#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r6y h ALA 307 N 0.00 2.53 0.00 1.47 0.00 -1.98 0.41 119.26 121.68 2r6y h ALA 307 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2r6y h ALA 307 Cb 0.00 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2r6y h ALA 307 CO 0.00 -0.71 0.00 1.28 0.00 0.00 0.00 179.25 179.82 2r6y n LEU 308 N -4.37 0.32 -0.50 0.00 4.77 -1.26 -2.64 117.00 113.32 2r6y n LEU 308 Ca 0.12 0.55 0.12 0.00 -0.03 0.00 0.00 56.01 56.77 2r6y n LEU 308 Cb 0.68 -0.47 0.20 0.00 -2.33 0.00 0.00 43.42 41.49 2r6y n LEU 308 CO 0.37 -0.21 0.54 -1.54 -1.33 0.00 0.00 177.39 175.22 2r6y n SER 309 N -1.82 1.83 -4.77 -1.43 3.41 0.13 -4.95 113.62 106.02 2r6y n SER 309 Ca 0.05 -1.41 -0.40 0.00 -0.26 0.00 0.00 58.87 56.85 2r6y n SER 309 Cb 0.30 0.23 -0.02 0.00 -0.26 0.00 0.00 64.21 64.46 2r6y n SER 309 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2r6y s LEU 310 N -2.34 4.32 0.67 1.04 1.43 -1.08 -5.03 118.68 117.69 2r6y s LEU 310 Ca 0.24 2.57 -0.11 0.00 -1.03 0.00 0.00 54.13 55.81 2r6y s LEU 310 Cb 0.19 -3.81 -0.00 0.00 0.03 0.00 0.00 46.19 42.60 2r6y s LEU 310 CO 0.48 -0.64 1.07 0.42 0.23 0.00 0.00 176.35 177.91 2r6y s THR 311 N -1.24 3.85 0.20 5.49 -4.23 -1.26 -4.85 115.64 113.59 2r6y s THR 311 Ca 0.53 0.57 -0.13 0.00 -1.18 0.00 0.00 61.69 61.48 2r6y s THR 311 Cb -0.37 -3.59 0.16 0.00 1.34 0.00 0.00 72.50 70.04 2r6y s THR 311 CO 0.48 -0.77 1.67 0.00 -0.54 0.00 0.00 174.62 175.45 2r6y h ALA 312 N -0.53 0.48 -0.91 3.99 0.00 -1.94 0.11 119.26 120.46 2r6y h ALA 312 Ca -0.45 0.18 0.06 0.00 0.00 0.00 0.00 54.91 54.70 2r6y h ALA 312 Cb 1.24 0.32 -0.06 0.00 0.00 0.00 0.00 17.79 19.28 2r6y h ALA 312 CO 0.63 -0.40 0.58 -0.44 0.00 0.00 0.00 179.25 179.61 2r6y h ASP 313 N 0.08 0.92 0.24 0.00 3.32 -1.96 -0.88 116.42 118.14 2r6y h ASP 313 Ca 0.27 0.01 -0.20 0.00 0.02 0.00 0.00 57.03 57.14 2r6y h ASP 313 Cb 0.43 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.79 2r6y h ASP 313 CO -0.48 0.59 -0.80 1.56 -1.72 0.00 0.00 179.24 178.39 2r6y h GLN 314 N 1.05 0.45 0.09 3.56 4.20 -1.80 -0.66 115.11 122.00 2r6y h GLN 314 Ca 0.39 -0.40 0.02 0.00 0.06 0.00 0.00 58.65 58.72 2r6y h GLN 314 Cb 0.15 0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.00 2r6y h GLN 314 CO -0.17 1.04 -0.20 1.98 -0.67 0.00 0.00 178.83 180.81 2r6y h MET 315 N 0.29 -0.36 -0.28 1.46 4.05 -0.57 0.10 114.93 119.63 2r6y h MET 315 Ca -0.05 0.02 0.03 0.00 -0.28 0.00 0.00 59.70 59.43 2r6y h MET 315 Cb 1.40 0.08 -0.03 0.00 -0.80 0.00 0.00 31.60 32.25 2r6y h MET 315 CO 0.14 -0.24 0.08 0.28 0.23 0.00 0.00 176.91 177.40 2r6y h VAL 316 N -0.37 0.91 -0.70 -5.77 2.07 -1.12 -0.92 116.25 110.35 2r6y h VAL 316 Ca 0.03 -0.07 0.01 0.00 0.82 0.00 0.00 66.70 67.49 2r6y h VAL 316 Cb 0.40 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 30.82 2r6y h VAL 316 CO -0.12 0.04 0.46 0.28 0.02 0.00 0.00 177.57 178.25 2r6y h SER 317 N 0.20 0.79 -0.46 0.57 0.02 -0.96 0.12 113.55 113.83 2r6y h SER 317 Ca 0.13 -0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 61.03 2r6y h SER 317 Cb 0.11 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.43 2r6y h SER 317 CO -0.14 0.57 0.19 0.00 -1.14 0.00 0.00 176.83 176.31 2r6y h ALA 318 N 1.26 0.60 -0.24 3.77 0.00 -0.58 -0.46 119.26 123.61 2r6y h ALA 318 Ca 0.26 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 2r6y h ALA 318 Cb -0.09 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 2r6y h ALA 318 CO -0.06 0.21 0.01 -0.07 0.00 0.00 0.00 179.25 179.33 2r6y h LEU 319 N 0.61 0.41 -0.52 0.00 3.38 -0.67 -1.64 115.31 116.89 2r6y h LEU 319 Ca 0.16 -0.30 0.06 0.00 0.09 0.00 0.00 57.88 57.89 2r6y h LEU 319 Cb 0.19 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 40.77 2r6y h LEU 319 CO -0.01 0.61 0.22 -0.07 0.09 0.00 0.00 178.44 179.27 2r6y h LEU 320 N 0.20 0.26 -1.49 1.67 3.38 -0.69 -2.66 115.31 115.97 2r6y h LEU 320 Ca 0.07 0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.11 2r6y h LEU 320 Cb 0.40 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 2r6y h LEU 320 CO 0.01 0.18 0.37 0.44 0.09 0.00 0.00 178.44 179.52 2r6y h ASP 321 N 0.42 0.58 0.88 -0.43 3.32 -0.93 -2.80 116.42 117.45 2r6y h ASP 321 Ca 0.24 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.28 2r6y h ASP 321 Cb 0.22 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.64 2r6y h ASP 321 CO -0.22 0.40 0.00 0.00 -1.72 0.00 0.00 179.24 177.71 2r6y n ALA 322 N -2.46 1.77 -1.62 3.45 0.00 -0.63 -4.91 120.51 116.11 2r6y n ALA 322 Ca 0.06 0.07 -0.50 0.00 0.00 0.00 0.00 53.44 53.08 2r6y n ALA 322 Cb 0.11 -1.41 -0.05 0.00 0.00 0.00 0.00 19.45 18.09 2r6y n ALA 322 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2r6y n GLU 323 N -2.29 1.48 -1.49 0.00 -0.58 -1.06 -4.46 120.64 112.24 2r6y n GLU 323 Ca 0.03 0.53 -0.29 0.00 -0.42 0.00 0.00 57.16 57.01 2r6y n GLU 323 Cb 0.27 -2.21 0.13 0.00 -0.57 0.00 0.00 31.44 29.07 2r6y n GLU 323 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 2r6y s PRO 324 N 0.53 1.18 0.72 3.49 0.04 -1.26 -5.03 135.00 134.68 2r6y s PRO 324 Ca 0.82 0.37 -0.11 0.00 0.04 0.00 0.00 61.00 62.12 2r6y s PRO 324 Cb -0.86 -1.84 0.02 0.00 0.04 0.00 0.00 34.50 31.87 2r6y s PRO 324 CO 0.44 -2.19 1.08 -1.25 0.04 0.00 0.00 177.00 175.13 2r6y s PRO 325 N -5.22 2.73 -0.36 0.56 0.04 -1.26 -5.03 135.00 126.45 2r6y s PRO 325 Ca 0.64 0.64 -0.25 0.00 0.04 0.00 0.00 61.00 62.07 2r6y s PRO 325 Cb -0.15 -1.99 0.01 0.00 0.04 0.00 0.00 34.50 32.41 2r6y s PRO 325 CO 0.54 -1.17 0.86 0.42 0.04 0.00 0.00 177.00 177.69 2r6y s ILE 326 N -3.22 4.67 0.45 0.56 1.01 -1.26 -5.06 121.20 118.35 2r6y s ILE 326 Ca 0.59 1.08 -0.04 0.00 0.00 0.00 0.00 60.65 62.28 2r6y s ILE 326 Cb -0.13 -4.26 -0.04 0.00 0.01 0.00 0.00 42.46 38.04 2r6y s ILE 326 CO 0.53 -0.46 0.72 -0.76 0.00 0.00 0.00 174.94 174.97 2r6y s LEU 327 N 3.27 3.73 0.14 2.97 1.43 -1.26 -4.98 118.68 123.97 2r6y s LEU 327 Ca 0.35 0.80 -0.01 0.00 -1.03 0.00 0.00 54.13 54.24 2r6y s LEU 327 Cb -0.13 -3.73 -0.04 0.00 0.03 0.00 0.00 46.19 42.32 2r6y s LEU 327 CO 0.17 -0.50 0.31 -0.31 0.23 0.00 0.00 176.35 176.25 2r6y s TYR 328 N -2.63 3.49 0.59 0.29 1.51 -1.26 -4.37 117.35 114.98 2r6y s TYR 328 Ca 0.45 0.32 -0.18 0.00 -1.01 0.00 0.00 57.07 56.65 2r6y s TYR 328 Cb -0.10 -1.82 -0.03 0.00 -0.11 0.00 0.00 41.96 39.90 2r6y s TYR 328 CO 0.42 0.48 1.15 0.45 -1.11 0.00 0.00 175.55 176.95 2r6y s SER 329 N -2.82 5.35 -0.45 2.29 0.15 -1.26 -4.91 113.70 112.06 2r6y s SER 329 Ca 0.37 2.21 0.04 0.00 0.70 0.00 0.00 55.95 59.26 2r6y s SER 329 Cb -0.12 -2.58 0.12 0.00 -1.71 0.00 0.00 66.02 61.73 2r6y s SER 329 CO 0.28 -1.47 0.19 -0.70 1.20 0.00 0.00 173.24 172.73 2r6y s GLU 330 N -3.51 1.69 0.07 5.44 2.12 -1.26 -4.98 118.70 118.27 2r6y s GLU 330 Ca 0.73 -2.25 -0.26 0.00 0.36 0.00 0.00 54.97 53.54 2r6y s GLU 330 Cb -0.25 -3.11 0.07 0.00 0.26 0.00 0.00 34.13 31.10 2r6y s GLU 330 CO 0.33 -1.06 0.64 1.52 -0.54 0.00 0.00 175.26 176.15 2r6y s TYR 331 N 0.24 -0.58 -0.24 5.30 -0.85 -1.26 -5.01 117.35 114.94 2r6y s TYR 331 Ca 0.15 0.64 -0.29 0.00 -0.52 0.00 0.00 57.07 57.05 2r6y s TYR 331 Cb -0.23 0.50 -0.02 0.00 0.38 0.00 0.00 41.96 42.59 2r6y s TYR 331 CO -0.04 -0.75 1.56 0.34 -1.52 0.00 0.00 175.55 175.14 2r6y s ASP 332 N -2.13 6.42 -1.01 -0.18 2.15 -1.26 -5.26 116.67 115.40 2r6y s ASP 332 Ca -0.04 1.52 -0.18 0.00 0.43 0.00 0.00 52.55 54.29 2r6y s ASP 332 Cb -0.01 -2.53 0.14 0.00 -0.30 0.00 0.00 42.92 40.22 2r6y s ASP 332 CO -0.04 -1.24 1.24 -2.16 -0.17 0.00 0.00 175.17 172.80 2r6y s PRO 333 N 4.61 3.73 0.94 4.34 0.04 -1.26 -5.32 135.00 142.08 2r6y s PRO 333 Ca 0.69 -1.95 -0.12 0.00 0.04 0.00 0.00 61.00 59.66 2r6y s PRO 333 Cb -0.23 -4.99 0.16 0.00 0.04 0.00 0.00 34.50 29.47 2r6y s PRO 333 CO 0.28 -1.80 1.09 -1.54 0.04 0.00 0.00 177.00 175.07 2r6y s SER 341 N 3.51 3.10 0.21 6.66 1.04 -1.26 -5.34 113.70 121.62 2r6y s SER 341 Ca 0.36 1.32 -0.10 0.00 0.48 0.00 0.00 55.95 58.01 2r6y s SER 341 Cb -0.04 -1.99 0.15 0.00 0.10 0.00 0.00 66.02 64.24 2r6y s SER 341 CO -0.07 -2.85 1.85 -0.03 0.98 0.00 0.00 173.24 173.13 2r6y h MET 342 N -1.70 1.01 -0.55 4.02 4.05 -2.00 -2.37 114.93 117.40 2r6y h MET 342 Ca -0.52 -0.09 -0.03 0.00 -0.28 0.00 0.00 59.70 