#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gwq s LYS 302 N 0.00 2.96 0.82 1.43 1.02 -1.26 -5.04 119.74 119.67 1gwq s LYS 302 Ca 0.00 0.78 -0.11 0.00 0.02 0.00 0.00 55.97 56.66 1gwq s LYS 302 Cb 0.00 -2.01 0.08 0.00 -0.52 0.00 0.00 37.83 35.39 1gwq s LYS 302 CO 0.00 -1.04 1.09 -1.59 -0.92 0.00 0.00 175.35 172.89 1gwq s LYS 303 N -5.14 1.88 0.28 1.68 -2.85 -1.26 -4.91 119.74 109.42 1gwq s LYS 303 Ca 0.58 0.87 -0.30 0.00 -1.00 0.00 0.00 55.97 56.11 1gwq s LYS 303 Cb -0.13 -1.88 -0.12 0.00 -2.06 0.00 0.00 37.83 33.64 1gwq s LYS 303 CO 0.54 -1.82 1.48 0.27 0.10 0.00 0.00 175.35 175.92 1gwq n ASN 304 N -3.60 3.26 -4.77 0.03 6.94 -1.26 -4.92 115.26 110.94 1gwq n ASN 304 Ca 0.08 1.15 -0.40 0.00 -0.02 0.00 0.00 54.58 55.39 1gwq n ASN 304 Cb 0.55 -1.51 0.00 0.00 -2.36 0.00 0.00 39.78 36.46 1gwq n ASN 304 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 1gwq s SER 305 N 0.31 6.22 0.47 0.53 0.15 -1.26 -4.88 113.70 115.23 1gwq s SER 305 Ca 0.65 2.78 0.14 0.00 0.70 0.00 0.00 55.95 60.22 1gwq s SER 305 Cb -0.57 -2.65 1.11 0.00 -1.71 0.00 0.00 66.02 62.20 1gwq s SER 305 CO 0.51 -0.92 2.06 -0.07 1.20 0.00 0.00 173.24 176.01 1gwq h LEU 306 N 2.67 0.23 -1.88 3.45 3.38 -2.02 -1.42 115.31 119.73 1gwq h LEU 306 Ca -0.50 -0.00 0.13 0.00 0.09 0.00 0.00 57.88 57.59 1gwq h LEU 306 Cb 1.25 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.93 1gwq h LEU 306 CO 0.63 0.16 0.52 0.00 0.09 0.00 0.00 178.44 179.83 1gwq h ALA 307 N 1.81 2.13 -0.00 1.53 0.00 -1.94 0.22 119.26 123.01 1gwq h ALA 307 Ca 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1gwq h ALA 307 Cb 0.27 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1gwq h ALA 307 CO -0.03 -0.74 -0.08 1.28 0.00 0.00 0.00 179.25 179.68 1gwq n LEU 308 N -3.59 0.50 0.08 0.00 4.77 -0.53 -3.79 117.00 114.44 1gwq n LEU 308 Ca 0.08 -0.04 0.10 0.00 -0.03 0.00 0.00 56.01 56.12 1gwq n LEU 308 Cb 0.69 -0.14 -0.04 0.00 -2.33 0.00 0.00 43.42 41.60 1gwq n LEU 308 CO 0.26 0.09 -0.15 -1.20 -1.33 0.00 0.00 177.39 175.05 1gwq n SER 309 N -0.85 0.72 -4.68 -1.43 7.64 0.78 -4.96 113.62 110.85 1gwq n SER 309 Ca 0.16 0.28 -0.42 0.00 1.01 0.00 0.00 58.87 59.91 1gwq n SER 309 Cb 0.26 0.65 0.00 0.00 -1.01 0.00 0.00 64.21 64.11 1gwq n SER 309 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1gwq n LEU 310 N -2.65 3.44 -4.94 -3.43 4.77 -1.25 -5.02 117.00 107.93 1gwq n LEU 310 Ca -0.02 1.14 -0.28 0.00 -0.03 0.00 0.00 56.01 56.81 1gwq n LEU 310 Cb 