 0.00 0.00 0.00 0.00 36.38 35.36 1r5k s VAL 418 CO 0.51 0.35 1.28 1.21 0.00 0.00 0.00 175.10 178.45 1r5k n GLU 419 N 4.65 1.68 -0.24 2.72 2.13 -1.26 -1.24 120.64 129.08 1r5k n GLU 419 Ca -0.15 0.60 0.00 0.00 0.66 0.00 0.00 57.16 58.26 1r5k n GLU 419 Cb 0.50 -2.17 0.00 0.00 0.27 0.00 0.00 31.44 30.05 1r5k n GLU 419 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1r5k n GLY 420 N 1.94 1.51 0.14 8.31 0.00 -1.26 -4.88 105.19 110.96 1r5k n GLY 420 Ca 0.12 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.18 1r5k n GLY 420 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1r5k h MET 421 N 1.44 0.00 -0.21 1.61 -1.53 -1.34 -3.31 114.93 111.59 1r5k h MET 421 Ca 0.00 0.00 -0.01 0.00 -3.44 0.00 0.00 59.70 56.25 1r5k h MET 421 Cb 0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.04 1r5k h MET 421 CO 0.00 0.32 0.09 -0.24 0.14 0.00 0.00 176.91 177.22 1r5k h VAL 422 N 0.00 1.08 0.14 -5.77 3.04 -1.73 -1.32 116.25 111.68 1r5k h VAL 422 Ca -0.04 -0.25 -0.00 0.00 -1.01 0.00 0.00 66.70 65.39 1r5k h VAL 422 Cb 1.33 0.83 -0.00 0.00 -2.01 0.00 0.00 31.29 31.44 1r5k h VAL 422 CO 0.04 0.10 -0.09 -0.33 -1.01 0.00 0.00 177.57 176.28 1r5k h GLU 423 N 0.29 -0.21 -0.44 4.17 3.07 -1.92 -0.80 114.58 118.74 1r5k h GLU 423 Ca 0.07 0.01 0.02 0.00 -0.50 0.00 0.00 59.36 58.97 1r5k h GLU 423 Cb 0.05 0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 27.99 1r5k h GLU 423 CO -0.01 -0.14 0.26 0.82 -1.40 0.00 0.00 179.01 178.54 1r5k h ILE 424 N -0.22 1.05 -0.63 3.13 2.04 -1.58 -2.50 117.51 118.80 1r5k h ILE 424 Ca -0.01 -0.18 0.08 0.00 1.00 0.00 0.00 64.86 65.75 1r5k h ILE 424 Cb 0.19 0.48 -0.06 0.00 -0.74 0.00 0.00 36.82 36.68 1r5k h ILE 424 CO 0.01 0.10 0.29 -0.26 0.00 0.00 0.00 178.15 178.29 1r5k h PHE 425 N 0.53 0.52 -0.36 1.37 -1.00 -0.98 -1.51 116.94 115.51 1r5k h PHE 425 Ca 0.17 0.03 0.02 0.00 2.81 0.00 0.00 57.97 61.00 1r5k h PHE 425 Cb 0.00 -0.14 -0.02 0.00 3.61 0.00 0.00 35.95 39.40 1r5k h PHE 425 CO -0.07 0.19 0.21 -0.44 -1.61 0.00 0.00 178.31 176.59 1r5k h ASP 426 N 0.52 0.34 -0.84 2.17 3.32 -0.74 0.20 116.42 121.39 1r5k h ASP 426 Ca 0.31 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.34 1r5k h ASP 426 Cb 0.31 -0.07 -0.04 0.00 0.22 0.00 0.00 39.33 39.75 1r5k h ASP 426 CO -0.25 0.25 0.46 0.24 -1.72 0.00 0.00 179.24 178.22 1r5k h MET 427 N 0.43 1.17 -0.45 3.56 2.86 -1.04 0.76 114.93 122.22 1r5k h MET 427 Ca 0.14 -0.14 -0.04 0.00 -2.06 0.00 0.00 59.70 57.61 1r5k h MET 427 Cb 0.01 -0.23 -0.02 0.00 0.06 0.00 0.00 31.60 31.42 1r5k h MET 427 CO -0.07 0.86 0.11 -0.07 1.06 0.00 0.00 176.91 178.80 1r5k h LEU 428 N 1.17 0.67 -0.71 1.22 3.38 -0.63 -1.45 115.31 118.96 1r5k h LEU 428 Ca 0.30 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 1r5k h LEU 428 Cb 0.03 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 1r5k h LEU 428 CO -0.05 0.73 0.43 -0.07 0.09 0.00 0.00 178.44 179.57 1r5k h LEU 429 N 0.59 0.85 -0.96 1.67 3.38 0.07 -0.21 115.31 120.69 1r5k h LEU 429 Ca 0.14 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1r5k h LEU 429 Cb 0.31 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.80 1r5k h LEU 429 CO 0.00 0.66 0.61 0.00 0.09 0.00 0.00 178.44 179.80 1r5k h ALA 430 N 1.23 1.23 -0.41 1.53 0.00 -0.61 0.15 119.26 122.36 1r5k h ALA 430 Ca 0.26 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 1r5k h ALA 430 Cb -0.04 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.35 1r5k h ALA 430 CO -0.05 0.65 0.02 1.15 0.00 0.00 0.00 179.25 181.03 1r5k h THR 431 N 1.32 1.26 -0.77 0.00 2.02 -0.58 1.00 112.91 117.15 1r5k h THR 431 Ca 0.35 -0.97 0.03 0.00 0.77 0.00 0.00 66.41 66.59 1r5k h THR 431 Cb -0.10 1.07 -0.04 0.00 -1.74 0.00 0.00 68.15 67.34 1r5k h THR 431 CO -0.07 0.33 0.51 -1.28 0.37 0.00 0.00 175.52 175.38 1r5k h SER 432 N 0.55 0.82 -0.48 4.18 0.87 -0.69 -1.50 113.55 117.30 1r5k h SER 432 Ca 0.12 -0.01 -0.06 0.00 -1.23 0.00 0.00 61.79 60.61 1r5k h SER 432 Cb 0.45 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.20 1r5k h SER 432 CO 0.02 0.57 0.06 -1.28 -0.53 0.00 0.00 176.83 175.67 1r5k h SER 433 N 0.96 0.78 -0.30 6.23 0.87 0.30 -1.72 113.55 120.67 1r5k h SER 433 Ca 0.31 -0.27 -0.16 0.00 -1.23 0.00 0.00 61.79 60.44 1r5k h SER 433 Cb 0.03 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 61.78 1r5k h SER 433 CO -0.09 0.86 -0.40 -0.09 -0.53 0.00 0.00 176.83 176.58 1r5k h ARG 