58.78 2r6y h MET 342 Cb 1.31 -0.21 -0.03 0.00 -0.80 0.00 0.00 31.60 31.87 2r6y h MET 342 CO 0.56 0.71 0.20 1.98 0.23 0.00 0.00 176.91 180.59 2r6y h MET 343 N 1.02 0.80 -0.25 0.39 1.85 -2.01 -0.77 114.93 115.96 2r6y h MET 343 Ca 0.27 -0.13 0.01 0.00 -0.61 0.00 0.00 59.70 59.24 2r6y h MET 343 Cb -0.04 -0.14 -0.02 0.00 0.43 0.00 0.00 31.60 31.83 2r6y h MET 343 CO -0.05 0.67 0.14 0.78 -0.40 0.00 0.00 176.91 178.05 2r6y h GLY 344 N 0.93 0.34 0.73 1.39 0.00 -1.88 0.03 103.07 104.61 2r6y h GLY 344 Ca 0.18 -0.11 0.03 0.00 0.00 0.00 0.00 47.33 47.44 2r6y h GLY 344 CO -0.01 0.10 0.03 1.41 0.00 0.00 0.00 176.54 178.07 2r6y h LEU 345 N 0.29 -0.01 -0.68 3.11 3.38 -0.95 -0.94 115.31 119.52 2r6y h LEU 345 Ca 0.10 0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.11 2r6y h LEU 345 Cb -0.00 0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 2r6y h LEU 345 CO -0.05 0.02 0.45 -0.07 0.09 0.00 0.00 178.44 178.89 2r6y h LEU 346 N 0.11 0.78 -0.20 1.67 3.38 -1.06 -1.24 115.31 118.75 2r6y h LEU 346 Ca 0.10 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 2r6y h LEU 346 Cb 0.10 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 2r6y h LEU 346 CO -0.14 0.56 0.01 0.74 0.09 0.00 0.00 178.44 179.70 2r6y h THR 347 N 0.92 1.24 -0.86 0.22 2.02 -0.77 0.35 112.91 116.04 2r6y h THR 347 Ca 0.25 -0.81 -0.02 0.00 0.77 0.00 0.00 66.41 66.59 2r6y h THR 347 Cb -0.11 1.40 -0.04 0.00 -1.74 0.00 0.00 68.15 67.66 2r6y h THR 347 CO -0.05 0.25 0.44 -1.13 0.37 0.00 0.00 175.52 175.39 2r6y h ASN 348 N 0.11 1.10 0.65 4.18 -0.73 -1.02 -0.34 115.58 119.53 2r6y h ASN 348 Ca 0.06 -0.12 -0.03 0.00 1.87 0.00 0.00 56.30 58.08 2r6y h ASN 348 Cb 0.36 -0.28 0.00 0.00 0.27 0.00 0.00 38.32 38.67 2r6y h ASN 348 CO 0.01 0.91 -0.33 0.25 -0.37 0.00 0.00 177.43 177.90 2r6y h LEU 349 N 1.21 -0.78 -0.84 0.34 5.85 -1.03 -2.14 115.31 117.91 2r6y h LEU 349 Ca 0.30 0.03 0.07 0.00 0.84 0.00 0.00 57.88 59.11 2r6y h LEU 349 Cb 0.08 0.21 -0.06 0.00 0.37 0.00 0.00 40.66 41.25 2r6y h LEU 349 CO -0.04 -0.54 0.51 0.00 -0.34 0.00 0.00 178.44 178.03 2r6y h ALA 350 N -0.54 1.16 -0.40 1.25 0.00 -0.64 -1.35 119.26 118.74 2r6y h ALA 350 Ca -0.09 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 2r6y h ALA 350 Cb 0.69 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2r6y h ALA 350 CO 0.14 0.24 -0.01 -0.44 0.00 0.00 0.00 179.25 179.17 2r6y h ASP 351 N 0.93 0.61 0.03 0.00 3.32 -0.99 -1.40 116.42 118.91 2r6y h ASP 351 Ca 0.37 -0.13 -0.22 0.00 0.02 0.00 0.00 57.03 57.07 2r6y h ASP 351 Cb 0.20 -0.16 0.01 0.00 0.22 0.00 0.00 39.33 39.60 2r6y h ASP 351 CO -0.18 0.69 -0.81 0.03 -1.72 0.00 0.00 179.24 177.25 2r6y h ARG 352 N 0.61 0.64 0.00 3.56 3.08 -0.69 -3.08 114.38 118.51 2r6y h ARG 352 Ca 0.12 -0.55 -0.04 0.00 0.07 0.00 0.00 59.98 59.58 2r6y h ARG 352 Cb 0.40 0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.57 2r6y h ARG 352 CO 0.02 1.17 -0.19 0.93 -1.07 0.00 0.00 179.97 180.82 2r6y h GLU 353 N 0.42 0.00 -0.46 0.04 5.08 -0.95 -3.00 114.58 115.72 2r6y h GLU 353 Ca -0.06 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.37 2r6y h GLU 353 Cb 1.42 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.62 2r6y h GLU 353 CO 0.16 0.19 0.14 1.25 -1.00 0.00 0.00 179.01 179.75 2r6y h LEU 354 N 0.00 0.12 -0.48 1.33 5.85 -1.17 0.23 115.31 121.20 2r6y h LEU 354 Ca -0.00 0.06 0.07 0.00 0.84 0.00 0.00 57.88 58.85 2r6y h LEU 354 Cb 0.39 0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.41 2r6y h LEU 354 CO 0.03 0.10 0.12 0.58 -0.34 0.00 0.00 178.44 178.92 2r6y h VAL 355 N 0.30 0.77 0.00 1.05 2.07 -1.62 0.31 116.25 119.14 2r6y h VAL 355 Ca 0.22 -0.09 -0.11 0.00 0.82 0.00 0.00 66.70 67.54 2r6y h VAL 355 Cb 0.24 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 2r6y h VAL 355 CO -0.24 0.05 -0.50 0.45 0.02 0.00 0.00 177.57 177.35 2r6y h HIS 356 N 0.27 0.00 -0.83 1.57 3.86 -1.45 -3.04 115.15 115.53 2r6y h HIS 356 Ca 0.23 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.41 2r6y h HIS 356 Cb 0.29 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.72 2r6y h HIS 356 CO -0.20 0.50 0.37 1.98 0.86 0.00 0.00 177.93 181.44 2r6y h MET 357 N 0.00 1.22 -0.78 2.45 -1.53 0.15 -0.77 114.93 115.66 2r6y h MET 357 Ca -0.01 -0.20 0.03 0.00 -3.44 0.00 0.00 59.70 56.08 2r6y h MET 357 Cb 0.94 -0.21 -0.05 0.00 -0.55 0.00 0.00 31.60 31.73 2r6y h MET 357 CO 0.07 0.96 0.50 0.82 0.14 0.00 0.00 176.91 179.39 2r6y h ILE 358 N 1.19 1.13 -0.52 1.77 2.04 -1.18 0.17 117.51 122.11 2r6y h ILE 358 Ca 0.28 -0.34 -0.01 0.00 1.00 0.00 0.00 64.86 65.79 2r6y h ILE 358 Cb 0.17 0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.28 2r6y h ILE 358 CO -0.03 0.18 0.28 0.78 0.00 0.00 0.00 178.15 179.36 2r6y h ASN 359 N 0.99 0.65 -0.48 1.72 2.35 -1.41 -1.67 115.58 117.73 2r6y h ASN 359 Ca 0.31 -0.09 0.02 0.00 -0.55 0.00 0.00 56.30 55.98 2r6y h ASN 359 Cb -0.01 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.16 2r6y h ASN 359 CO -0.10 0.56 0.29 -0.25 -1.65 0.00 0.00 177.43 176.28 2r6y h TRP 360 N 0.69 0.55 -0.58 1.19 7.01 -0.86 -3.04 115.95 120.91 2r6y h TRP 360 Ca 0.18 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.18 2r6y h TRP 360 Cb 0.05 -0.18 -0.03 0.00 -2.10 0.00 0.00 29.16 26.91 2r6y h TRP 360 CO -0.02 0.32 0.27 0.00 -2.79 0.00 0.00 178.44 176.22 2r6y h ALA 361 N 1.21 0.75 -0.03 2.65 0.00 -0.22 0.50 119.26 124.11 2r6y h ALA 361 Ca 0.19 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.97 2r6y h ALA 361 Cb 0.00 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 2r6y h ALA 361 CO -0.08 0.33 0.10 0.87 0.00 0.00 0.00 179.25 180.46 2r6y h LYS 362 N 0.79 0.00 -0.01 0.00 1.57 -1.27 -1.13 116.57 116.53 2r6y h LYS 362 Ca 0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 2r6y h LYS 362 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.44 2r6y h LYS 362 CO -0.02 0.00 -0.49 0.54 -0.57 0.00 0.00 179.45 178.91 2r6y n ARG 363 N -3.31 0.64 -2.40 3.15 5.12 0.13 -4.48 116.66 115.51 2r6y n ARG 363 Ca -0.02 -0.46 -0.42 0.00 -1.93 0.00 0.00 57.85 55.02 2r6y n ARG 363 Cb 0.17 -1.49 -0.03 0.00 -1.16 0.00 0.00 32.46 29.96 2r6y n ARG 363 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2r6y s VAL 364 N -2.67 4.15 0.21 1.55 1.01 -0.43 -4.83 120.40 119.39 2r6y s VAL 364 Ca 0.17 1.47 -0.32 0.00 0.00 0.00 0.00 61.98 63.30 2r6y s VAL 364 Cb 0.18 -3.95 -0.14 0.00 0.00 0.00 0.00 36.38 32.47 2r6y s VAL 364 CO 0.63 -0.03 1.36 -2.65 0.00 0.00 0.00 175.10 174.41 2r6y n PRO 365 N 5.54 1.79 0.00 2.72 -0.02 -1.26 -1.90 135.00 141.87 2r6y n PRO 365 Ca 0.12 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 2r6y n PRO 365 Cb 0.45 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 2r6y n PRO 365 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2r6y n GLY 366 N 2.22 3.23 0.07 -1.23 0.00 -1.26 -4.92 105.19 103.31 2r6y n GLY 366 Ca 0.13 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.02 2r6y n GLY 366 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2r6y h PHE 367 N 0.00 0.08 0.00 1.61 3.57 -1.66 -3.10 116.94 117.43 2r6y h PHE 367 Ca 0.00 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.48 2r6y h PHE 367 Cb 0.00 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 38.72 2r6y h PHE 367 CO 0.00 0.48 0.00 -0.39 -2.23 0.00 0.00 178.31 176.17 2r6y h VAL 368 N -0.35 0.00 0.00 1.41 -1.51 -1.78 -2.19 116.25 111.82 2r6y h VAL 368 Ca 0.01 -0.30 0.00 0.00 -1.23 0.00 0.00 66.70 65.18 2r6y h VAL 368 Cb 0.46 1.15 0.00 0.00 -2.13 0.00 0.00 31.29 30.77 2r6y h VAL 368 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 177.57 176.81 2r6y n ASP 369 N -2.69 0.23 -4.92 4.19 8.00 -1.17 -4.79 116.55 115.39 2r6y n ASP 369 Ca 0.01 0.56 -0.26 0.00 0.71 0.00 0.00 54.79 55.81 2r6y n ASP 369 Cb 0.22 -0.61 0.03 0.00 -0.02 0.00 0.00 41.12 40.75 2r6y n ASP 369 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2r6y s LEU 370 N -3.52 3.23 0.88 0.64 1.43 -0.83 -5.06 118.68 115.45 2r6y s LEU 370 Ca 0.05 0.64 -0.10 0.00 -1.03 0.00 0.00 54.13 53.69 2r6y s LEU 370 Cb 0.08 -3.46 0.12 0.00 0.03 0.00 0.00 46.19 42.97 2r6y s LEU 370 CO 0.28 -1.08 1.12 0.42 0.23 0.00 0.00 176.35 177.31 2r6y s THR 371 N -2.97 2.51 0.14 5.49 -4.23 -1.26 -4.81 