0.60 -1.45 0.16 0.00 -2.33 0.00 0.00 43.42 40.40 1gwq n LEU 310 CO 0.41 -0.79 0.80 0.42 -1.33 0.00 0.00 177.39 176.90 1gwq s THR 311 N -1.16 2.04 0.14 -5.08 -4.23 -1.26 -4.84 115.64 101.25 1gwq s THR 311 Ca 0.59 -0.13 -0.17 0.00 -1.18 0.00 0.00 61.69 60.80 1gwq s THR 311 Cb -0.55 -2.90 -0.01 0.00 1.34 0.00 0.00 72.50 70.37 1gwq s THR 311 CO 0.59 0.00 1.80 0.00 -0.54 0.00 0.00 174.62 176.48 1gwq h ALA 312 N -1.35 0.44 -0.46 3.99 0.00 -1.93 -1.72 119.26 118.23 1gwq h ALA 312 Ca -0.43 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.39 1gwq h ALA 312 Cb 1.25 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 1gwq h ALA 312 CO 0.41 -0.10 -0.01 0.22 0.00 0.00 0.00 179.25 179.77 1gwq h ASP 313 N 0.47 0.72 0.12 0.00 1.82 -1.95 -2.14 116.42 115.46 1gwq h ASP 313 Ca 0.13 -0.17 -0.14 0.00 -0.39 0.00 0.00 57.03 56.46 1gwq h ASP 313 Cb -0.05 -0.19 -0.01 0.00 0.68 0.00 0.00 39.33 39.76 1gwq h ASP 313 CO -0.03 0.79 -0.48 1.56 -1.61 0.00 0.00 179.24 179.47 1gwq h GLN 314 N 0.70 0.42 -0.33 0.28 4.20 -1.77 -2.30 115.11 116.30 1gwq h GLN 314 Ca 0.14 -0.23 -0.03 0.00 0.06 0.00 0.00 58.65 58.59 1gwq h GLN 314 Cb 0.44 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.22 1gwq h GLN 314 CO 0.02 0.81 0.11 1.98 -0.67 0.00 0.00 178.83 181.08 1gwq h MET 315 N 0.33 0.52 0.05 1.46 4.05 -1.01 -1.04 114.93 119.29 1gwq h MET 315 Ca 0.02 -0.11 0.02 0.00 -0.28 0.00 0.00 59.70 59.35 1gwq h MET 315 Cb 0.97 -0.08 -0.03 0.00 -0.80 0.00 0.00 31.60 31.66 1gwq h MET 315 CO 0.08 0.54 -0.20 0.28 0.23 0.00 0.00 176.91 177.85 1gwq h VAL 316 N 0.39 0.54 -0.99 -5.77 2.07 -1.33 0.39 116.25 111.54 1gwq h VAL 316 Ca 0.11 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.66 1gwq h VAL 316 Cb 0.24 0.54 -0.06 0.00 -1.52 0.00 0.00 31.29 30.49 1gwq h VAL 316 CO -0.00 0.00 0.65 0.28 0.02 0.00 0.00 177.57 178.52 1gwq h SER 317 N -0.35 1.09 -0.53 0.57 0.02 -1.31 0.17 113.55 113.20 1gwq h SER 317 Ca 0.04 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.95 1gwq h SER 317 Cb 0.40 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.66 1gwq h SER 317 CO -0.15 0.75 0.22 0.00 -1.14 0.00 0.00 176.83 176.51 1gwq h ALA 318 N 1.42 0.69 -0.23 3.77 0.00 -0.42 -1.55 119.26 122.94 1gwq h ALA 318 Ca 0.39 -0.15 -0.15 0.00 0.00 0.00 0.00 54.91 55.00 1gwq h ALA 318 Cb -0.01 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1gwq h ALA 318 CO -0.12 0.30 -0.49 -0.07 0.00 0.00 0.00 179.25 178.87 1gwq h LEU 319 N 0.72 0.68 -0.42 0.00 3.38 0.11 -2.06 115.31 117.73 1gwq h LEU 319 Ca 0.18 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 1gwq h LEU 319 Cb 0.18 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1gwq h LEU 319 CO -0.02 1.05 0.24 -0.07 0.09 0.00 0.00 178.44 179.73 1gwq h LEU 320 N 0.49 0.52 -1.67 1.67 3.38 -0.64 -2.92 115.31 116.13 1gwq h LEU 320 Ca 0.02 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1gwq h LEU 320 Cb 1.03 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 1gwq h LEU 320 CO 0.10 0.45 -0.01 -0.78 0.09 0.00 0.00 178.44 178.28 1gwq h ASP 321 N 0.55 0.17 1.52 -0.43 3.58 -1.19 -2.58 116.42 118.03 1gwq h ASP 321 Ca 0.15 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.58 1gwq h ASP 321 Cb 0.04 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.05 1gwq h ASP 321 CO -0.03 0.22 -0.10 0.00 -2.88 0.00 0.00 179.24 176.45 1gwq h ALA 322 N 1.81 0.94 -1.35 -0.78 0.00 -1.19 -3.47 119.26 115.22 1gwq h ALA 322 Ca 0.04 0.00 -0.67 0.00 0.00 0.00 0.00 54.91 54.28 1gwq h ALA 322 Cb 0.16 0.00 0.09 0.00 0.00 0.00 0.00 17.79 18.04 1gwq h ALA 322 CO 0.00 0.00 -0.12 0.39 0.00 0.00 0.00 179.25 179.53 1gwq n GLU 323 N -2.47 0.52 -1.33 0.00 -0.58 -0.98 -4.65 120.64 111.15 1gwq n GLU 323 Ca 0.05 0.18 -0.30 0.00 -0.42 0.00 0.00 57.16 56.67 1gwq n GLU 323 Cb 0.46 -1.46 0.11 0.00 -0.57 0.00 0.00 31.44 29.98 1gwq n GLU 323 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 1gwq s PRO 324 N -0.77 1.89 0.59 3.49 0.04 -1.26 -5.01 135.00 133.98 1gwq s PRO 324 Ca 0.70 0.89 -0.19 0.00 0.04 0.00 0.00 61.00 62.44 1gwq s PRO 324 Cb -0.93 -1.88 -0.04 0.00 0.04 0.00 0.00 34.50 31.70 1gwq s PRO 324 CO 0.56 -1.82 1.23 -2.14 0.04 0.00 0.00 177.00 174.87 1gwq s PRO 325 N -4.98 2.96 0.29 0.56 0.02 -1.26 -4.99 135.00 127.60 1gwq s PRO 325 Ca 0.62 1.89 -0.28 0.00 0.02 0.00 0.00 61.00 63.25 1gwq s PRO 325 Cb -0.17 -1.96 -0.09 0.00 0.02 0.00 0.00 34.50 32.30 1gwq s PRO 325 CO 0.56 -1.23 0.98 0.42 -0.33 0.00 0.00 177.00 177.40 1gwq s ILE 326 N -1.54 3.99 0.21 2.83 1.01 -1.26 -5.05 121.20 121.39 1gwq s ILE 326 Ca 0.77 1.81 0.09 0.00 0.00 0.00 0.00 60.65 63.32 1gwq s ILE 326 Cb -0.32 -4.08 -0.05 0.00 0.01 0.00 0.00 42.46 38.03 1gwq s ILE 326 CO 0.35 0.29 -0.17 -0.76 0.00 0.00 0.00 174.94 174.66 1gwq s LEU 327 N -1.71 2.53 0.03 2.97 1.43 -1.26 -5.14 118.68 117.53 1gwq s LEU 327 Ca 0.47 -0.98 0.06 0.00 -1.03 0.00 0.00 54.13 52.65 1gwq s LEU 327 Cb -0.24 -0.79 -0.03 0.00 0.03 0.00 0.00 46.19 45.16 