434 N 0.68 0.86 -0.63 2.24 9.65 -0.33 -2.30 114.38 124.55 1r5k h ARG 434 Ca 0.15 -0.45 -0.04 0.00 -1.10 0.00 0.00 59.98 58.53 1r5k h ARG 434 Cb 0.42 0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 28.98 1r5k h ARG 434 CO 0.01 1.10 0.25 0.74 2.80 0.00 0.00 179.97 184.87 1r5k h PHE 435 N 0.70 0.93 -0.31 2.20 0.05 -1.15 -1.28 116.94 118.08 1r5k h PHE 435 Ca 0.05 -0.06 0.02 0.00 3.82 0.00 0.00 57.97 61.81 1r5k h PHE 435 Cb 0.98 -0.29 -0.02 0.00 2.00 0.00 0.00 35.95 38.62 1r5k h PHE 435 CO 0.06 0.72 0.17 -0.09 -0.18 0.00 0.00 178.31 178.98 1r5k h ARG 436 N 0.91 0.34 -0.29 1.51 2.43 -0.89 -0.82 114.38 117.57 1r5k h ARG 436 Ca 0.21 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.32 1r5k h ARG 436 Cb 0.18 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 1r5k h ARG 436 CO -0.02 0.22 0.00 0.52 -1.51 0.00 0.00 179.97 179.19 1r5k h MET 437 N 0.35 0.51 0.00 0.20 2.86 -1.09 -1.55 114.93 116.21 1r5k h MET 437 Ca 0.12 -0.16 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1r5k h MET 437 Cb 0.02 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.63 1r5k h MET 437 CO -0.07 0.66 0.00 -1.33 1.06 0.00 0.00 176.91 177.22 1r5k n MET 438 N -4.58 0.01 -3.60 1.72 2.81 -0.51 -4.87 117.12 108.09 1r5k n MET 438 Ca -0.03 0.34 -0.21 0.00 -1.81 0.00 0.00 57.70 55.99 1r5k n MET 438 Cb 0.25 -1.50 0.06 0.00 -0.71 0.00 0.00 33.22 31.32 1r5k n MET 438 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1r5k n ASN 439 N -1.48 -2.70 -4.61 7.83 5.15 -0.39 -4.86 115.26 114.20 1r5k n ASN 439 Ca 0.02 -0.69 -0.50 0.00 -0.60 0.00 0.00 54.58 52.81 1r5k n ASN 439 Cb 0.10 -4.62 -0.05 0.00 -0.53 0.00 0.00 39.78 34.67 1r5k n ASN 439 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 1r5k n LEU 440 N -4.37 2.09 -4.92 1.20 7.94 -0.72 -4.97 117.00 113.25 1r5k n LEU 440 Ca -0.21 1.11 -0.28 0.00 -1.11 0.00 0.00 56.01 55.52 1r5k n LEU 440 Cb 0.64 -1.27 -0.03 0.00 0.53 0.00 0.00 43.42 43.29 1r5k n LEU 440 CO 0.66 -0.84 0.12 -1.10 -1.11 0.00 0.00 177.39 175.12 1r5k s GLN 441 N 0.47 3.57 0.23 1.96 -1.52 -1.26 -4.97 119.66 118.14 1r5k s GLN 441 Ca 0.81 -0.17 -0.06 0.00 -1.95 0.00 0.00 55.36 53.98 1r5k s GLN 441 Cb -0.86 -2.73 0.35 0.00 -0.22 0.00 0.00 33.01 29.55 1r5k s GLN 441 CO 0.45 0.29 1.79 0.78 -0.25 0.00 0.00 175.29 178.36 1r5k h GLY 442 N 1.76 1.14 0.81 3.09 0.00 -1.99 0.70 103.07 108.59 1r5k h GLY 442 Ca -0.48 -0.26 0.04 0.00 0.00 0.00 0.00 47.33 46.63 1r5k h GLY 442 CO 0.67 0.10 0.40 0.83 0.00 0.00 0.00 176.54 178.54 1r5k h GLU 443 N 0.69 0.75 -0.55 4.80 3.07 -2.00 -1.86 114.58 119.48 1r5k h GLU 443 Ca 0.36 -0.05 -0.10 0.00 -0.50 0.00 0.00 59.36 59.08 1r5k h GLU 443 Cb 0.34 -0.17 -0.02 0.00 -0.84 0.00 0.00 28.75 28.06 1r5k h GLU 443 CO -0.25 0.50 -0.04 0.93 -1.40 0.00 0.00 179.01 178.74 1r5k h GLU 444 N 0.77 1.01 -0.64 2.33 5.08 -1.79 -2.96 114.58 118.38 1r5k h GLU 444 Ca 0.28 -0.34 0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1r5k h GLU 444 Cb 0.07 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 1r5k h GLU 444 CO -0.13 1.02 0.41 0.35 -1.00 0.00 0.00 179.01 179.67 1r5k h PHE 445 N 0.89 0.78 -0.08 4.33 3.57 -0.23 -1.08 116.94 125.11 1r5k h PHE 445 Ca 0.15 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.56 1r5k h PHE 445 Cb 0.60 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 39.07 1r5k h PHE 445 CO 0.04 0.47 -0.45 -0.24 -2.23 0.00 0.00 178.31 175.90 1r5k h VAL 446 N 0.83 1.33 -0.00 1.41 3.04 -1.30 -1.04 116.25 120.51 1r5k h VAL 446 Ca 0.24 -1.61 -0.00 0.00 -1.01 0.00 0.00 66.70 64.32 1r5k h VAL 446 Cb -0.05 1.77 -0.00 0.00 -2.01 0.00 0.00 31.29 31.00 1r5k h VAL 446 CO -0.07 0.48 0.00 0.00 -1.01 0.00 0.00 177.57 176.97 1r5k h LEU 448 N -0.30 0.73 -1.27 0.00 4.07 -0.76 -0.97 115.31 116.81 1r5k h LEU 448 Ca 0.00 0.07 -0.07 0.00 0.08 0.00 0.00 57.88 57.96 1r5k h LEU 448 Cb 0.31 -0.07 -0.01 0.00 1.08 0.00 0.00 40.66 41.97 1r5k h LEU 448 CO 0.00 0.36 -0.28 0.50 -1.08 0.00 0.00 178.44 177.94 1r5k h LYS 449 N 0.81 0.14 0.11 1.13 3.64 -1.12 -1.68 116.57 119.59 1r5k h LYS 449 Ca 0.47 -0.05 -0.27 0.00 -1.27 0.00 0.00 60.65 59.53 1r5k h LYS 449 Cb 0.54 -0.01 0.01 0.00 -0.41 0.00 0.00 32.23 32.36 1r5k h LYS 449 CO -0.30 0.41 -1.20 0.77 -2.27 0.00 0.00 179.45 176.87 1r5k h SER 450 N 0.13 0.51 -0.35 4.20 0.02 -1.14 -2.95 113.55 113.97 1r5k h SER 450 Ca 0.02 -0.51 0.02 0.00 -0.84 0.00 0.00 61.79 