115.64 110.51 2r6y s THR 371 Ca 0.54 0.17 -0.17 0.00 -1.18 0.00 0.00 61.69 61.04 2r6y s THR 371 Cb -0.10 -2.37 -0.01 0.00 1.34 0.00 0.00 72.50 71.36 2r6y s THR 371 CO 0.44 -0.22 1.76 0.25 -0.54 0.00 0.00 174.62 176.31 2r6y h LEU 372 N -1.65 0.15 -0.61 4.79 6.46 -1.97 -1.48 115.31 121.00 2r6y h LEU 372 Ca -0.44 0.03 0.11 0.00 -0.12 0.00 0.00 57.88 57.46 2r6y h LEU 372 Cb 1.26 0.01 -0.09 0.00 -0.73 0.00 0.00 40.66 41.11 2r6y h LEU 372 CO 0.46 0.12 0.14 -0.74 -0.62 0.00 0.00 178.44 177.80 2r6y h HIS 373 N 0.26 0.22 -0.27 1.25 2.76 -1.99 -1.06 115.15 116.32 2r6y h HIS 373 Ca 0.13 0.04 -0.17 0.00 -2.20 0.00 0.00 60.37 58.17 2r6y h HIS 373 Cb 0.08 -0.01 -0.00 0.00 1.55 0.00 0.00 27.41 29.03 2r6y h HIS 373 CO -0.12 -0.02 -0.50 -0.44 -1.30 0.00 0.00 177.93 175.54 2r6y h ASP 374 N 0.27 0.82 -0.59 3.26 5.19 -1.88 -1.14 116.42 122.35 2r6y h ASP 374 Ca 0.32 -0.42 0.06 0.00 -0.62 0.00 0.00 57.03 56.37 2r6y h ASP 374 Cb 0.48 -0.23 -0.05 0.00 0.18 0.00 0.00 39.33 39.70 2r6y h ASP 374 CO -0.40 1.18 0.31 1.56 -3.12 0.00 0.00 179.24 178.76 2r6y h GLN 375 N 0.59 0.56 -0.36 3.56 4.20 -0.95 -0.76 115.11 121.95 2r6y h GLN 375 Ca 0.02 -0.03 -0.10 0.00 0.06 0.00 0.00 58.65 58.60 2r6y h GLN 375 Cb 1.08 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.72 2r6y h GLN 375 CO 0.11 0.37 -0.16 0.28 -0.67 0.00 0.00 178.83 178.76 2r6y h VAL 376 N 0.58 1.28 -0.54 -0.54 2.07 -1.02 -2.42 116.25 115.67 2r6y h VAL 376 Ca 0.27 -1.27 0.02 0.00 0.82 0.00 0.00 66.70 66.54 2r6y h VAL 376 Cb 0.18 1.34 -0.03 0.00 -1.52 0.00 0.00 31.29 31.26 2r6y h VAL 376 CO -0.18 0.42 0.33 -0.74 0.02 0.00 0.00 177.57 177.42 2r6y h HIS 377 N 0.54 0.63 -0.38 1.57 -0.00 -1.03 0.14 115.15 116.61 2r6y h HIS 377 Ca 0.08 0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.46 2r6y h HIS 377 Cb 0.69 -0.21 -0.02 0.00 -0.00 0.00 0.00 27.41 27.88 2r6y h HIS 377 CO 0.06 0.37 0.20 -0.07 -0.00 0.00 0.00 177.93 178.49 2r6y h LEU 378 N 0.67 0.49 -0.38 0.26 3.38 -1.03 -1.81 115.31 116.89 2r6y h LEU 378 Ca 0.21 -0.10 -0.17 0.00 0.09 0.00 0.00 57.88 57.92 2r6y h LEU 378 Cb -0.01 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 2r6y h LEU 378 CO -0.08 0.45 -0.42 -0.07 0.09 0.00 0.00 178.44 178.41 2r6y h LEU 379 N 0.49 0.99 -1.34 1.67 3.38 -1.28 -2.21 115.31 117.01 2r6y h LEU 379 Ca 0.13 -0.47 0.05 0.00 0.09 0.00 0.00 57.88 57.69 2r6y h LEU 379 Cb 0.08 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.50 2r6y h LEU 379 CO -0.02 1.27 0.49 -0.08 0.09 0.00 0.00 178.44 180.19 2r6y h GLU 380 N 0.74 0.80 -0.12 1.13 4.81 -0.56 -0.46 114.58 120.93 2r6y h GLU 380 Ca 0.05 -0.05 -0.17 0.00 -0.13 0.00 0.00 59.36 59.06 2r6y h GLU 380 Cb 1.02 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.21 2r6y h GLU 380 CO 0.10 0.53 -0.65 1.03 -0.73 0.00 0.00 179.01 179.29 2r6y h SER 381 N 0.82 0.54 0.00 1.04 0.87 -1.17 -3.39 113.55 112.25 2r6y h SER 381 Ca 0.31 -0.32 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 2r6y h SER 381 Cb 0.19 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 61.99 2r6y h SER 381 CO -0.10 1.04 -0.81 0.00 -0.53 0.00 0.00 176.83 176.43 2r6y n ALA 382 N -2.51 2.99 -0.29 6.23 0.00 -0.84 -4.66 120.51 121.43 2r6y n ALA 382 Ca -0.04 -0.27 0.10 0.00 0.00 0.00 0.00 53.44 53.23 2r6y n ALA 382 Cb 0.66 -0.36 0.26 0.00 0.00 0.00 0.00 19.45 20.00 2r6y n ALA 382 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.50 177.61 2r6y h TRP 383 N 0.00 0.64 -0.04 0.00 5.08 -1.31 -0.05 115.95 120.27 2r6y h TRP 383 Ca 0.00 0.04 -0.20 0.00 1.08 0.00 0.00 58.89 59.81 2r6y h TRP 383 Cb 0.32 -0.15 -0.00 0.00 -3.00 0.00 0.00 29.16 26.32 2r6y h TRP 383 CO 0.00 0.03 -0.83 1.25 -1.28 0.00 0.00 178.44 177.61 2r6y h LEU 384 N 0.46 0.47 -0.99 0.11 5.85 -1.86 -0.24 115.31 119.11 2r6y h LEU 384 Ca 0.50 -0.34 -0.00 0.00 0.84 0.00 0.00 57.88 58.87 2r6y h LEU 384 Cb 0.86 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.70 2r6y h LEU 384 CO -0.46 1.11 0.56 -0.33 -0.34 0.00 0.00 178.44 178.98 2r6y h GLU 385 N 0.23 1.26 -0.20 1.25 5.08 -1.68 -0.06 114.58 120.47 2r6y h GLU 385 Ca -0.05 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.18 2r6y h GLU 385 Cb 1.44 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 2r6y h GLU 385 CO 0.14 0.88 0.05 0.82 -1.00 0.00 0.00 179.01 179.89 2r6y h ILE 386 N 1.28 1.21 -0.46 3.13 2.04 -0.68 0.16 117.51 124.19 2r6y h ILE 386 Ca 0.33 -0.66 0.05 0.00 1.00 0.00 0.00 64.86 65.58 2r6y h ILE 386 Cb -0.06 1.27 -0.05 0.00 -0.74 0.00 0.00 36.82 37.25 2r6y h ILE 386 CO -0.06 0.21 0.18 -0.07 0.00 0.00 0.00 178.15 178.41 2r6y h LEU 387 N 0.13 0.22 -0.48 1.44 3.38 -0.89 -2.51 115.31 116.61 2r6y h LEU 387 Ca 0.06 0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 2r6y h LEU 387 Cb 0.27 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 2r6y h LEU 387 CO 0.00 0.16 0.16 0.24 0.09 0.00 0.00 178.44 179.09 2r6y h MET 388 N 0.37 0.74 -0.42 1.13 2.86 -0.97 -1.48 114.93 117.17 2r6y h MET 388 Ca 0.21 -0.15 -0.09 0.00 -2.06 0.00 0.00 59.70 57.60 2r6y h MET 388 Cb 0.19 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.72 2r6y h MET 388 CO -0.20 0.69 -0.12 0.97 1.06 0.00 0.00 176.91 179.31 2r6y h ILE 389 N 0.64 1.26 -0.42 -1.22 2.10 -0.89 -0.42 117.51 118.54 2r6y h ILE 389 Ca 0.16 -1.18 -0.01 0.00 1.08 0.00 0.00 64.86 64.91 2r6y h ILE 389 Cb 0.26 1.07 -0.02 0.00 -1.09 0.00 0.00 36.82 37.04 2r6y h ILE 389 CO -0.01 0.40 0.24 1.23 -1.08 0.00 0.00 178.15 178.94 2r6y h GLY 390 N 0.97 0.63 0.96 8.18 0.00 -1.38 0.36 103.07 112.79 2r6y h GLY 390 Ca 0.11 -0.27 0.01 0.00 0.00 0.00 0.00 47.33 47.19 2r6y h GLY 390 CO 0.04 0.26 0.47 -2.00 0.00 0.00 0.00 176.54 175.31 2r6y h LEU 391 N 0.56 0.80 -0.57 3.11 5.85 -0.73 -0.18 115.31 124.14 2r6y h LEU 391 Ca 0.15 -0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.76 2r6y h LEU 391 Cb 0.03 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.85 2r6y h LEU 391 CO -0.03 0.57 -0.02 0.58 -0.34 0.00 0.00 178.44 179.20 2r6y h VAL 392 N 0.94 1.27 0.06 1.05 2.07 -0.59 -1.67 116.25 119.38 2r6y h VAL 392 Ca 0.27 -1.16 0.01 0.00 0.82 0.00 0.00 66.70 66.64 2r6y h VAL 392 Cb -0.07 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 2r6y h VAL 392 CO -0.07 0.42 -0.14 -0.25 0.02 0.00 0.00 177.57 177.54 2r6y h TRP 393 N 0.90 -0.37 0.00 1.57 2.91 -0.48 -2.86 115.95 117.61 2r6y h TRP 393 Ca 0.16 0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.19 2r6y h TRP 393 Cb 0.58 0.16 0.00 0.00 -0.51 0.00 0.00 29.16 29.39 2r6y h TRP 393 CO 0.04 -0.22 0.00 2.89 -1.03 0.00 0.00 178.44 180.12 2r6y n ARG 394 N -5.27 0.04 0.00 2.65 1.85 -0.12 -2.68 116.66 113.13 2r6y n ARG 394 Ca -0.06 0.19 0.12 0.00 -1.00 0.00 0.00 57.85 57.10 2r6y n ARG 394 Cb 0.19 -1.56 0.26 0.00 -1.05 0.00 0.00 32.46 30.31 2r6y n ARG 394 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 2r6y n SER 395 N -1.62 1.43 -0.30 2.89 7.64 -0.64 -4.50 113.62 118.51 2r6y n SER 395 Ca 0.05 -1.16 0.07 0.00 1.01 0.00 0.00 58.87 58.83 2r6y n SER 395 Cb 0.25 0.23 0.28 0.00 -1.01 0.00 0.00 64.21 63.95 2r6y n SER 395 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 2r6y h MET 396 N 1.78 0.91 -0.24 1.43 2.86 -1.35 -0.51 114.93 119.80 2r6y h MET 396 Ca 0.00 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 2r6y h MET 396 Cb 0.60 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 32.05 2r6y h MET 396 CO 0.00 0.60 0.00 0.39 1.06 0.00 0.00 176.91 178.96 2r6y n GLU 397 N -4.53 1.58 -3.44 1.72 1.02 -1.26 -4.37 120.64 111.35 2r6y n GLU 397 Ca 0.15 -0.90 -0.26 0.00 -0.02 0.00 0.00 57.16 56.13 2r6y n GLU 397 Cb 0.29 -1.21 -0.09 0.00 -0.02 0.00 0.00 31.44 30.41 2r6y n GLU 397 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2r6y n HIS 398 N 0.22 2.03 -1.58 -0.32 8.25 -0.20 -5.10 115.22 118.52 2r6y n HIS 398 Ca 0.09 -3.94 -0.48 0.00 -0.26 0.00 0.00 57.72 53.14 2r6y n HIS 398 Cb 0.22 -0.43 -0.03 0.00 1.12 0.00 0.00 29.99 30.87 2r6y n HIS 398 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 2r6y n PRO 399 N 1.41 1.25 -0.58 -0.41 -0.02 -1.26 -0.05 135.00 135.34 2r6y n PRO 399 Ca 0.26 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 2r6y n PRO 399 Cb 0.44 -1.91 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 