1gwq s LEU 327 CO 0.30 -0.09 -0.14 -0.31 0.23 0.00 0.00 176.35 176.33 1gwq s TYR 328 N -2.63 2.67 0.80 0.29 1.51 -1.26 -4.43 117.35 114.30 1gwq s TYR 328 Ca 0.22 -0.19 -0.11 0.00 -1.01 0.00 0.00 57.07 55.98 1gwq s TYR 328 Cb -0.03 -1.51 0.07 0.00 -0.11 0.00 0.00 41.96 40.39 1gwq s TYR 328 CO 0.08 0.30 1.09 0.45 -1.11 0.00 0.00 175.55 176.35 1gwq s SER 329 N -1.47 4.33 -0.09 2.29 0.15 -1.26 -5.06 113.70 112.59 1gwq s SER 329 Ca 0.16 1.64 -0.13 0.00 0.70 0.00 0.00 55.95 58.32 1gwq s SER 329 Cb -0.11 -2.36 -0.10 0.00 -1.71 0.00 0.00 66.02 61.73 1gwq s SER 329 CO 0.06 -2.12 0.44 -0.08 1.20 0.00 0.00 173.24 172.74 1gwq h GLU 330 N -1.19 -0.10 0.00 5.44 4.22 -1.96 -3.50 114.58 117.49 1gwq h GLU 330 Ca -0.46 0.01 -0.06 0.00 0.08 0.00 0.00 59.36 58.93 1gwq h GLU 330 Cb 1.25 0.02 0.04 0.00 0.50 0.00 0.00 28.75 30.56 1gwq h GLU 330 CO 0.54 0.25 -0.03 -2.30 -2.18 0.00 0.00 179.01 175.29 1gwq n PRO 336 N -4.81 -0.52 -4.97 0.92 -0.02 -1.26 -5.10 135.00 119.25 1gwq n PRO 336 Ca -0.05 -0.24 -0.31 0.00 -2.02 0.00 0.00 63.50 60.88 1gwq n PRO 336 Cb 0.19 -0.47 -0.14 0.00 -0.02 0.00 0.00 33.50 33.06 1gwq n PRO 336 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 1gwq s PHE 337 N -1.00 2.51 0.28 6.00 0.08 -1.26 -4.99 117.98 119.59 1gwq s PHE 337 Ca 0.11 -0.30 0.10 0.00 0.12 0.00 0.00 56.93 56.96 1gwq s PHE 337 Cb -0.02 -1.52 -0.04 0.00 -0.57 0.00 0.00 43.02 40.87 1gwq s PHE 337 CO 0.09 0.12 -0.01 -1.54 -0.10 0.00 0.00 175.22 173.79 1gwq s SER 338 N -0.92 4.44 0.23 1.36 1.04 -1.26 -4.91 113.70 113.67 1gwq s SER 338 Ca 0.12 -0.71 -0.13 0.00 0.48 0.00 0.00 55.95 55.71 1gwq s SER 338 Cb -0.10 -0.77 0.28 0.00 0.10 0.00 0.00 66.02 65.53 1gwq s SER 338 CO 0.01 -0.04 1.61 -0.08 0.98 0.00 0.00 173.24 175.72 1gwq h GLU 339 N 1.89 -0.01 0.00 4.02 4.81 -2.00 0.23 114.58 123.51 1gwq h GLU 339 Ca -0.44 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 58.71 1gwq h GLU 339 Cb 1.25 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.62 1gwq h GLU 339 CO 0.61 -0.01 -0.38 0.00 -0.73 0.00 0.00 179.01 178.50 1gwq h ALA 340 N 1.66 1.26 0.04 2.92 0.00 -1.91 -2.95 119.26 120.28 1gwq h ALA 340 Ca 0.34 -0.35 -0.24 0.00 0.00 0.00 0.00 54.91 54.66 1gwq h ALA 340 Cb 0.54 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1gwq h ALA 340 CO -0.75 0.48 -1.04 1.03 0.00 0.00 0.00 179.25 178.97 1gwq h SER 341 N 0.00 0.50 -0.00 0.00 0.87 -0.99 -2.67 113.55 111.26 1gwq h SER 341 Ca -0.00 -0.44 -0.02 0.00 -1.23 