60.49 1r5k h SER 450 Cb 0.56 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.91 1r5k h SER 450 CO 0.04 1.37 0.18 0.40 -1.14 0.00 0.00 176.83 177.68 1r5k h ILE 451 N 0.12 1.00 -0.23 3.27 2.04 -0.79 -1.84 117.51 121.09 1r5k h ILE 451 Ca -0.14 -0.13 0.05 0.00 1.00 0.00 0.00 64.86 65.65 1r5k h ILE 451 Cb 1.90 0.60 -0.05 0.00 -0.74 0.00 0.00 36.82 38.52 1r5k h ILE 451 CO 0.20 0.07 -0.10 0.40 0.00 0.00 0.00 178.15 178.73 1r5k h ILE 452 N 0.37 0.68 -0.74 -0.67 2.04 -1.31 0.40 117.51 118.29 1r5k h ILE 452 Ca 0.14 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.12 1r5k h ILE 452 Cb 0.04 0.68 -0.08 0.00 -0.74 0.00 0.00 36.82 36.72 1r5k h ILE 452 CO -0.09 0.00 0.33 0.25 0.00 0.00 0.00 178.15 178.64 1r5k h LEU 453 N -0.06 0.38 0.11 1.44 5.85 -1.29 -1.51 115.31 120.22 1r5k h LEU 453 Ca 0.12 0.09 -0.33 0.00 0.84 0.00 0.00 57.88 58.60 1r5k h LEU 453 Cb 0.24 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 1r5k h LEU 453 CO -0.27 0.18 -1.73 -0.07 -0.34 0.00 0.00 178.44 176.21 1r5k h LEU 454 N 0.52 0.38 0.00 2.25 3.38 -0.58 -3.38 115.31 117.88 1r5k h LEU 454 Ca 0.39 -0.65 -0.20 0.00 0.09 0.00 0.00 57.88 57.52 1r5k h LEU 454 Cb 0.52 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 1r5k h LEU 454 CO -0.34 1.56 -0.98 -1.13 0.09 0.00 0.00 178.44 177.63 1r5k h ASN 455 N 0.07 0.00 0.50 -0.43 -0.73 -0.14 -3.35 115.58 111.50 1r5k h ASN 455 Ca -0.32 0.00 -0.05 0.00 1.87 0.00 0.00 56.30 57.80 1r5k h ASN 455 Cb 2.04 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 40.62 1r5k h ASN 455 CO 0.13 0.91 -0.21 0.28 -0.37 0.00 0.00 177.43 178.16 1r5k h SER 456 N 0.00 0.00 -0.02 1.15 0.02 -1.45 -3.16 113.55 110.10 1r5k h SER 456 Ca -0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1r5k h SER 456 Cb 1.72 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.26 1r5k h SER 456 CO 0.11 0.21 0.00 0.61 -1.14 0.00 0.00 176.83 176.63 1r5k n GLY 457 N -0.43 -0.27 0.18 -3.77 0.00 -1.26 -4.75 105.19 94.90 1r5k n GLY 457 Ca -0.01 -0.05 -0.09 0.00 0.00 0.00 0.00 46.02 45.86 1r5k n GLY 457 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1r5k h VAL 458 N 0.35 1.37 0.00 1.61 3.04 -1.67 -2.98 116.25 117.97 1r5k h VAL 458 Ca 0.00 -2.04 -0.06 0.00 -1.01 0.00 0.00 66.70 63.59 1r5k h VAL 458 Cb 0.19 2.02 -0.01 0.00 -2.01 0.00 0.00 31.29 31.48 1r5k h VAL 458 CO 0.00 0.61 -0.30 1.88 -1.01 0.00 0.00 177.57 178.75 1r5k h TYR 459 N 0.29 0.00 -0.00 3.17 -1.99 -1.85 -2.71 116.97 113.88 1r5k h TYR 459 Ca -0.02 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.71 1r5k h TYR 459 Cb 1.22 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.95 1r5k h TYR 459 CO 0.04 0.30 -0.08 0.25 -0.00 0.00 0.00 178.16 178.67 1r5k n THR 460 N -3.81 0.00 -1.80 -2.88 -2.24 -1.13 -4.79 114.28 97.63 1r5k n THR 460 Ca -0.01 -0.01 -0.37 0.00 -2.27 0.00 0.00 64.05 61.39 1r5k n THR 460 Cb 0.39 -0.33 0.06 0.00 -2.10 0.00 0.00 70.33 68.35 1r5k n THR 460 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 1r5k s PHE 461 N -2.77 2.15 0.58 4.78 0.08 -1.02 -4.99 117.98 116.78 1r5k s PHE 461 Ca 0.21 1.50 -0.14 0.00 0.12 0.00 0.00 56.93 58.61 1r5k s PHE 461 Cb 0.19 -3.63 -0.05 0.00 -0.57 0.00 0.00 43.02 38.96 1r5k s PHE 461 CO 0.52 -2.74 1.02 -0.51 -0.10 0.00 0.00 175.22 173.41 1r5k s LEU 462 N -4.33 3.45 0.00 -0.37 1.43 -1.26 -4.96 118.68 112.65 1r5k s LEU 462 Ca 0.81 1.59 0.16 0.00 -1.03 0.00 0.00 54.13 55.66 1r5k s LEU 462 Cb -0.35 -4.50 0.26 0.00 0.03 0.00 0.00 46.19 41.62 1r5k s LEU 462 CO 0.38 -0.87 1.16 -1.20 0.23 0.00 0.00 176.35 176.06 1r5k n SER 463 N -2.12 2.77 -0.36 2.29 7.64 -1.26 -4.42 113.62 118.17 1r5k n SER 463 Ca 0.07 -1.81 0.11 0.00 1.01 0.00 0.00 58.87 58.25 1r5k n SER 463 Cb 0.54 -0.14 0.47 0.00 -1.01 0.00 0.00 64.21 64.07 1r5k n SER 463 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1r5k n SER 464 N 0.96 1.09 -4.07 6.43 3.41 -1.26 -4.88 113.62 115.30 1r5k n SER 464 Ca 0.13 -1.57 -0.21 0.00 -0.26 0.00 0.00 58.87 56.96 1r5k n SER 464 Cb 0.45 -0.06 -0.15 0.00 -0.26 0.00 0.00 64.21 64.20 1r5k n SER 464 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1r5k s THR 465 N -1.88 0.94 0.63 6.66 -1.32 -1.26 -4.98 115.64 114.43 1r5k s THR 465 Ca 0.32 -0.51 0.19 0.00 -1.21 0.00 0.00 61.69 60.49 1r5k s THR 465 Cb 0.17 -0.78 0.25 0.00 -1.51 0.00 0.00 72.50 70.62 1r5k s THR 465 CO 0.26 0.27 1.43 -0.07 -2.21 0.00 0.00 174.62 