2r6y n PRO 399 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2r6y n GLY 400 N 1.84 1.64 3.18 -1.23 0.00 -1.26 -4.99 105.19 104.37 2r6y n GLY 400 Ca 0.14 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.99 2r6y n GLY 400 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2r6y s LYS 401 N -0.05 0.85 -0.20 1.61 1.02 0.93 -4.14 119.74 119.77 2r6y s LYS 401 Ca 0.00 -1.05 -0.03 0.00 0.02 0.00 0.00 55.97 54.90 2r6y s LYS 401 Cb 0.00 -0.74 -0.01 0.00 -0.52 0.00 0.00 37.83 36.56 2r6y s LYS 401 CO 0.00 0.15 -0.06 -0.51 -0.92 0.00 0.00 175.35 174.01 2r6y s LEU 402 N -2.06 2.90 -1.07 3.17 1.43 0.43 -4.77 118.68 118.71 2r6y s LEU 402 Ca 0.02 -0.35 -0.13 0.00 -1.03 0.00 0.00 54.13 52.63 2r6y s LEU 402 Cb -0.07 -1.72 0.20 0.00 0.03 0.00 0.00 46.19 44.63 2r6y s LEU 402 CO 0.02 0.03 1.19 -0.22 0.23 0.00 0.00 176.35 177.60 2r6y s LEU 403 N 1.16 5.66 0.23 1.79 0.20 -1.26 -0.92 118.68 125.55 2r6y s LEU 403 Ca 0.02 -2.94 -0.05 0.00 0.69 0.00 0.00 54.13 51.85 2r6y s LEU 403 Cb -0.14 -2.32 0.24 0.00 -0.43 0.00 0.00 46.19 43.53 2r6y s LEU 403 CO -0.01 -0.65 1.76 -0.26 -0.29 0.00 0.00 176.35 176.89 2r6y h PHE 404 N 7.43 1.04 -3.00 5.38 0.04 -1.61 -3.44 116.94 122.78 2r6y h PHE 404 Ca 0.22 -0.12 -0.07 0.00 2.80 0.00 0.00 57.97 60.80 2r6y h PHE 404 Cb 0.93 -0.29 -0.16 0.00 2.20 0.00 0.00 35.95 38.62 2r6y h PHE 404 CO 1.01 0.86 -0.07 0.00 -0.60 0.00 0.00 178.31 179.52 2r6y s ALA 405 N -5.23 -1.08 0.62 2.45 0.00 -1.13 -4.92 121.76 112.47 2r6y s ALA 405 Ca -0.11 0.35 0.29 0.00 0.00 0.00 0.00 51.96 52.49 2r6y s ALA 405 Cb 0.15 0.39 1.58 0.00 0.00 0.00 0.00 23.12 25.24 2r6y s ALA 405 CO 0.83 -0.48 1.95 -1.35 0.00 0.00 0.00 175.76 176.70 2r6y h PRO 406 N 2.90 0.00 -0.49 0.00 0.11 -1.88 0.60 132.00 133.24 2r6y h PRO 406 Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 2r6y h PRO 406 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2r6y h PRO 406 CO 0.43 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.49 2r6y n ASN 407 N -3.38 4.65 -3.25 -2.05 6.94 -1.26 -4.69 115.26 112.22 2r6y n ASN 407 Ca 0.03 -2.71 -0.22 0.00 -0.02 0.00 0.00 54.58 51.66 2r6y n ASN 407 Cb 0.48 -0.57 -0.07 0.00 -2.36 0.00 0.00 39.78 37.26 2r6y n ASN 407 CO 0.00 0.00 0.00 -0.11 -1.03 0.00 0.00 177.26 176.12 2r6y n LEU 408 N 0.47 -1.13 -4.38 -4.53 7.94 0.21 -4.86 117.00 110.72 2r6y n LEU 408 Ca 0.24 -4.06 -0.39 0.00 -1.11 0.00 0.00 56.01 50.68 2r6y n LEU 408 Cb 0.94 0.60 -0.12 0.00 0.53 0.00 0.00 43.42 45.37 2r6y n LEU 408 CO 0.23 1.88 -0.19 -0.22 -1.11 0.00 0.00 177.39 177.98 2r6y s LEU 409 N 0.20 4.43 -0.08 -1.96 2.96 -1.25 -1.49 118.68 121.48 2r6y s LEU 409 Ca 0.32 -0.86 0.01 0.00 -0.22 0.00 0.00 54.13 53.39 2r6y s LEU 409 Cb 0.04 -1.99 -0.02 0.00 0.50 0.00 0.00 46.19 44.71 2r6y s LEU 409 CO -0.17 -0.31 -0.11 -0.76 -1.32 0.00 0.00 176.35 173.68 2r6y s LEU 410 N 1.55 2.90 0.51 -0.68 1.43 -0.09 -4.92 118.68 119.36 2r6y s LEU 410 Ca 0.02 -0.17 0.05 0.00 -1.03 0.00 0.00 54.13 53.01 2r6y s LEU 410 Cb -0.18 -1.62 0.04 0.00 0.03 0.00 0.00 46.19 44.45 2r6y s LEU 410 CO 0.06 0.29 0.70 1.51 0.23 0.00 0.00 176.35 179.14 2r6y s ASP 411 N -0.41 5.36 0.56 2.29 1.47 -1.26 -0.43 116.67 124.25 2r6y s ASP 411 Ca 0.05 -0.33 0.33 0.00 1.18 0.00 0.00 52.55 53.78 2r6y s ASP 411 Cb -0.12 -0.57 1.63 0.00 -0.34 0.00 0.00 42.92 43.52 2r6y s ASP 411 CO 0.02 -1.05 2.11 0.08 0.68 0.00 0.00 175.17 177.02 2r6y h ARG 412 N 0.30 0.00 -0.72 2.11 0.11 -1.98 -1.17 114.38 113.02 2r6y h ARG 412 Ca -0.39 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.69 2r6y h ARG 412 Cb 1.29 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 32.33 2r6y h ARG 412 CO 0.47 0.07 0.46 -0.91 0.10 0.00 0.00 179.97 180.15 2r6y h ASN 413 N 0.00 0.85 0.14 0.08 -0.26 -1.95 -0.50 115.58 113.94 2r6y h ASN 413 Ca -0.00 -0.03 -0.29 0.00 -0.56 0.00 0.00 56.30 55.41 2r6y h ASN 413 Cb 0.32 -0.21 0.03 0.00 -1.06 0.00 0.00 38.32 37.39 2r6y h ASN 413 CO 0.01 0.63 -1.22 1.56 -1.06 0.00 0.00 177.43 177.35 2r6y h GLN 414 N 0.99 0.61 0.00 0.81 4.20 -1.61 -3.10 115.11 117.00 2r6y h GLN 414 Ca 0.26 -0.80 -0.03 0.00 0.06 0.00 0.00 58.65 58.14 2r6y h GLN 414 Cb -0.08 0.26 -0.00 0.00 0.30 0.00 0.00 27.48 27.96 2r6y h GLN 414 CO -0.05 1.36 -0.14 0.78 -0.67 0.00 0.00 178.83 180.11 2r6y h GLY 415 N 0.39 0.00 1.93 3.46 0.00 -1.32 -2.59 103.07 104.94 2r6y h GLY 415 Ca -0.18 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.07 2r6y h GLY 415 CO 0.23 0.00 -0.36 0.07 0.00 0.00 0.00 176.54 176.48 2r6y h LYS 416 N 0.00 0.08 0.00 4.80 -0.00 -1.02 -2.95 116.57 117.48 2r6y h LYS 416 Ca -0.00 -0.03 -0.03 0.00 -0.00 0.00 0.00 60.65 60.59 2r6y h LYS 416 Cb 0.28 -0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 32.50 2r6y h LYS 416 CO 0.02 0.43 -0.15 0.66 -0.00 0.00 0.00 179.45 180.41 2r6y h SER 417 N 0.07 0.00 -3.39 7.07 4.64 -1.44 -3.38 113.55 117.11 2r6y h SER 417 Ca 0.01 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.72 2r6y h SER 417 Cb 0.67 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 62.66 2r6y h SER 417 CO 0.05 0.15 0.33 -0.69 -0.87 0.00 0.00 176.83 175.79 2r6y s VAL 418 N -4.16 4.89 0.07 0.95 1.01 -1.11 -5.02 120.40 117.03 2r6y s VAL 418 Ca -0.03 1.31 -0.31 0.00 0.00 0.00 0.00 61.98 62.96 2r6y s VAL 418 Cb 0.13 -4.05 -0.09 0.00 0.00 0.00 0.00 36.38 32.37 2r6y s VAL 418 CO 0.60 -0.07 1.85 -1.83 0.00 0.00 0.00 175.10 175.66 2r6y s GLU 419 N 2.72 4.15 0.00 2.72 1.03 -1.26 -2.10 118.70 125.96 2r6y s GLU 419 Ca 0.31 2.55 0.00 0.00 0.03 0.00 0.00 54.97 57.86 2r6y s GLU 419 Cb -0.15 -3.83 0.00 0.00 -0.80 0.00 0.00 34.13 29.35 2r6y s GLU 419 CO 0.09 -0.87 0.00 0.41 -1.33 0.00 0.00 175.26 173.55 2r6y n GLY 420 N 4.32 0.76 0.09 -3.83 0.00 -1.26 -4.97 105.19 100.30 2r6y n GLY 420 Ca 0.18 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.09 2r6y n GLY 420 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2r6y h MET 421 N 3.65 0.06 -0.79 1.61 -1.53 -1.62 -3.41 114.93 112.89 2r6y h MET 421 Ca 0.00 -0.10 0.06 0.00 -3.44 0.00 0.00 59.70 56.23 2r6y h MET 421 Cb 0.00 0.04 -0.05 0.00 -0.55 0.00 0.00 31.60 31.04 2r6y h MET 421 CO 0.00 0.68 0.52 0.28 0.14 0.00 0.00 176.91 178.52 2r6y h VAL 422 N 0.02 1.04 -0.37 -5.77 2.07 -1.78 -1.02 116.25 110.44 2r6y h VAL 422 Ca -0.28 -0.29 -0.06 0.00 0.82 0.00 0.00 66.70 66.88 2r6y h VAL 422 Cb 2.00 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.86 2r6y h VAL 422 CO 0.09 0.16 -0.01 -0.33 0.02 0.00 0.00 177.57 177.49 2r6y h GLU 423 N 0.86 0.67 -0.33 1.57 3.07 -1.95 -0.77 114.58 117.69 2r6y h GLU 423 Ca 0.34 -0.22 -0.13 0.00 -0.50 0.00 0.00 59.36 58.85 2r6y h GLU 423 Cb 0.23 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.08 2r6y h GLU 423 CO -0.12 0.78 -0.30 0.82 -1.40 0.00 0.00 179.01 178.79 2r6y h ILE 424 N 0.48 1.29 -0.72 3.13 2.04 -1.70 -2.49 117.51 119.54 2r6y h ILE 424 Ca 0.10 -1.47 0.16 0.00 1.00 0.00 0.00 64.86 64.65 2r6y h ILE 424 Cb 0.49 1.49 -0.12 0.00 -0.74 0.00 0.00 36.82 37.94 2r6y h ILE 424 CO 0.02 0.48 0.11 0.15 0.00 0.00 0.00 178.15 178.91 2r6y h PHE 425 N 0.56 0.14 -0.58 1.37 3.04 -1.09 0.11 116.94 120.48 2r6y h PHE 425 Ca 0.06 0.05 -0.11 0.00 3.98 0.00 0.00 57.97 61.95 2r6y h PHE 425 Cb 0.88 0.05 -0.02 0.00 2.56 0.00 0.00 35.95 39.42 2r6y h PHE 425 CO 0.07 -0.15 -0.05 -0.44 -2.02 0.00 0.00 178.31 175.72 2r6y h ASP 426 N 0.19 1.06 -0.59 0.41 3.32 -1.01 0.08 116.42 119.88 2r6y h ASP 426 Ca 0.40 -0.33 -0.04 0.00 0.02 0.00 0.00 57.03 57.08 2r6y h ASP 426 Cb 0.70 -0.29 -0.03 0.00 0.22 0.00 0.00 39.33 39.94 2r6y h ASP 426 CO -0.56 1.13 0.21 0.24 -1.72 0.00 0.00 179.24 178.54 2r6y h MET 427 N 0.96 0.93 -0.36 3.56 2.86 -0.95 -0.52 114.93 121.40 2r6y h MET 427 Ca 0.16 -0.17 -0.08 0.00 -2.06 0.00 0.00 59.70 57.55 2r6y h MET 427 Cb 0.62 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.12 2r6y h MET 427 CO 0.04 0.79 -0.08 -0.07 1.06 0.00 0.00 176.91 178.65 2r6y h LEU 428 N 0.91 0.70 -0.57 1.22 3.38 -0.36 -1.38 115.31 119.20 2r6y h LEU 428 Ca 0.21 -0.36 0.03 0.00 0.09 0.00 0.00 57.88 57.85 2r6y h LEU 428 Cb 0.24 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 2r6y h LEU 428 CO -0.01 0.90 0.35 -0.07 0.09 0.00 0.00 178.44 179.69 2r6y h LEU 429 N 0.49 0.56 -0.79 1.67 3.38 -0.62 -1.54 115.31 118.47 2r6y h LEU 429 Ca 0.09 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.98 2r6y h LEU 429 Cb 0.59 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 2r6y h LEU 429 CO 0.03 0.39 -0.01 0.00 0.09 0.00 0.00 178.44 178.94 2r6y h ALA 430 N 1.25 0.98 -0.87 1.53 0.00 -1.00 -0.46 119.26 120.70 2r6y h ALA 430 Ca 0.23 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 2r6y h ALA 430 Cb 0.03 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 2r6y h ALA 430 CO -0.10 0.62 0.53 1.15 0.00 0.00 0.00 179.25 181.45 2r6y h THR 431 N 0.83 1.24 -0.40 0.00 2.02 -0.94 -1.19 112.91 114.47 2r6y h THR 431 Ca 0.15 -0.50 -0.03 0.00 0.77 0.00 0.00 66.41 66.80 2r6y h THR 431 Cb 0.51 0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 66.91 2r6y h THR 431 CO 0.03 0.24 0.13 -1.28 0.37 0.00 0.00 175.52 175.01 2r6y h SER 432 N 1.19 0.58 -0.24 4.18 0.87 -0.70 -0.96 113.55 118.47 2r6y h SER 432 Ca 0.31 -0.20 0.06 0.00 -1.23 0.00 0.00 61.79 60.73 2r6y h SER 432 Cb -0.07 -0.15 -0.06 0.00 -0.44 0.00 0.00 62.40 61.68 2r6y h SER 432 CO -0.06 0.62 -0.17 0.28 -0.53 0.00 0.00 176.83 176.97 2r6y h SER 433 N 0.51 -0.55 -0.09 6.23 0.02 -0.87 -1.44 113.55 117.35 2r6y h SER 433 Ca 0.13 0.12 0.04 0.00 -0.84 0.00 0.00 61.79 61.23 2r6y h SER 433 Cb 0.25 0.28 -0.04 0.00 0.14 0.00 0.00 62.40 63.03 2r6y h SER 433 CO -0.01 -0.21 -0.15 -0.09 -1.14 0.00 0.00 176.83 175.24 2r6y h ARG 434 N -0.16 -0.19 -0.71 3.45 9.65 -1.03 0.07 114.38 125.46 2r6y h ARG 434 Ca 0.14 0.01 0.14 0.00 -1.10 0.00 0.00 59.98 59.17 2r6y h ARG 434 Cb 0.37 0.04 -0.09 0.00 -1.39 0.00 0.00 29.97 28.89 2r6y h ARG 434 CO -0.34 -0.13 0.24 0.74 2.80 0.00 0.00 179.97 183.28 2r6y h PHE 435 N -0.20 0.40 -0.27 2.20 -1.00 -0.91 -0.32 116.94 116.85 2r6y h PHE 435 Ca 0.08 0.04 -0.04 0.00 2.81 0.00 0.00 57.97 60.86 2r6y h PHE 435 Cb 0.31 -0.07 -0.01 0.00 3.61 0.00 0.00 35.95 39.79 2r6y h PHE 435 CO -0.25 0.02 0.01 -0.09 -1.61 0.00 0.00 178.31 176.39 2r6y h ARG 436 N 0.38 0.47 0.00 1.51 2.43 -0.41 -1.33 114.38 117.42 2r6y h ARG 436 Ca 0.39 -0.15 -0.04 0.00 -0.81 0.00 0.00 59.98 59.37 2r6y h ARG 436 Cb 0.59 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.09 2r6y h ARG 436 CO -0.41 0.62 -0.19 0.52 -1.51 0.00 0.00 179.97 179.00 2r6y h MET 437 N 0.25 0.00 0.00 0.20 2.86 -0.65 -1.77 114.93 115.82 2r6y h MET 437 Ca 0.08 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 2r6y h MET 437 Cb 0.41 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.07 2r6y h MET 437 CO 0.01 0.19 -0.38 -1.33 1.06 0.00 0.00 176.91 176.46 2r6y n MET 438 N -3.71 0.08 -3.26 1.72 2.81 -0.16 -4.95 117.12 109.65 2r6y n MET 438 Ca -0.01 0.03 -0.17 0.00 -1.81 0.00 0.00 57.70 55.74 2r6y n MET 438 Cb 0.31 -1.56 0.06 0.00 -0.71 0.00 0.00 33.22 31.32 2r6y n MET 438 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 2r6y n ASN 439 N -1.68 -4.41 -4.67 7.83 2.85 -0.67 -4.88 115.26 109.63 2r6y n ASN 439 Ca 0.05 -0.42 -0.47 0.00 -0.11 0.00 0.00 54.58 53.63 2r6y n ASN 439 Cb 0.37 -3.92 -0.04 0.00 1.24 0.00 0.00 39.78 37.42 2r6y n ASN 439 CO 0.00 0.00 0.00 -0.11 -2.11 0.00 0.00 177.26 175.04 2r6y n LEU 440 N -3.74 3.23 -4.87 1.20 7.94 -0.56 -4.96 117.00 115.23 2r6y n LEU 440 Ca -0.05 1.04 -0.31 0.00 -1.11 0.00 0.00 56.01 55.58 2r6y n LEU 440 Cb 0.57 -1.40 -0.03 0.00 0.53 0.00 0.00 43.42 43.08 2r6y n LEU 440 CO 0.48 -0.20 0.46 -1.10 -1.11 0.00 0.00 177.39 175.93 2r6y s GLN 441 N 2.22 3.80 0.38 1.96 -1.52 -1.26 -4.93 119.66 120.31 2r6y s GLN 441 Ca 0.85 0.52 0.11 0.00 -1.95 0.00 0.00 55.36 54.89 2r6y s GLN 441 Cb -0.69 -2.37 0.90 0.00 -0.22 0.00 0.00 33.01 30.63 2r6y s GLN 441 CO 0.44 -0.05 1.87 0.78 -0.25 0.00 0.00 175.29 178.08 2r6y h GLY 442 N 1.27 1.08 1.74 3.09 0.00 -1.99 -0.23 103.07 108.02 2r6y h GLY 442 Ca -0.47 -0.26 -0.14 0.00 0.00 0.00 0.00 47.33 46.46 2r6y h GLY 442 CO 0.64 0.07 -0.56 0.83 0.00 0.00 0.00 176.54 177.52 2r6y h GLU 443 N 0.60 0.27 -0.13 4.80 3.07 -1.98 -2.14 114.58 119.07 2r6y h GLU 443 Ca 0.44 -0.17 -0.20 0.00 -0.50 0.00 0.00 59.36 58.93 2r6y h GLU 443 Cb 0.81 0.02 0.01 0.00 -0.84 0.00 0.00 28.75 28.75 2r6y h GLU 443 CO -0.19 0.76 -0.69 0.93 -1.40 0.00 0.00 179.01 178.42 2r6y h GLU 444 N 0.21 0.70 -0.26 2.33 5.08 -1.51 -2.94 114.58 118.18 2r6y h GLU 444 Ca 0.00 -0.58 0.05 0.00 -1.00 0.00 0.00 59.36 57.83 2r6y h GLU 444 Cb 1.04 0.12 -0.04 0.00 0.50 0.00 0.00 28.75 30.37 2r6y h GLU 444 CO 0.09 1.19 -0.00 0.35 -1.00 0.00 0.00 179.01 179.63 2r6y h PHE 445 N 0.39 -0.02 -0.29 4.33 3.57 -0.98 -0.39 116.94 123.55 2r6y h PHE 445 Ca -0.05 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.37 2r6y h PHE 445 Cb 1.32 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 40.10 2r6y h PHE 445 CO 0.10 -0.05 -0.25 -0.39 -2.23 0.00 0.00 178.31 175.49 2r6y h VAL 446 N 0.07 1.27 -0.66 1.41 -1.51 -1.43 -0.85 116.25 114.56 2r6y h VAL 446 Ca 0.12 -1.30 -0.03 0.00 -1.23 0.00 0.00 66.70 64.26 2r6y h VAL 446 Cb 0.16 1.32 -0.03 0.00 -2.13 0.00 0.00 31.29 30.61 2r6y h VAL 446 CO -0.21 0.42 0.29 0.00 -1.23 0.00 0.00 177.57 176.83 2r6y h LEU 448 N 0.92 0.85 -1.04 0.00 3.38 -0.54 -1.21 115.31 117.68 2r6y h LEU 448 Ca 0.22 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 2r6y h LEU 448 Cb 0.17 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 2r6y h LEU 448 CO -0.02 0.88 0.30 0.50 0.09 0.00 0.00 178.44 180.19 2r6y h LYS 449 N 0.78 0.98 -0.61 1.13 3.64 -1.06 -1.34 116.57 120.10 2r6y h LYS 449 Ca 0.17 -0.15 -0.08 0.00 -1.27 0.00 0.00 60.65 59.32 2r6y h LYS 449 Cb 0.38 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.00 2r6y h LYS 449 CO 0.01 0.78 0.05 0.77 -2.27 0.00 0.00 179.45 178.79 2r6y h SER 450 N 0.97 1.01 -0.13 4.20 0.02 -1.21 -2.46 113.55 115.95 2r6y h SER 450 Ca 0.23 -0.28 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 2r6y h SER 450 Cb 0.14 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 2r6y h SER 450 CO -0.03 1.04 0.08 0.40 -1.14 0.00 0.00 176.83 177.19 2r6y h ILE 451 N 0.95 1.03 -0.53 3.27 2.04 -0.61 -2.11 117.51 121.55 2r6y h ILE 451 Ca 0.18 -0.06 0.11 0.00 1.00 0.00 0.00 64.86 66.09 2r6y h ILE 451 Cb 0.49 0.85 -0.10 0.00 -0.74 0.00 0.00 36.82 37.31 2r6y h ILE 451 CO 0.02 0.03 -0.17 0.40 0.00 0.00 0.00 178.15 178.43 2r6y h ILE 452 N 0.17 0.40 -0.50 -0.67 2.04 -1.17 0.14 117.51 117.92 2r6y h ILE 452 Ca 0.05 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.96 2r6y h ILE 452 Cb -0.02 0.40 -0.05 0.00 -0.74 0.00 0.00 36.82 36.41 2r6y h ILE 452 CO -0.01 0.00 0.23 0.25 0.00 0.00 0.00 178.15 178.62 2r6y h LEU 453 N -0.04 0.32 0.00 1.44 5.85 -1.13 -0.82 115.31 120.93 2r6y h LEU 453 Ca 0.25 0.04 -0.11 0.00 0.84 0.00 0.00 57.88 58.90 2r6y h LEU 453 Cb 0.43 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 2r6y h LEU 453 CO -0.57 0.22 -0.69 -0.07 -0.34 0.00 0.00 178.44 176.98 2r6y h LEU 454 N 0.46 0.00 0.02 2.25 3.38 -1.02 -3.38 115.31 117.02 2r6y h LEU 454 Ca 0.22 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.85 2r6y h LEU 454 Cb 0.16 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.86 2r6y h LEU 454 CO -0.18 0.48 -2.09 -3.20 0.09 0.00 0.00 178.44 173.54 2r6y n ASN 455 N -3.13 0.99 0.01 -0.43 2.85 0.44 -4.29 115.26 111.70 2r6y n ASN 455 Ca -0.00 0.16 -0.11 0.00 -0.11 0.00 0.00 54.58 54.52 2r6y n ASN 455 Cb 0.74 0.07 -0.06 0.00 1.24 0.00 0.00 39.78 41.78 2r6y n ASN 455 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 2r6y h SER 456 N 0.01 0.09 -0.36 1.20 0.02 -1.33 -2.54 113.55 110.65 2r6y h SER 456 Ca -0.44 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 2r6y h SER 456 Cb 2.07 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 64.59 2r6y h SER 456 CO 0.04 0.07 0.00 0.61 -1.14 0.00 0.00 176.83 176.41 2r6y n GLY 457 N -1.09 1.21 0.31 -3.77 0.00 -1.26 -4.54 105.19 96.05 2r6y n GLY 457 Ca -0.06 -0.60 0.01 0.00 0.00 0.00 0.00 46.02 45.38 2r6y n GLY 457 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2r6y h VAL 458 N 3.39 1.17 -0.48 1.61 3.04 -1.64 -2.53 116.25 120.82 2r6y h VAL 458 Ca 0.00 -0.47 0.00 0.00 -1.01 0.00 0.00 66.70 65.22 2r6y h VAL 458 Cb 0.75 0.49 0.00 0.00 -2.01 0.00 0.00 31.29 30.52 2r6y h VAL 458 CO 0.00 