174.30 1r5k h LEU 466 N 5.86 0.00 -5.14 9.08 4.07 -1.99 -2.08 115.31 125.10 1r5k h LEU 466 Ca -0.33 0.00 0.18 0.00 0.08 0.00 0.00 57.88 57.81 1r5k h LEU 466 Cb 1.17 0.00 -0.17 0.00 1.08 0.00 0.00 40.66 42.74 1r5k h LEU 466 CO 0.49 0.00 -0.03 -0.54 -1.08 0.00 0.00 178.44 177.28 1r5k s LYS 467 N -4.26 0.04 0.00 1.13 -0.14 -1.26 -4.85 119.74 110.41 1r5k s LYS 467 Ca -0.02 -0.01 0.03 0.00 -1.36 0.00 0.00 55.97 54.60 1r5k s LYS 467 Cb 0.09 0.01 -0.00 0.00 -1.68 0.00 0.00 37.83 36.24 1r5k s LYS 467 CO 0.30 -0.07 0.36 -1.13 -0.76 0.00 0.00 175.35 174.05 1r5k n SER 468 N 3.69 0.70 0.19 2.83 3.41 -0.78 -4.60 113.62 119.06 1r5k n SER 468 Ca 0.05 -0.85 0.06 0.00 -0.26 0.00 0.00 58.87 57.87 1r5k n SER 468 Cb 0.64 0.47 0.37 0.00 -0.26 0.00 0.00 64.21 65.43 1r5k n SER 468 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1r5k h LEU 469 N 0.28 0.00 -0.35 1.04 3.38 -1.77 -2.33 115.31 115.56 1r5k h LEU 469 Ca 0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 1r5k h LEU 469 Cb 0.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1r5k h LEU 469 CO 0.00 0.36 -0.11 -0.33 0.09 0.00 0.00 178.44 178.46 1r5k h GLU 470 N 0.00 0.69 0.28 1.13 5.08 -1.87 -1.49 114.58 118.40 1r5k h GLU 470 Ca -0.00 -0.27 -0.01 0.00 -1.00 0.00 0.00 59.36 58.07 1r5k h GLU 470 Cb 0.83 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.05 1r5k h GLU 470 CO 0.05 0.86 -0.14 0.93 -1.00 0.00 0.00 179.01 179.71 1r5k h GLU 471 N 0.47 -0.37 -0.73 2.33 4.39 -1.83 0.01 114.58 118.86 1r5k h GLU 471 Ca 0.09 0.03 0.15 0.00 0.34 0.00 0.00 59.36 59.96 1r5k h GLU 471 Cb 0.62 0.08 -0.10 0.00 -0.10 0.00 0.00 28.75 29.25 1r5k h GLU 471 CO 0.04 -0.13 0.23 0.87 -1.16 0.00 0.00 179.01 178.85 1r5k h LYS 472 N -0.55 0.33 -0.47 2.33 1.57 -1.48 0.55 116.57 118.84 1r5k h LYS 472 Ca -0.04 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 1r5k h LYS 472 Cb 0.40 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 1r5k h LYS 472 CO 0.06 0.22 0.17 0.22 -0.57 0.00 0.00 179.45 179.55 1r5k h ASP 473 N 0.34 0.67 -0.39 0.86 3.58 -0.96 -1.18 116.42 119.34 1r5k h ASP 473 Ca 0.41 -0.18 -0.02 0.00 0.42 0.00 0.00 57.03 57.65 1r5k h ASP 473 Cb 0.67 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 41.53 1r5k h ASP 473 CO -0.46 0.67 0.15 -0.74 -2.88 0.00 0.00 179.24 175.98 1r5k h HIS 474 N 0.63 0.59 -0.58 0.28 2.76 -0.29 -1.46 115.15 117.07 1r5k h HIS 474 Ca 0.16 -0.05 0.02 0.00 -2.20 0.00 0.00 60.37 58.30 1r5k h HIS 474 Cb 0.22 -0.18 -0.04 0.00 1.55 0.00 0.00 27.41 28.97 1r5k h HIS 474 CO 0.01 0.53 0.36 0.82 -1.30 0.00 0.00 177.93 178.35 1r5k h ILE 475 N 0.48 1.08 0.00 6.26 2.04 -0.63 -0.34 117.51 126.39 1r5k h ILE 475 Ca 0.13 -0.24 -0.04 0.00 1.00 0.00 0.00 64.86 65.70 1r5k h ILE 475 Cb 0.20 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 36.58 1r5k h ILE 475 CO -0.01 0.13 -0.20 0.45 0.00 0.00 0.00 178.15 178.52 1r5k h HIS 476 N 0.71 0.00 -0.14 1.37 3.86 -1.00 0.96 115.15 120.92 1r5k h HIS 476 Ca 0.23 0.00 -0.22 0.00 -1.16 0.00 0.00 60.37 59.22 1r5k h HIS 476 Cb 0.01 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.49 1r5k h HIS 476 CO -0.05 0.20 -0.79 0.00 0.86 0.00 0.00 177.93 178.15 1r5k h ARG 477 N 0.00 0.74 -0.07 2.45 3.08 -0.34 -2.07 114.38 118.17 1r5k h ARG 477 Ca -0.00 -0.62 -0.01 0.00 0.07 0.00 0.00 59.98 59.42 1r5k h ARG 477 Cb 0.54 0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.72 1r5k h ARG 477 CO 0.03 1.23 0.01 0.28 -1.07 0.00 0.00 179.97 180.44 1r5k h VAL 478 N 0.50 1.24 -0.93 2.04 2.07 -0.55 -2.68 116.25 117.93 1r5k h VAL 478 Ca -0.06 -0.73 0.23 0.00 0.82 0.00 0.00 66.70 66.97 1r5k h VAL 478 Cb 1.42 1.58 -0.13 0.00 -1.52 0.00 0.00 31.29 32.65 1r5k h VAL 478 CO 0.16 0.20 0.46 -0.07 0.02 0.00 0.00 177.57 178.35 1r5k h LEU 479 N -0.14 0.44 -0.91 2.57 3.38 -0.89 -0.11 115.31 119.65 1r5k h LEU 479 Ca 0.02 0.15 -0.07 0.00 0.09 0.00 0.00 57.88 58.07 1r5k h LEU 479 Cb 0.32 0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 1r5k h LEU 479 CO 0.00 0.02 0.03 0.44 0.09 0.00 0.00 178.44 179.03 1r5k h ASP 480 N 0.45 0.79 0.31 -0.43 3.45 -1.12 -1.72 116.42 118.15 1r5k h ASP 480 Ca 0.59 -0.18 -0.10 0.00 0.43 0.00 0.00 57.03 57.77 1r5k h ASP 480 Cb 1.14 -0.21 -0.01 0.00 -0.56 0.00 0.00 39.33 39.69 1r5k h ASP 480 CO -0.52 0.84 -0.42 0.50 -1.57 0.00 0.00 179.24 178.08 1r5k h LYS 481 N 0.78 0.15 -0.06 3.56 1.63 -0.71 -0.77 116.57 121.14 