0.20 0.00 -1.22 -1.01 0.00 0.00 177.57 175.54 2r6y n TYR 459 N -4.38 0.95 -1.02 3.17 4.01 -1.26 -3.67 117.16 114.95 2r6y n TYR 459 Ca 0.04 -0.40 0.09 0.00 -0.16 0.00 0.00 57.90 57.48 2r6y n TYR 459 Cb 0.12 -0.13 0.21 0.00 -0.31 0.00 0.00 39.34 39.23 2r6y n TYR 459 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 2r6y n THR 460 N 0.83 2.11 -2.24 -0.72 -2.24 -0.95 -5.00 114.28 106.07 2r6y n THR 460 Ca 0.18 -2.03 -0.43 0.00 -2.27 0.00 0.00 64.05 59.50 2r6y n THR 460 Cb 0.59 -0.24 -0.02 0.00 -2.10 0.00 0.00 70.33 68.56 2r6y n THR 460 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 2r6y s PHE 461 N -2.83 2.44 0.11 4.78 0.08 -1.24 -4.96 117.98 116.36 2r6y s PHE 461 Ca 0.38 0.65 -0.28 0.00 0.12 0.00 0.00 56.93 57.81 2r6y s PHE 461 Cb 0.31 -3.72 -0.09 0.00 -0.57 0.00 0.00 43.02 38.95 2r6y s PHE 461 CO 0.06 -2.62 1.63 1.25 -0.10 0.00 0.00 175.22 175.45 2r6y h LEU 462 N 10.16 -0.77-10.04 -0.37 5.85 -1.95 -3.45 115.31 114.73 2r6y h LEU 462 Ca -0.32 0.09 -0.49 0.00 0.84 0.00 0.00 57.88 58.00 2r6y h LEU 462 Cb 1.13 0.29 0.05 0.00 0.37 0.00 0.00 40.66 42.50 2r6y h LEU 462 CO 0.97 -0.37 0.43 -0.44 -0.34 0.00 0.00 178.44 178.69 2r6y s SER 463 N -4.79 6.15 0.00 1.25 0.01 -1.26 -4.95 113.70 110.10 2r6y s SER 463 Ca -0.16 2.12 0.00 0.00 1.31 0.00 0.00 55.95 59.23 2r6y s SER 463 Cb 0.08 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.72 2r6y s SER 463 CO 0.65 -0.92 0.84 -0.24 0.41 0.00 0.00 173.24 173.97 2r6y n SER 464 N -0.83 1.63 -4.50 2.44 2.88 -1.26 -4.88 113.62 109.09 2r6y n SER 464 Ca 0.09 -1.69 -0.31 0.00 -1.33 0.00 0.00 58.87 55.63 2r6y n SER 464 Cb 0.50 0.00 0.17 0.00 -0.75 0.00 0.00 64.21 64.13 2r6y n SER 464 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2r6y n THR 465 N -0.34 0.00 -0.12 2.46 -2.24 -1.26 -4.77 114.28 108.01 2r6y n THR 465 Ca 0.00 -0.17 -0.05 0.00 -2.27 0.00 0.00 64.05 61.56 2r6y n THR 465 Cb 0.20 -0.81 0.03 0.00 -2.10 0.00 0.00 70.33 67.64 2r6y n THR 465 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2r6y h LEU 466 N -1.92 -0.06 -0.41 3.22 6.46 -2.00 -2.11 115.31 118.48 2r6y h LEU 466 Ca -0.47 0.08 0.07 0.00 -0.12 0.00 0.00 57.88 57.44 2r6y h LEU 466 Cb 1.29 0.12 -0.06 0.00 -0.73 0.00 0.00 40.66 41.28 2r6y h LEU 466 CO 0.39 0.00 0.02 0.50 -0.62 0.00 0.00 178.44 178.74 2r6y h LYS 467 N 0.16 0.13 -0.89 1.25 3.64 -2.00 -1.51 116.57 117.36 2r6y h LYS 467 Ca 0.19 -0.01 0.10 0.00 -1.27 0.00 0.00 60.65 59.66 2r6y h LYS 467 Cb 0.25 -0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 31.98 2r6y h LYS 467 CO -0.28 0.09 0.58 0.77 -2.27 0.00 0.00 179.45 178.33 2r6y h SER 468 N 0.14 0.80 0.00 4.20 0.02 -1.74 -0.97 113.55 116.00 2r6y h SER 468 Ca 0.20 0.02 -0.26 0.00 -0.84 0.00 0.00 61.79 60.91 2r6y h SER 468 Cb 0.28 -0.14 0.02 0.00 0.14 0.00 0.00 62.40 62.69 2r6y h SER 468 CO -0.31 0.47 -1.02 -0.07 -1.14 0.00 0.00 176.83 174.76 2r6y h LEU 469 N 0.89 0.89 -0.21 5.07 3.38 -0.93 -0.39 115.31 124.02 2r6y h LEU 469 Ca 0.42 -0.74 0.06 0.00 0.09 0.00 0.00 57.88 57.70 2r6y h LEU 469 Cb 0.41 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.83 2r6y h LEU 469 CO -0.18 1.52 -0.23 -0.33 0.09 0.00 0.00 178.44 179.31 2r6y h GLU 470 N 0.36 -0.24 0.05 1.13 5.08 -1.04 -0.20 114.58 119.72 2r6y h GLU 470 Ca -0.13 0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.27 2r6y h GLU 470 Cb 1.68 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.96 2r6y h GLU 470 CO 0.20 -0.16 -0.16 0.93 -1.00 0.00 0.00 179.01 178.82 2r6y h GLU 471 N -0.25 -0.28 -0.96 2.33 4.39 -0.95 -0.52 114.58 118.34 2r6y h GLU 471 Ca 0.13 0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.86 2r6y h GLU 471 Cb 0.44 0.06 -0.05 0.00 -0.10 0.00 0.00 28.75 29.11 2r6y h GLU 471 CO -0.35 -0.18 0.64 0.87 -1.16 0.00 0.00 179.01 178.82 2r6y h LYS 472 N -0.29 1.26 -0.59 2.33 1.57 -1.03 0.08 116.57 119.91 2r6y h LYS 472 Ca 0.03 -0.08 -0.09 0.00 -1.87 0.00 0.00 60.65 58.65 2r6y h LYS 472 Cb 0.32 -0.28 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 2r6y h LYS 472 CO -0.11 0.83 0.00 0.22 -0.57 0.00 0.00 179.45 179.82 2r6y h ASP 473 N 1.30 1.00 -0.37 0.86 3.58 -0.62 -0.42 116.42 121.74 2r6y h ASP 473 Ca 0.36 -0.28 -0.02 0.00 0.42 0.00 0.00 57.03 57.51 2r6y h ASP 473 Cb -0.14 -0.27 -0.02 0.00 1.72 0.00 0.00 39.33 40.63 2r6y h ASP 473 CO -0.08 1.05 0.14 -0.74 -2.88 0.00 0.00 179.24 176.73 2r6y h HIS 474 N 0.94 0.57 -0.35 0.28 2.76 -0.71 -1.54 115.15 117.09 2r6y h HIS 474 Ca 0.17 -0.05 0.01 0.00 -2.20 0.00 0.00 60.37 58.30 2r6y h HIS 474 Cb 0.54 -0.17 -0.02 0.00 1.55 0.00 0.00 27.41 29.31 2r6y h HIS 474 CO 0.04 0.53 0.22 0.82 -1.30 0.00 0.00 177.93 178.23 2r6y h ILE 475 N 0.45 1.06 -0.49 6.26 2.04 -0.72 -0.89 117.51 125.22 2r6y h ILE 475 Ca 0.12 -0.15 -0.07 0.00 1.00 0.00 0.00 64.86 65.76 2r6y h ILE 475 Cb 0.20 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 2r6y h ILE 475 CO -0.01 0.08 0.03 0.45 0.00 0.00 0.00 178.15 178.70 2r6y h HIS 476 N 0.45 0.84 -0.68 1.37 3.86 -0.97 0.20 115.15 120.22 2r6y h HIS 476 Ca 0.13 -0.11 -0.03 0.00 -1.16 0.00 0.00 60.37 59.21 2r6y h HIS 476 Cb -0.03 -0.23 -0.03 0.00 1.06 0.00 0.00 27.41 28.18 2r6y h HIS 476 CO -0.06 0.76 0.31 0.00 0.86 0.00 0.00 177.93 179.79 2r6y h ARG 477 N 0.75 1.00 -0.69 2.45 3.08 -1.05 -1.23 114.38 118.68 2r6y h ARG 477 Ca 0.15 -0.16 -0.07 0.00 0.07 0.00 0.00 59.98 59.97 2r6y h ARG 477 Cb 0.41 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.26 2r6y h ARG 477 CO 0.01 0.80 0.14 0.28 -1.07 0.00 0.00 179.97 180.14 2r6y h VAL 478 N 0.96 1.26 -0.74 2.04 2.07 -0.63 -1.53 116.25 119.67 2r6y h VAL 478 Ca 0.23 -1.00 -0.04 0.00 0.82 0.00 0.00 66.70 66.71 2r6y h VAL 478 Cb 0.15 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 30.47 2r6y h VAL 478 CO -0.03 0.38 0.31 -0.07 0.02 0.00 0.00 177.57 178.19 2r6y h LEU 479 N 1.05 1.01 -0.20 2.57 3.38 -0.81 -2.02 115.31 120.29 2r6y h LEU 479 Ca 0.21 -0.16 0.01 0.00 0.09 0.00 0.00 57.88 58.03 2r6y h LEU 479 Cb 0.40 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 2r6y h LEU 479 CO 0.01 0.89 0.10 0.44 0.09 0.00 0.00 178.44 179.97 2r6y h ASP 480 N 1.06 0.16 -0.74 -0.43 3.32 -1.05 -0.94 116.42 117.79 2r6y h ASP 480 Ca 0.25 0.01 0.15 0.00 0.02 0.00 0.00 57.03 57.45 2r6y h ASP 480 Cb 0.19 -0.03 -0.10 0.00 0.22 0.00 0.00 39.33 39.61 2r6y h ASP 480 CO -0.02 0.12 0.27 0.50 -1.72 0.00 0.00 179.24 178.38 2r6y h LYS 481 N 0.22 0.38 -0.43 3.56 3.64 -1.03 -1.32 116.57 121.58 2r6y h LYS 481 Ca 0.08 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.36 2r6y h LYS 481 Cb 0.01 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.72 2r6y h LYS 481 CO -0.05 0.25 -0.03 0.82 -2.27 0.00 0.00 179.45 178.17 2r6y h ILE 482 N 0.39 1.24 -0.04 2.00 2.04 -0.77 -0.39 117.51 121.97 2r6y h ILE 482 Ca 0.41 -1.00 0.01 0.00 1.00 0.00 0.00 64.86 65.29 2r6y h ILE 482 Cb 0.65 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 37.65 2r6y h ILE 482 CO -0.43 0.35 -0.04 0.74 0.00 0.00 0.00 178.15 178.77 2r6y h THR 483 N 0.67 0.89 -0.99 -0.27 2.02 -0.46 0.42 112.91 115.18 2r6y h THR 483 Ca 0.13 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.41 2r6y h THR 483 Cb 0.46 0.89 -0.08 0.00 -1.74 0.00 0.00 68.15 67.68 2r6y h THR 483 CO 0.02 0.00 0.63 0.44 0.37 0.00 0.00 175.52 176.98 2r6y h ASP 484 N -0.04 0.94 -0.14 4.18 3.32 -1.05 -1.34 116.42 122.29 2r6y h ASP 484 Ca 0.03 0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.09 2r6y h ASP 484 Cb 0.09 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.48 2r6y h ASP 484 CO -0.07 0.53 -0.03 0.74 -1.72 0.00 0.00 179.24 178.69 2r6y h THR 485 N 1.03 1.28 -0.19 0.35 2.02 -0.55 -0.46 112.91 116.39 2r6y h THR 485 Ca 0.48 -0.95 0.04 0.00 0.77 0.00 0.00 66.41 66.75 2r6y h THR 485 Cb 0.40 1.63 -0.03 0.00 -1.74 0.00 0.00 68.15 68.41 2r6y h THR 485 CO -0.24 0.28 -0.03 -0.07 0.37 0.00 0.00 175.52 175.82 2r6y h LEU 486 N -0.04 -0.15 -0.87 2.58 3.38 -0.58 -1.83 115.31 117.80 2r6y h LEU 486 Ca 0.04 0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.07 2r6y h LEU 486 Cb 0.44 0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.25 2r6y h LEU 486 CO 0.01 -0.05 0.58 0.40 0.09 0.00 0.00 178.44 179.47 2r6y h ILE 487 N 0.02 1.22 -0.14 1.22 