1r5k h LYS 481 Ca 0.15 -0.07 -0.19 0.00 -0.85 0.00 0.00 60.65 59.70 1r5k h LYS 481 Cb 0.43 -0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.05 1r5k h LYS 481 CO 0.02 0.54 -0.76 0.82 -3.45 0.00 0.00 179.45 176.62 1r5k h ILE 482 N 0.12 1.39 -0.06 2.00 2.04 -0.90 0.11 117.51 122.21 1r5k h ILE 482 Ca 0.01 -2.20 0.01 0.00 1.00 0.00 0.00 64.86 63.68 1r5k h ILE 482 Cb 0.79 2.16 -0.01 0.00 -0.74 0.00 0.00 36.82 39.03 1r5k h ILE 482 CO 0.06 0.66 0.00 0.74 0.00 0.00 0.00 178.15 179.61 1r5k h THR 483 N 0.26 0.96 -0.79 -0.27 2.02 -0.84 -0.20 112.91 114.06 1r5k h THR 483 Ca -0.04 -0.01 0.13 0.00 0.77 0.00 0.00 66.41 67.27 1r5k h THR 483 Cb 1.34 0.93 -0.09 0.00 -1.74 0.00 0.00 68.15 68.59 1r5k h THR 483 CO 0.13 0.01 0.38 0.44 0.37 0.00 0.00 175.52 176.84 1r5k h ASP 484 N 0.03 0.44 -0.50 4.18 3.45 -0.78 -1.57 116.42 121.68 1r5k h ASP 484 Ca 0.03 0.09 -0.07 0.00 0.43 0.00 0.00 57.03 57.51 1r5k h ASP 484 Cb 0.03 0.03 -0.02 0.00 -0.56 0.00 0.00 39.33 38.80 1r5k h ASP 484 CO -0.04 0.20 0.06 0.74 -1.57 0.00 0.00 179.24 178.62 1r5k h THR 485 N 0.57 1.25 -0.46 0.35 2.02 -0.31 0.28 112.91 116.61 1r5k h THR 485 Ca 0.42 -0.98 -0.08 0.00 0.77 0.00 0.00 66.41 66.54 1r5k h THR 485 Cb 0.58 0.92 -0.02 0.00 -1.74 0.00 0.00 68.15 67.89 1r5k h THR 485 CO -0.35 0.35 -0.05 -0.07 0.37 0.00 0.00 175.52 175.77 1r5k h LEU 486 N 0.71 0.77 -0.25 2.58 3.38 -0.57 0.06 115.31 121.98 1r5k h LEU 486 Ca 0.15 -0.20 -0.14 0.00 0.09 0.00 0.00 57.88 57.78 1r5k h LEU 486 Cb 0.43 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 1r5k h LEU 486 CO 0.01 0.86 -0.38 0.40 0.09 0.00 0.00 178.44 179.42 1r5k h ILE 487 N 0.73 1.31 -0.20 1.22 1.08 -1.18 -2.35 117.51 118.11 1r5k h ILE 487 Ca 0.13 -1.58 0.06 0.00 -0.39 0.00 0.00 64.86 63.08 1r5k h ILE 487 Cb 0.51 1.70 -0.07 0.00 -3.07 0.00 0.00 36.82 35.90 1r5k h ILE 487 CO 0.03 0.50 -0.25 -0.74 -0.69 0.00 0.00 178.15 177.00 1r5k h HIS 488 N 0.44 -0.66 -0.76 1.37 2.76 -0.70 0.81 115.15 118.40 1r5k h HIS 488 Ca 0.02 0.04 0.13 0.00 -2.20 0.00 0.00 60.37 58.36 1r5k h HIS 488 Cb 0.97 0.32 -0.09 0.00 1.55 0.00 0.00 27.41 30.17 1r5k h HIS 488 CO 0.08 -0.33 0.35 -0.07 -1.30 0.00 0.00 177.93 176.66 1r5k h LEU 489 N -0.28 0.39 -0.41 0.26 3.38 -0.86 -0.74 115.31 117.06 1r5k h LEU 489 Ca 0.12 0.09 -0.16 0.00 0.09 0.00 0.00 57.88 58.02 1r5k h LEU 489 Cb 0.46 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 1r5k h LEU 489 CO -0.36 0.18 -0.45 0.24 0.09 0.00 0.00 178.44 178.14 1r5k h MET 490 N 0.53 0.85 -0.60 1.13 2.86 -0.83 -2.49 114.93 116.38 1r5k h MET 490 Ca 0.41 -0.48 -0.00 0.00 -2.06 0.00 0.00 59.70 57.57 1r5k h MET 490 Cb 0.56 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.22 1r5k h MET 490 CO -0.35 1.12 0.37 0.00 1.06 0.00 0.00 176.91 179.10 1r5k h ALA 491 N 0.81 0.76 0.00 6.32 0.00 -0.18 -2.10 119.26 124.87 1r5k h ALA 491 Ca 0.04 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1r5k h ALA 491 Cb 1.03 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1r5k h ALA 491 CO 0.10 0.23 0.00 0.87 0.00 0.00 0.00 179.25 180.45 1r5k h LYS 492 N 0.81 0.00 -0.20 0.00 1.57 -0.88 0.49 116.57 118.36 1r5k h LYS 492 Ca 0.22 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 1r5k h LYS 492 Cb -0.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.27 1r5k h LYS 492 CO -0.04 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.84 1r5k n ALA 493 N -2.02 2.48 -2.45 3.86 0.00 -0.83 -4.96 120.51 116.60 1r5k n ALA 493 Ca -0.02 -0.72 -0.02 0.00 0.00 0.00 0.00 53.44 52.68 1r5k n ALA 493 Cb 0.11 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.61 1r5k n ALA 493 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1r5k n GLY 494 N 1.33 0.73 3.84 0.00 0.00 0.16 -5.05 105.19 106.20 1r5k n GLY 494 Ca 0.17 -0.66 -0.35 0.00 0.00 0.00 0.00 46.02 45.18 1r5k n GLY 494 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1r5k s LEU 495 N -1.20 4.29 0.85 0.99 1.43 -0.98 -5.04 118.68 119.02 1r5k s LEU 495 Ca 0.03 1.21 -0.11 0.00 -1.03 0.00 0.00 54.13 54.23 1r5k s LEU 495 Cb -0.01 -3.51 0.10 0.00 0.03 0.00 0.00 46.19 42.80 1r5k s LEU 495 CO 0.04 0.03 1.10 0.42 0.23 0.00 0.00 176.35 178.16 1r5k s THR 496 N -1.58 2.88 0.26 5.49 -4.23 -1.26 -4.69 115.64 112.52 1r5k s THR 496 Ca 0.42 0.29 -0.02 0.00 -1.18 0.00 0.00 61.69 61.20 1r5k s THR 496 Cb -0.15 -2.70 0.26 0.00 1.34 0.00 0.00 72.50 71.25 1r5k s THR 496 CO 0.20 -0.37 1.87 -0.07 -0.54 0.00 0.00 174.62 175.70 1r5k h LEU 497 N -1.43 0.98 -0.84 4.79 3.38 -1.99 0.36 115.31 120.56 1r5k h LEU 497 Ca -0.46 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.51 1r5k h LEU 497 Cb 1.26 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.78 1r5k h LEU 497 CO 0.51 0.61 0.47 -0.61 0.09 0.00 0.00 178.44 179.51 1r5k h GLN 498 N 1.11 1.16 -0.14 1.13 4.15 -2.00 -1.44 115.11 119.08 1r5k h GLN 498 Ca 0.44 -0.13 -0.14 0.00 0.77 0.00 0.00 58.65 59.59 1r5k h GLN 498 Cb 0.23 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 27.68 1r5k h GLN 498 CO -0.19 0.84 -0.51 1.96 -1.93 0.00 0.00 178.83 179.00 1r5k h GLN 499 N 1.16 0.38 0.95 1.69 4.20 -1.22 -1.71 115.11 120.56 1r5k h GLN 499 Ca 0.30 -0.22 -0.05 0.00 0.06 0.00 0.00 58.65 58.74 1r5k h GLN 499 Cb 0.01 0.02 0.01 0.00 0.30 0.00 0.00 27.48 27.82 1r5k h GLN 499 CO -0.05 0.80 -0.46 1.96 -0.67 0.00 0.00 178.83 180.41 1r5k h GLN 500 N 0.30 -1.23 -0.73 1.46 4.20 0.12 -1.74 115.11 117.48 1r5k h GLN 500 Ca 0.01 0.08 0.10 0.00 0.06 0.00 0.00 58.65 58.91 1r5k h GLN 500 Cb 1.00 0.28 -0.07 0.00 0.30 0.00 0.00 27.48 28.98 1r5k h GLN 500 CO 0.09 -0.82 0.36 0.45 -0.67 0.00 0.00 178.83 178.24 1r5k h HIS 501 N -1.32 0.65 -0.54 2.96 3.86 -1.25 -0.82 115.15 118.68 1r5k h HIS 501 Ca -0.13 0.03 -0.08 0.00 -1.16 0.00 0.00 60.37 59.03 1r5k h HIS 501 Cb 0.98 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 29.25 1r5k h HIS 501 CO 0.00 0.22 0.01 1.96 0.86 0.00 0.00 177.93 180.98 1r5k h GLN 502 N 0.60 0.91 0.02 2.45 4.20 -1.24 -2.21 115.11 119.85 1r5k h GLN 502 Ca 0.37 -0.26 -0.23 0.00 0.06 0.00 0.00 58.65 58.58 1r5k h GLN 502 Cb 0.41 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.10 1r5k h GLN 502 CO -0.29 0.90 -0.99 -0.09 -0.67 0.00 0.00 178.83 177.69 1r5k h ARG 503 N 0.85 0.39 -0.66 1.46 2.43 -0.88 -1.74 114.38 116.23 1r5k h ARG 503 Ca 0.16 -0.45 0.09 0.00 -0.81 0.00 0.00 59.98 58.98 1r5k h ARG 503 Cb 0.49 0.13 -0.07 0.00 -0.42 0.00 0.00 29.97 30.10 1r5k h ARG 503 CO 0.02 1.12 0.30 1.25 -1.51 0.00 0.00 179.97 181.15 1r5k h LEU 504 N 0.21 0.35 -0.35 3.80 5.85 -0.92 -0.95 115.31 123.30 1r5k h LEU 504 Ca -0.09 0.07 -0.18 0.00 0.84 0.00 0.00 57.88 58.52 1r5k h LEU 504 Cb 1.64 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.68 1r5k h LEU 504 CO 0.17 0.20 -0.56 0.00 -0.34 0.00 0.00 178.44 177.91 1r5k h ALA 505 N 1.43 0.52 -0.59 1.25 0.00 -1.33 -1.85 119.26 118.68 1r5k h ALA 505 Ca 0.33 -0.52 0.01 0.00 0.00 0.00 0.00 54.91 54.74 1r5k h ALA 505 Cb 0.38 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1r5k h ALA 505 CO -0.29 0.68 0.38 1.96 0.00 0.00 0.00 179.25 181.99 1r5k h GLN 506 N 0.60 0.74 -0.25 0.00 4.20 -0.84 -1.21 115.11 118.36 1r5k h GLN 506 Ca 0.01 -0.04 -0.07 0.00 0.06 0.00 0.00 58.65 58.61 1r5k h GLN 506 Cb 1.16 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.76 1r5k h GLN 506 CO 0.12 0.49 -0.11 -0.07 -0.67 0.00 0.00 178.83 178.60 1r5k h LEU 507 N 0.77 0.52 -0.65 1.46 3.38 -1.05 -2.95 115.31 116.79 1r5k h LEU 507 Ca 0.23 -0.40 -0.14 0.00 0.09 0.00 0.00 57.88 57.65 1r5k h LEU 507 Cb -0.05 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 1r5k h LEU 507 CO -0.07 0.80 -0.55 -0.07 0.09 0.00 0.00 178.44 178.64 1r5k h LEU 508 N 0.23 0.39 -1.63 1.67 3.38 -1.21 -2.38 115.31 115.76 1r5k h LEU 508 Ca 0.06 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 1r5k h LEU 508 Cb 0.60 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1r5k h LEU 508 CO 0.03 0.86 -0.20 -0.07 0.09 0.00 0.00 178.44 179.16 1r5k h LEU 509 N 0.27 0.00 -1.30 1.67 3.38 -1.19 -0.32 115.31 117.82 1r5k h LEU 509 Ca 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 1r5k h LEU 509 Cb 1.06 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.79 1r5k h LEU 509 CO 0.09 0.20 -0.02 0.40 0.09 0.00 0.00 178.44 179.20 1r5k h ILE 510 N 0.00 1.18 -0.01 1.22 2.04 -1.25 -1.61 117.51 119.10 1r5k h ILE 510 Ca -0.00 -0.74 0.00 0.00 1.00 0.00 0.00 64.86 65.12 1r5k h ILE 510 Cb 0.46 0.98 -0.00 0.00 -0.74 0.00 0.00 36.82 37.53 1r5k h ILE 510 CO 0.03 0.25 0.01 -0.07 0.00 0.00 0.00 178.15 178.36 1r5k h LEU 511 N 0.44 0.00 -0.55 1.44 4.07 -0.96 0.24 115.31 119.99 1r5k h LEU 511 Ca 0.09 0.00 -0.14 0.00 0.08 0.00 0.00 57.88 57.91 1r5k h LEU 511 Cb 0.31 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.05 1r5k h LEU 511 CO 0.01 0.00 -0.35 -1.28 -1.08 