1.08 -1.18 -2.36 117.51 117.37 2r6y h ILE 487 Ca 0.09 -0.41 0.02 0.00 -0.39 0.00 0.00 64.86 64.18 2r6y h ILE 487 Cb 0.13 -0.06 -0.02 0.00 -3.07 0.00 0.00 36.82 33.80 2r6y h ILE 487 CO -0.19 0.22 -0.01 -0.74 -0.69 0.00 0.00 178.15 176.74 2r6y h HIS 488 N 1.18 -0.03 -0.95 1.37 2.76 -0.81 0.13 115.15 118.81 2r6y h HIS 488 Ca 0.32 0.01 0.13 0.00 -2.20 0.00 0.00 60.37 58.63 2r6y h HIS 488 Cb -0.14 0.03 -0.09 0.00 1.55 0.00 0.00 27.41 28.77 2r6y h HIS 488 CO -0.01 -0.03 0.57 -0.07 -1.30 0.00 0.00 177.93 177.08 2r6y h LEU 489 N 0.03 0.79 -0.34 0.26 3.38 -1.06 0.88 115.31 119.25 2r6y h LEU 489 Ca 0.07 0.06 -0.19 0.00 0.09 0.00 0.00 57.88 57.91 2r6y h LEU 489 Cb 0.09 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2r6y h LEU 489 CO -0.12 0.39 -0.63 0.24 0.09 0.00 0.00 178.44 178.41 2r6y h MET 490 N 0.86 0.70 -0.88 1.13 2.86 -0.92 -1.98 114.93 116.70 2r6y h MET 490 Ca 0.49 -0.49 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 2r6y h MET 490 Cb 0.56 0.08 -0.04 0.00 0.06 0.00 0.00 31.60 32.26 2r6y h MET 490 CO -0.30 1.11 0.48 0.00 1.06 0.00 0.00 176.91 179.26 2r6y h ALA 491 N 0.77 1.12 0.00 6.32 0.00 -0.44 -2.02 119.26 125.01 2r6y h ALA 491 Ca -0.01 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 2r6y h ALA 491 Cb 1.22 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 2r6y h ALA 491 CO 0.13 0.63 -0.08 0.87 0.00 0.00 0.00 179.25 180.80 2r6y h LYS 492 N 1.23 0.00 -0.01 0.00 1.57 -0.57 -2.15 116.57 116.63 2r6y h LYS 492 Ca 0.31 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.09 2r6y h LYS 492 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.34 2r6y h LYS 492 CO -0.05 0.08 -0.20 0.00 -0.57 0.00 0.00 179.45 178.71 2r6y n ALA 493 N -2.15 2.96 -0.45 3.86 0.00 -0.77 -4.95 120.51 119.01 2r6y n ALA 493 Ca -0.00 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.02 2r6y n ALA 493 Cb 0.30 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.62 2r6y n ALA 493 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2r6y n GLY 494 N 1.30 0.75 3.77 0.00 0.00 -0.81 -5.06 105.19 105.14 2r6y n GLY 494 Ca 0.14 -0.22 -0.37 0.00 0.00 0.00 0.00 46.02 45.56 2r6y n GLY 494 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2r6y s LEU 495 N 0.00 4.02 0.99 0.99 1.43 -0.78 -5.03 118.68 120.30 2r6y s LEU 495 Ca 0.00 2.33 -0.12 0.00 -1.03 0.00 0.00 54.13 55.31 2r6y s LEU 495 Cb 0.00 -4.23 0.18 0.00 0.03 0.00 0.00 46.19 42.18 2r6y s LEU 495 CO 0.00 -0.93 1.09 0.42 0.23 0.00 0.00 176.35 177.16 2r6y s THR 496 N -1.53 2.24 0.22 5.49 -4.23 -1.26 -4.65 115.64 111.92 2r6y s THR 496 Ca 0.63 0.08 -0.08 0.00 -1.18 0.00 0.00 61.69 61.14 2r6y s THR 496 Cb -0.29 -2.51 0.16 0.00 1.34 0.00 0.00 72.50 71.20 2r6y s THR 496 CO 0.36 -0.10 1.78 -0.07 -0.54 0.00 0.00 174.62 176.04 2r6y h LEU 497 N -1.88 0.43 -0.44 4.79 3.38 -1.98 -0.44 115.31 119.17 2r6y h LEU 497 Ca -0.54 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.49 2r6y h LEU 497 Cb 1.31 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 42.02 2r6y h LEU 497 CO 0.55 0.26 0.28 -0.61 0.09 0.00 0.00 178.44 179.02 2r6y h GLN 498 N 0.58 0.59 -0.25 1.13 4.15 -2.00 -1.57 115.11 117.74 2r6y h GLN 498 Ca 0.32 -0.04 -0.06 0.00 0.77 0.00 0.00 58.65 59.63 2r6y h GLN 498 Cb 0.31 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 27.86 2r6y h GLN 498 CO -0.25 0.41 -0.13 1.96 -1.93 0.00 0.00 178.83 178.90 2r6y h GLN 499 N 0.59 0.41 0.12 1.69 4.20 -1.75 -1.50 115.11 118.88 2r6y h GLN 499 Ca 0.16 -0.11 -0.01 0.00 0.06 0.00 0.00 58.65 58.75 2r6y h GLN 499 Cb -0.04 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.69 2r6y h GLN 499 CO -0.03 0.54 -0.06 1.96 -0.67 0.00 0.00 178.83 180.57 2r6y h GLN 500 N 0.38 -0.16 -0.57 1.46 4.20 -0.63 -0.72 115.11 119.08 2r6y h GLN 500 Ca 0.07 0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.76 2r6y h GLN 500 Cb 0.46 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.25 2r6y h GLN 500 CO 0.03 -0.04 0.24 0.45 -0.67 0.00 0.00 178.83 178.83 2r6y h HIS 501 N -0.23 0.86 -0.28 2.96 3.86 -1.16 -1.98 115.15 119.17 2r6y h HIS 501 Ca -0.02 -0.06 0.02 0.00 -1.16 0.00 0.00 60.37 59.16 2r6y h HIS 501 Cb 0.19 -0.26 -0.03 0.00 1.06 0.00 0.00 27.41 28.37 2r6y h HIS 501 CO -0.05 0.69 0.12 1.96 0.86 0.00 0.00 177.93 181.51 2r6y h GLN 502 N 0.78 0.25 -0.30 2.45 4.20 -1.20 -1.92 115.11 119.37 2r6y h GLN 502 Ca 0.19 -0.02 -0.16 0.00 0.06 0.00 0.00 58.65 58.72 2r6y h GLN 502 Cb 0.18 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 27.90 2r6y h GLN 502 CO -0.02 0.17 -0.47 -0.09 -0.67 0.00 0.00 178.83 177.75 2r6y h ARG 503 N 0.26 0.80 -0.57 1.46 2.43 -1.04 -1.94 114.38 115.78 2r6y h ARG 503 Ca 0.12 -0.46 0.06 0.00 -0.81 0.00 0.00 59.98 58.89 2r6y h ARG 503 Cb 0.07 0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 29.60 2r6y h ARG 503 CO -0.11 1.09 0.27 1.25 -1.51 0.00 0.00 179.97 180.96 2r6y h LEU 504 N 0.64 0.35 -0.41 3.80 5.85 -1.26 -0.91 115.31 123.37 2r6y h LEU 504 Ca 0.03 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 2r6y h LEU 504 Cb 1.05 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 42.04 2r6y h LEU 504 CO 0.10 0.23 0.25 0.00 -0.34 0.00 0.00 178.44 178.69 2r6y h ALA 505 N 1.33 0.53 -0.81 1.25 0.00 -1.19 -1.23 119.26 119.14 2r6y h ALA 505 Ca 0.26 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.13 2r6y h ALA 505 Cb 0.22 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 2r6y h ALA 505 CO -0.21 0.02 0.54 1.96 0.00 0.00 0.00 179.25 181.56 2r6y h GLN 506 N 0.55 1.06 -0.38 0.00 4.20 -0.98 -0.52 115.11 119.04 2r6y h GLN 506 Ca 0.15 -0.06 -0.04 0.00 0.06 0.00 0.00 58.65 58.76 2r6y h GLN 506 Cb -0.00 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 27.52 2r6y h GLN 506 CO -0.03 0.70 0.08 -0.07 -0.67 0.00 0.00 178.83 178.84 2r6y h LEU 507 N 1.09 0.58 -0.39 1.46 3.38 -0.85 -2.85 115.31 117.72 2r6y h LEU 507 Ca 0.30 -0.24 -0.14 0.00 0.09 0.00 0.00 57.88 57.89 2r6y h LEU 507 Cb -0.11 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 2r6y h LEU 507 CO -0.07 0.67 -0.68 -0.07 0.09 0.00 0.00 178.44 178.38 2r6y h LEU 508 N 0.46 0.00 -1.06 1.67 3.38 -0.83 -2.38 115.31 116.55 2r6y h LEU 508 Ca 0.12 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.99 2r6y h LEU 508 Cb 0.32 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 2r6y h LEU 508 CO 0.00 0.68 -0.42 -0.07 0.09 0.00 0.00 178.44 178.73 2r6y h LEU 509 N 0.00 0.11 -1.83 1.67 3.38 -1.06 -2.24 115.31 115.34 2r6y h LEU 509 Ca -0.01 -0.04 0.04 0.00 0.09 0.00 0.00 57.88 57.96 2r6y h LEU 509 Cb 1.35 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 42.05 2r6y h LEU 509 CO 0.09 0.52 0.20 0.40 0.09 0.00 0.00 178.44 179.74 2r6y h ILE 510 N 0.09 0.97 -0.00 1.22 2.04 -1.18 -2.46 117.51 118.18 2r6y h ILE 510 Ca 0.01 -0.07 -0.03 0.00 1.00 0.00 0.00 64.86 65.76 2r6y h ILE 510 Cb 0.78 0.73 -0.00 0.00 -0.74 0.00 0.00 36.82 37.59 2r6y h ILE 510 CO 0.06 0.04 -0.15 -0.07 0.00 0.00 0.00 178.15 178.03 2r6y h LEU 511 N 0.22 0.00 -0.93 1.44 3.38 -1.40 -1.18 115.31 116.83 2r6y h LEU 511 Ca 0.13 -0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.00 2r6y h LEU 511 Cb 0.23 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 2r6y h LEU 511 CO -0.02 0.15 -0.29 0.77 0.09 0.00 0.00 178.44 179.14 2r6y h SER 512 N 0.00 0.44 0.62 -0.43 4.64 -1.51 0.22 113.55 117.53 2r6y h SER 512 Ca -0.00 -0.16 -0.15 0.00 -0.47 0.00 0.00 61.79 61.01 2r6y h SER 512 Cb 0.26 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 62.22 2r6y h SER 512 CO 0.02 0.72 -0.69 0.45 -0.87 0.00 0.00 176.83 176.45 2r6y h HIS 513 N 0.38 0.09 -0.14 4.77 3.86 -1.38 -1.85 115.15 120.87 2r6y h HIS 513 Ca 0.05 -0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.21 2r6y h HIS 513 Cb 0.71 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 29.16 2r6y h HIS 513 CO 0.02 0.74 0.04 0.82 0.86 0.00 0.00 177.93 180.40 2r6y h ILE 514 N 0.04 1.19 -0.48 2.45 2.04 -0.75 -1.32 117.51 120.70 2r6y h ILE 514 Ca -0.01 -0.60 0.10 0.00 1.00 0.00 0.00 64.86 65.34 2r6y h ILE 514 Cb 1.23 1.34 -0.09 0.00 -0.74 0.00 0.00 36.82 38.55 2r6y h ILE 514 CO 0.10 0.18 -0.15 -0.09 0.00 0.00 0.00 178.15 178.19 2r6y h ARG 515 N 0.03 -0.04 -0.42 2.37 9.65 -0.54 -0.69 