0.00 0.00 178.44 175.74 1r5k h SER 512 N 0.00 0.82 0.04 -0.43 0.87 -1.33 -2.07 113.55 111.45 1r5k h SER 512 Ca 0.00 -0.35 -0.21 0.00 -1.23 0.00 0.00 61.79 59.99 1r5k h SER 512 Cb 0.02 -0.23 0.01 0.00 -0.44 0.00 0.00 62.40 61.76 1r5k h SER 512 CO -0.00 1.09 -0.80 -0.74 -0.53 0.00 0.00 176.83 175.85 1r5k h HIS 513 N 0.65 0.86 -0.65 2.24 -0.00 -0.60 -2.18 115.15 115.45 1r5k h HIS 513 Ca 0.06 -0.39 -0.05 0.00 -0.00 0.00 0.00 60.37 59.99 1r5k h HIS 513 Cb 0.90 -0.13 -0.03 0.00 -0.00 0.00 0.00 27.41 28.16 1r5k h HIS 513 CO 0.05 1.20 0.20 0.82 -0.00 0.00 0.00 177.93 180.19 1r5k h ILE 514 N 0.42 1.24 -0.37 6.26 2.04 -1.24 -0.75 117.51 125.11 1r5k h ILE 514 Ca -0.05 -0.85 0.03 0.00 1.00 0.00 0.00 64.86 64.99 1r5k h ILE 514 Cb 1.41 0.53 -0.03 0.00 -0.74 0.00 0.00 36.82 37.99 1r5k h ILE 514 CO 0.15 0.33 0.16 -0.09 0.00 0.00 0.00 178.15 178.70 1r5k h ARG 515 N 0.97 0.33 -0.45 2.37 9.65 -1.21 -1.99 114.38 124.04 1r5k h ARG 515 Ca 0.21 -0.02 0.05 0.00 -1.10 0.00 0.00 59.98 59.12 1r5k h ARG 515 Cb 0.28 -0.07 -0.04 0.00 -1.39 0.00 0.00 29.97 28.75 1r5k h ARG 515 CO -0.01 0.22 0.20 1.25 2.80 0.00 0.00 179.97 184.43 1r5k h HIS 516 N 0.34 0.36 -0.65 2.20 2.76 -0.73 -1.12 115.15 118.30 1r5k h HIS 516 Ca 0.16 0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.32 1r5k h HIS 516 Cb 0.10 -0.09 -0.03 0.00 1.55 0.00 0.00 27.41 28.94 1r5k h HIS 516 CO -0.12 0.16 0.30 0.52 -1.30 0.00 0.00 177.93 177.49 1r5k h MET 517 N 0.40 0.95 -0.49 5.26 2.86 -0.87 -0.28 114.93 122.77 1r5k h MET 517 Ca 0.20 -0.15 -0.02 0.00 -2.06 0.00 0.00 59.70 57.67 1r5k h MET 517 Cb 0.15 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.62 1r5k h MET 517 CO -0.17 0.77 0.22 1.03 1.06 0.00 0.00 176.91 179.82 1r5k h SER 518 N 0.91 0.65 -0.81 1.22 0.87 -1.12 0.27 113.55 115.55 1r5k h SER 518 Ca 0.22 -0.15 -0.00 0.00 -1.23 0.00 0.00 61.79 60.64 1r5k h SER 518 Cb 0.15 -0.17 -0.04 0.00 -0.44 0.00 0.00 62.40 61.90 1r5k h SER 518 CO -0.02 0.62 0.50 0.78 -0.53 0.00 0.00 176.83 178.18 1r5k h ASN 519 N 0.64 0.96 -0.28 6.23 2.35 -0.52 0.25 115.58 125.21 1r5k h ASN 519 Ca 0.17 -0.05 -0.06 0.00 -0.55 0.00 0.00 56.30 55.81 1r5k h ASN 519 Cb 0.15 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.27 1r5k h ASN 519 CO -0.02 0.72 -0.05 0.11 -1.65 0.00 0.00 177.43 176.55 1r5k h LYS 520 N 1.11 0.52 -0.83 0.81 6.56 -0.55 -1.53 116.57 122.67 1r5k h LYS 520 Ca 0.29 -0.19 0.00 0.00 -1.06 0.00 0.00 60.65 59.69 1r5k h LYS 520 Cb -0.07 -0.03 -0.04 0.00 -0.57 0.00 0.00 32.23 31.51 1r5k h LYS 520 CO -0.06 0.72 0.52 0.78 -2.06 0.00 0.00 179.45 179.35 1r5k h GLY 521 N 0.28 1.19 1.01 3.86 0.00 0.25 -2.05 103.07 107.61 1r5k h GLY 521 Ca 0.07 -0.48 -0.06 0.00 0.00 0.00 0.00 47.33 46.86 1r5k h GLY 521 CO 0.02 0.46 0.09 1.98 0.00 0.00 0.00 176.54 179.10 1r5k h MET 522 N 1.14 0.90 -0.41 4.80 -1.53 -0.34 -1.56 114.93 117.92 1r5k h MET 522 Ca 0.30 -0.24 0.00 0.00 -3.44 0.00 0.00 59.70 56.32 1r5k h MET 522 Cb -0.08 -0.11 -0.02 0.00 -0.55 0.00 0.00 31.60 30.85 1r5k h MET 522 CO -0.06 0.87 0.27 0.93 0.14 0.00 0.00 176.91 179.06 1r5k h GLU 523 N 0.79 0.54 -0.58 0.39 5.08 -1.01 -0.21 114.58 119.58 1r5k h GLU 523 Ca 0.17 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.40 1r5k h GLU 523 Cb 0.40 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 1r5k h GLU 523 CO 0.01 0.37 0.02 0.45 -1.00 0.00 0.00 179.01 178.86 1r5k h HIS 524 N 0.55 1.07 0.42 4.33 3.86 -1.13 -1.92 115.15 122.33 1r5k h HIS 524 Ca 0.15 -0.17 -0.01 0.00 -1.16 0.00 0.00 60.37 59.18 1r5k h HIS 524 Cb -0.05 -0.29 -0.01 0.00 1.06 0.00 0.00 27.41 28.13 1r5k h HIS 524 CO -0.04 0.94 -0.27 -0.07 0.86 0.00 0.00 177.93 179.35 1r5k h LEU 525 N 0.92 -0.69 -1.72 2.43 4.07 -1.10 0.22 115.31 119.45 1r5k h LEU 525 Ca 0.17 0.04 0.09 0.00 0.08 0.00 0.00 57.88 58.27 1r5k h LEU 525 Cb 0.51 0.21 -0.03 0.00 1.08 0.00 0.00 40.66 42.42 1r5k h LEU 525 CO 0.02 -0.43 0.36 0.22 -1.08 0.00 0.00 178.44 177.53 1r5k h TYR 526 N -0.67 0.34 0.00 1.13 5.03 -0.85 -2.39 116.97 119.56 1r5k h TYR 526 Ca -0.04 0.01 -0.22 0.00 2.58 0.00 0.00 58.73 61.06 1r5k h TYR 526 Cb 0.56 -0.11 -0.04 0.00 1.55 0.00 0.00 36.73 38.69 1r5k h TYR 526 CO -0.10 0.17 -1.51 1.03 -1.32 0.00 0.00 178.16 176.42 1r5k h SER 527 N 0.32 0.00 0.58 -2.11 0.87 -1.03 -3.31 113.55 108.88 1r5k h SER 527 Ca 0.24 0.00 -0.17 0.00 -1.23 0.00 0.00 61.79 60.63 1r5k h SER 527 Cb 0.53 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.47 1r5k h SER 527 CO -0.06 0.74 -0.76 0.24 -0.53 0.00 0.00 176.83 176.47 1r5k h MET 528 N 0.00 0.13 -7.40 2.24 2.86 -0.23 -3.47 114.93 109.06 1r5k h MET 528 Ca -0.21 -0.12 -0.48 0.00 -2.06 0.00 0.00 59.70 56.83 1r5k h MET 528 Cb 1.75 0.03 0.08 0.00 0.06 0.00 0.00 31.60 33.52 1r5k h MET 528 CO 0.06 0.83 0.35 -1.59 1.06 0.00 0.00 176.91 177.62 1r5k s LYS 529 N -3.39 2.75 0.48 1.72 -2.85 -0.93 -5.05 119.74 112.46 1r5k s LYS 529 Ca -0.02 0.28 -0.20 0.00 -1.00 0.00 0.00 55.97 55.03 1r5k s LYS 529 Cb 0.11 -2.08 -0.09 0.00 -2.06 0.00 0.00 37.83 33.71 1r5k s LYS 529 CO 0.80 -1.03 1.00 0.00 0.10 0.00 0.00 175.35 176.23 1r5k n LYS 531 N -0.97 0.61 -0.87 0.00 4.81 -1.26 -3.62 118.16 116.85 1r5k n LYS 531 Ca 0.08 0.10 -0.17 0.00 -0.87 0.00 0.00 58.31 57.45 1r5k n LYS 531 Cb 0.53 -1.80 0.05 0.00 0.02 0.00 0.00 35.03 33.83 1r5k n LYS 531 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 1r5k n ASN 532 N -2.65 5.95 -4.13 3.14 2.04 -1.26 -4.85 115.26 113.50 1r5k n ASN 532 Ca -0.01 -3.07 -0.29 0.00 -0.44 0.00 0.00 54.58 50.77 1r5k n ASN 532 Cb 0.56 -0.98 -0.17 0.00 -2.53 0.00 0.00 39.78 36.66 1r5k n ASN 532 CO 0.00 0.00 0.00 -0.69 -0.44 0.00 0.00 177.26 176.13 1r5k s VAL 533 N -2.35 1.70 -0.24 3.53 1.01 -1.24 -5.11 120.40 117.70 1r5k s VAL 533 Ca 0.33 -0.79 -0.16 0.00 0.00 0.00 0.00 61.98 61.36 1r5k s VAL 533 Cb 0.26 -1.50 -0.04 0.00 0.00 0.00 0.00 36.38 35.10 1r5k s VAL 533 CO 0.01 0.48 0.41 -0.69 0.00 0.00 0.00 175.10 175.31 1r5k s VAL 534 N 0.64 5.16 0.72 2.92 1.01 -1.26 -4.97 120.40 124.63 1r5k s VAL 534 Ca -0.13 0.69 -0.11 0.00 0.00 0.00 0.00 61.98 62.43 1r5k s VAL 534 Cb -0.16 -3.74 0.02 0.00 0.00 0.00 0.00 36.38 32.50 1r5k s VAL 534 CO 0.04 0.18 1.07 -2.16 0.00 0.00 0.00 175.10 174.22 1r5k s PRO 535 N 1.85 2.71 0.35 2.72 0.04 -1.26 -4.87 135.00 136.54 1r5k s PRO 535 Ca 0.18 0.91 0.03 0.00 0.04 0.00 0.00 61.00 62.15 1r5k s PRO 535 Cb -0.15 -1.97 0.65 0.00 0.04 0.00 0.00 34.50 33.07 1r5k s PRO 535 CO 0.09 -1.25 1.99 1.25 0.04 0.00 0.00 177.00 179.12 1r5k h LEU 536 N -0.83 0.68 -0.06 -3.56 7.12 -1.99 -2.65 115.31 114.01 1r5k h LEU 536 Ca -0.44 -0.03 0.00 0.00 0.13 0.00 0.00 57.88 57.53 1r5k h LEU 536 Cb 1.22 -0.17 -0.00 0.00 -0.53 0.00 0.00 40.66 41.18 1r5k h LEU 536 CO 0.57 0.52 0.04 0.10 -0.13 0.00 0.00 178.44 179.54 1r5k h TYR 537 N 0.79 0.08 -0.05 1.25 -0.00 -1.99 -0.61 116.97 116.44 1r5k h TYR 537 Ca 0.21 0.00 0.04 0.00 0.00 0.00 0.00 58.73 58.98 1r5k h TYR 537 Cb -0.04 -0.03 -0.05 0.00 0.00 0.00 0.00 36.73 36.61 1r5k h TYR 537 CO 0.00 0.07 -0.29 -0.44 -0.00 0.00 0.00 178.16 177.50 1r5k h ASP 538 N 0.08 -0.87 -0.73 0.10 3.32 -1.88 -2.30 116.42 114.14 1r5k h ASP 538 Ca 0.02 0.12 0.14 0.00 0.02 0.00 0.00 57.03 57.33 1r5k h ASP 538 Cb 0.00 0.36 -0.09 0.00 0.22 0.00 0.00 39.33 39.82 1r5k h ASP 538 CO -0.00 -0.35 0.27 -0.07 -1.72 0.00 0.00 179.24 177.37 1r5k h LEU 539 N -0.41 0.24 -0.67 1.55 3.38 -1.11 -1.54 115.31 116.75 1r5k h LEU 539 Ca 0.08 0.11 -0.12 0.00 0.09 0.00 0.00 57.88 58.03 1r5k h LEU 539 Cb 0.52 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 1r5k h LEU 539 CO -0.28 0.09 -0.28 -0.07 0.09 0.00 0.00 178.44 177.99 1r5k h LEU 540 N 0.42 0.75 0.51 1.67 3.38 -0.63 -3.26 115.31 118.14 1r5k h LEU 540 Ca 0.40 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 1r5k h LEU 540 Cb 0.60 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1r5k h LEU 540 CO -0.40 0.99 -0.24 -0.07 0.09 0.00 0.00 178.44 178.80 1r5k h LEU 541 N 0.63 -0.58 -7.38 1.67 -0.00 -0.76 -3.27 115.31 105.62 1r5k h LEU 541 Ca 0.08 0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.98 1r5k h LEU 541 Cb 0.79 0.15 0.00 0.00 -0.00 0.00 0.00 40.66 41.60 1r5k h LEU 541 CO 0.07 -0.33 0.82 -0.62 -0.00 0.00 0.00 178.44 178.37 1r5k n GLU 542 N -4.28 0.00 -3.65 1.13 1.02 -0.98 -4.68 120.64 109.20 1r5k n GLU 542 Ca -0.08 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.04 1r5k n GLU 542 Cb 0.27 -0.92 -0.05 0.00 -0.02 0.00 0.00 31.44 30.72 1r5k n GLU 542 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 1r5k s MET 543 N 4.19 0.04 0.00 3.49 -1.94 -1.23 -4.93 119.30 118.92 1r5k s MET 543 Ca 0.00 0.02 0.00 0.00 -1.71 0.00 0.00 55.69 54.00 1r5k s MET 543 Cb 0.00 0.02 0.00 0.00 2.01 0.00 0.00 34.83 36.86 1r5k s MET 543 CO 0.00 -0.01 0.32 -0.11 -0.01 0.00 0.00 175.02 175.21