114.38 124.75 2r6y h ARG 515 Ca 0.04 0.00 0.02 0.00 -1.10 0.00 0.00 59.98 58.94 2r6y h ARG 515 Cb 0.25 0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 28.81 2r6y h ARG 515 CO -0.00 -0.02 0.25 1.25 2.80 0.00 0.00 179.97 184.24 2r6y h HIS 516 N -0.04 0.47 -0.72 2.20 2.76 -1.23 -0.65 115.15 117.94 2r6y h HIS 516 Ca 0.23 0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.38 2r6y h HIS 516 Cb 0.39 -0.15 -0.03 0.00 1.55 0.00 0.00 27.41 29.16 2r6y h HIS 516 CO -0.43 0.28 0.32 0.52 -1.30 0.00 0.00 177.93 177.31 2r6y h MET 517 N 0.50 1.06 -0.44 5.26 2.86 -0.74 -1.24 114.93 122.20 2r6y h MET 517 Ca 0.16 -0.18 0.04 0.00 -2.06 0.00 0.00 59.70 57.67 2r6y h MET 517 Cb -0.00 -0.18 -0.04 0.00 0.06 0.00 0.00 31.60 31.44 2r6y h MET 517 CO -0.07 0.85 0.20 1.03 1.06 0.00 0.00 176.91 179.98 2r6y h SER 518 N 1.02 0.27 -0.40 1.22 0.87 -0.88 0.29 113.55 115.93 2r6y h SER 518 Ca 0.24 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.84 2r6y h SER 518 Cb 0.17 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.09 2r6y h SER 518 CO -0.03 0.19 0.25 0.78 -0.53 0.00 0.00 176.83 177.50 2r6y h ASN 519 N 0.40 0.48 0.08 6.23 2.35 -0.79 0.32 115.58 124.66 2r6y h ASN 519 Ca 0.19 -0.04 -0.12 0.00 -0.55 0.00 0.00 56.30 55.78 2r6y h ASN 519 Cb 0.13 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.37 2r6y h ASN 519 CO -0.16 0.38 -0.41 0.11 -1.65 0.00 0.00 177.43 175.70 2r6y h LYS 520 N 0.54 0.41 -0.25 0.81 1.79 -1.10 -2.26 116.57 116.51 2r6y h LYS 520 Ca 0.15 -0.20 -0.01 0.00 -2.18 0.00 0.00 60.65 58.40 2r6y h LYS 520 Cb -0.02 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.62 2r6y h LYS 520 CO -0.03 0.75 0.12 0.78 -1.08 0.00 0.00 179.45 179.99 2r6y h GLY 521 N 1.14 0.38 0.96 3.86 0.00 0.13 -2.12 103.07 107.42 2r6y h GLY 521 Ca 0.03 -0.19 0.03 0.00 0.00 0.00 0.00 47.33 47.20 2r6y h GLY 521 CO 0.07 0.18 0.65 -0.33 0.00 0.00 0.00 176.54 177.10 2r6y h MET 522 N 0.27 1.24 -0.42 4.80 2.86 -0.20 0.28 114.93 123.76 2r6y h MET 522 Ca 0.08 -0.07 -0.03 0.00 -2.06 0.00 0.00 59.70 57.62 2r6y h MET 522 Cb 0.11 -0.28 -0.02 0.00 0.06 0.00 0.00 31.60 31.48 2r6y h MET 522 CO -0.01 0.82 0.14 0.93 1.06 0.00 0.00 176.91 179.85 2r6y h GLU 523 N 1.28 0.65 0.02 1.72 5.08 -1.33 -0.63 114.58 121.36 2r6y h GLU 523 Ca 0.38 -0.13 -0.00 0.00 -1.00 0.00 0.00 59.36 58.60 2r6y h GLU 523 Cb -0.06 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.09 2r6y h GLU 523 CO -0.10 0.63 -0.01 1.25 -1.00 0.00 0.00 179.01 179.78 2r6y h HIS 524 N 0.54 -0.02 -0.52 4.33 2.76 -1.09 -2.22 115.15 118.93 2r6y h HIS 524 Ca 0.14 -0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.27 2r6y h HIS 524 Cb 0.24 0.01 -0.02 0.00 1.55 0.00 0.00 27.41 29.19 2r6y h HIS 524 CO 0.01 0.04 0.16 -0.07 -1.30 0.00 0.00 177.93 176.76 2r6y h LEU 525 N -0.08 0.71 -1.52 0.26 3.38 -0.85 -1.12 115.31 116.09 2r6y h LEU 525 Ca -0.00 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.81 2r6y h LEU 525 Cb 0.07 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 2r6y h LEU 525 CO 0.00 0.68 -0.25 0.22 0.09 0.00 0.00 178.44 179.19 2r6y h TYR 526 N 0.76 0.00 0.00 1.13 5.03 -1.02 -2.32 116.97 120.54 2r6y h TYR 526 Ca 0.17 0.00 -0.06 0.00 2.58 0.00 0.00 58.73 61.42 2r6y h TYR 526 Cb 0.23 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.50 2r6y h TYR 526 CO 0.01 0.25 -0.31 0.66 -1.32 0.00 0.00 178.16 177.45 2r6y h SER 527 N 0.00 0.00 0.00 -2.11 4.64 -0.60 -3.51 113.55 111.97 2r6y h SER 527 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2r6y h SER 527 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 2r6y h SER 527 CO 0.03 0.31 0.00 0.23 -0.87 0.00 0.00 176.83 176.53 2r6y n MET 528 N -3.22 0.00 -0.03 4.77 2.81 -0.64 -5.10 117.12 115.71 2r6y n MET 528 Ca 0.02 0.00 -0.01 0.00 -1.81 0.00 0.00 57.70 55.90 2r6y n MET 528 Cb 0.62 -0.63 -0.00 0.00 -0.71 0.00 0.00 33.22 32.49 2r6y n MET 528 CO 0.00 0.00 0.00 1.55 1.51 0.00 0.00 175.97 179.03 2r6y n VAL 534 N -0.43 0.03 -1.58 2.03 3.14 -1.26 -5.11 118.33 115.16 2r6y n VAL 534 Ca 0.00 -0.01 -0.48 0.00 -2.96 0.00 0.00 64.34 60.89 2r6y n VAL 534 Cb 0.00 0.00 -0.04 0.00 -1.06 0.00 0.00 33.84 32.74 2r6y n VAL 534 CO 0.00 0.00 0.00 -0.81 -6.46 0.00 0.00 176.83 169.56 2r6y n PRO 535 N 0.02 1.18 -0.33 1.45 -0.04 -1.26 -4.76 135.00 131.26 2r6y n PRO 535 Ca 0.00 0.42 0.16 0.00 -0.04 0.00 0.00 63.50 64.04 2r6y n PRO 535 Cb 0.00 -1.90 0.35 0.00 -0.04 0.00 0.00 33.50 31.92 2r6y n PRO 535 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 2r6y h LEU 536 N 3.19 0.56 -0.61 1.53 5.85 -2.03 0.19 115.31 123.99 2r6y h LEU 536 Ca -0.43 0.14 0.13 0.00 0.84 0.00 0.00 57.88 58.56 2r6y h LEU 536 Cb 1.34 0.06 -0.10 0.00 0.37 0.00 0.00 40.66 42.33 2r6y h LEU 536 CO 0.69 0.08 0.00 0.22 -0.34 0.00 0.00 178.44 179.09 2r6y h TYR 537 N 0.53 -0.04 -0.19 1.25 5.03 -1.95 -1.22 116.97 120.38 2r6y h TYR 537 Ca 0.61 0.05 -0.09 0.00 2.58 0.00 0.00 58.73 61.88 2r6y h TYR 537 Cb 1.14 0.11 -0.01 0.00 1.55 0.00 0.00 36.73 39.52 2r6y h TYR 537 CO -0.05 -0.16 -0.26 -0.44 -1.32 0.00 0.00 178.16 175.93 2r6y h ASP 538 N 0.12 0.34 -0.27 -2.11 3.32 -0.97 -1.71 116.42 115.14 2r6y h ASP 538 Ca 0.32 -0.11 -0.05 0.00 0.02 0.00 0.00 57.03 57.21 2r6y h ASP 538 Cb 0.52 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.96 2r6y h ASP 538 CO -0.53 0.61 -0.01 0.25 -1.72 0.00 0.00 179.24 177.84 2r6y h LEU 539 N 0.31 0.48 -0.12 1.55 6.46 -0.89 -1.54 115.31 121.56 2r6y h LEU 539 Ca 0.05 -0.32 -0.04 0.00 -0.12 0.00 0.00 57.88 57.45 2r6y h LEU 539 Cb 0.62 -0.13 -0.00 0.00 -0.73 0.00 0.00 40.66 40.42 2r6y h LEU 539 CO 0.04 0.68 -0.09 -0.07 -0.62 0.00 0.00 178.44 178.38 2r6y h LEU 540 N 0.26 0.29 -0.52 2.25 3.38 -1.25 -1.68 115.31 118.04 2r6y h LEU 540 Ca 0.08 -0.46 0.06 0.00 0.09 0.00 0.00 57.88 57.65 2r6y h LEU 540 Cb 0.44 -0.08 -0.09 0.00 0.09 0.00 0.00 40.66 41.02 2r6y h LEU 540 CO 0.02 0.68 -0.56 0.25 0.09 0.00 0.00 178.44 178.92 2r6y h LEU 541 N -0.11 -1.92 -0.76 1.67 5.85 -1.36 0.34 115.31 119.02 2r6y h LEU 541 Ca 0.02 0.26 0.18 0.00 0.84 0.00 0.00 57.88 59.18 2r6y h LEU 541 Cb 0.59 0.80 -0.12 0.00 0.37 0.00 0.00 40.66 42.30 2r6y h LEU 541 CO 0.02 -0.37 0.11 -0.08 -0.34 0.00 0.00 178.44 177.78 2r6y h GLU 542 N -0.33 0.18 -0.17 1.25 4.57 -1.17 0.07 114.58 118.98 2r6y h GLU 542 Ca 0.09 -0.01 -0.15 0.00 -1.18 0.00 0.00 59.36 58.11 2r6y h GLU 542 Cb 0.56 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.12 2r6y h GLU 542 CO -0.66 0.12 -0.49 0.52 -1.18 0.00 0.00 179.01 177.32 2r6y h MET 543 N 0.18 0.62 0.00 1.92 2.86 -0.21 -3.29 114.93 117.02 2r6y h MET 543 Ca 0.43 -0.45 -0.08 0.00 -2.06 0.00 0.00 59.70 57.55 2r6y h MET 543 Cb 0.77 0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.50 2r6y h MET 543 CO -0.60 1.07 -0.36 -0.07 1.06 0.00 0.00 176.91 178.01 2r6y h LEU 544 N 0.29 0.00 -7.83 1.22 3.38 -0.03 -3.39 115.31 108.95 2r6y h LEU 544 Ca -0.01 0.00 -0.70 0.00 0.09 0.00 0.00 57.88 57.26 2r6y h LEU 544 Cb 1.11 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.73 2r6y h LEU 544 CO 0.10 0.36 1.70 -0.62 0.09 0.00 0.00 178.44 180.07 2r6y s ASP 545 N -6.35 6.89 0.45 -0.43 2.15 -0.02 -4.98 116.67 114.38 2r6y s ASP 545 Ca 0.02 -2.56 -0.20 0.00 0.43 0.00 0.00 52.55 50.24 2r6y s ASP 545 Cb 0.09 -2.49 -0.10 0.00 -0.30 0.00 0.00 42.92 40.12 2r6y s ASP 545 CO 0.69 -1.02 0.96 0.00 -0.17 0.00 0.00 175.17 175.64 2r6y s ALA 546 N 3.09 3.03 0.56 3.66 0.00 -1.26 -4.91 121.76 125.93 2r6y s ALA 546 Ca 0.47 0.38 -0.01 0.00 0.00 0.00 0.00 51.96 52.80 2r6y s ALA 546 Cb 0.00 -3.15 0.03 0.00 0.00 0.00 0.00 23.12 20.00 2r6y s ALA 546 CO 0.02 0.03 0.80 -3.38 0.00 0.00 0.00 175.76 173.24 2r6y s HIS 547 N -2.25 2.97 -0.48 0.00 -3.43 -1.26 -5.05 115.29 105.80 2r6y s HIS 547 Ca 0.62 0.16 0.04 0.00 -0.80 0.00 0.00 55.06 55.08 2r6y s HIS 547 Cb -0.10 -2.73 0.43 0.00 -1.43 0.00 0.00 32.58 28.75 2r6y s HIS 547 CO 0.17 -0.85 1.38 2.89 -2.00 0.00 0.00 174.74 176.33 2r6y n ARG 548 N -2.40 3.30 0.00 -0.38 1.85 -1.26 -5.27 116.66 112.50 2r6y n ARG 548 Ca 0.06 -4.11 0.14 0.00 -1.00 0.00 0.00 57.85 52.94 2r6y n ARG 548 Cb 0.59 -2.27 0.45 0.00 -1.05 0.00 0.00 32.46 30.19 2r6y n ARG 548 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90