0.00 0.00 61.79 60.10 1gwq h SER 341 Cb 0.73 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.53 1gwq h SER 341 CO 0.05 1.27 -0.06 -0.03 -0.53 0.00 0.00 176.83 177.52 1gwq h MET 342 N 0.18 0.05 -0.16 2.24 -1.53 -1.25 -2.72 114.93 111.74 1gwq h MET 342 Ca -0.10 -0.05 0.05 0.00 -3.44 0.00 0.00 59.70 56.16 1gwq h MET 342 Cb 1.70 0.01 -0.01 0.00 -0.55 0.00 0.00 31.60 32.76 1gwq h MET 342 CO 0.18 0.79 0.12 0.52 0.14 0.00 0.00 176.91 178.66 1gwq h MET 343 N -0.68 0.00 -0.21 0.39 2.07 -1.65 0.17 114.93 115.03 1gwq h MET 343 Ca -0.01 0.00 -0.03 0.00 -2.07 0.00 0.00 59.70 57.59 1gwq h MET 343 Cb 0.81 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 30.53 1gwq h MET 343 CO 0.01 0.00 -0.00 0.78 1.07 0.00 0.00 176.91 178.77 1gwq h GLY 344 N 0.00 0.40 0.93 8.32 0.00 -1.41 -2.35 103.07 108.95 1gwq h GLY 344 Ca 0.07 -0.30 -0.04 0.00 0.00 0.00 0.00 47.33 47.07 1gwq h GLY 344 CO -0.00 0.27 0.07 1.41 0.00 0.00 0.00 176.54 178.29 1gwq h LEU 345 N 0.13 0.60 -0.74 3.11 3.38 -0.35 -1.32 115.31 120.12 1gwq h LEU 345 Ca 0.06 -0.25 -0.13 0.00 0.09 0.00 0.00 57.88 57.64 1gwq h LEU 345 Cb 0.40 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1gwq h LEU 345 CO 0.01 0.70 -0.59 -0.07 0.09 0.00 0.00 178.44 178.58 1gwq h LEU 346 N 0.48 0.15 0.14 1.67 3.38 -1.47 -1.30 115.31 118.36 1gwq h LEU 346 Ca 0.12 -0.08 -0.29 0.00 0.09 0.00 0.00 57.88 57.72 1gwq h LEU 346 Cb 0.35 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 41.06 1gwq h LEU 346 CO 0.01 0.70 -1.31 0.74 0.09 0.00 0.00 178.44 178.67 1gwq h THR 347 N 0.10 1.43 -0.22 0.22 2.02 -1.42 -0.22 112.91 114.83 1gwq h THR 347 Ca -0.00 -2.99 -0.15 0.00 0.77 0.00 0.00 66.41 64.04 1gwq h THR 347 Cb 1.06 2.94 -0.01 0.00 -1.74 0.00 0.00 68.15 70.41 1gwq h THR 347 CO 0.08 0.88 -0.48 -1.13 0.37 0.00 0.00 175.52 175.24 1gwq h ASN 348 N 0.08 0.64 -0.39 4.18 -0.73 -1.20 -1.20 115.58 116.97 1gwq h ASN 348 Ca -0.16 -0.32 -0.10 0.00 1.87 0.00 0.00 56.30 57.60 1gwq h ASN 348 Cb 2.01 -0.18 -0.01 0.00 0.27 0.00 0.00 38.32 40.40 1gwq h ASN 348 CO 0.21 1.02 -0.13 0.25 -0.37 0.00 0.00 177.43 178.41 1gwq h LEU 349 N 0.47 0.79 0.25 0.34 5.85 -1.17 -2.76 115.31 119.08 1gwq h LEU 349 Ca 0.02 -0.38 -0.01 0.00 0.84 0.00 0.00 57.88 58.35 1gwq h LEU 349 Cb 1.01 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.83 1gwq h LEU 349 CO 0.09 0.99 -0.12 0.00 -0.34 0.00 0.00 178.44 179.06 1gwq h ALA 350 N 0.82 -0.34 -0.49 1.25 0.00 -0.86 0.04 119.26 119.68 1gwq h ALA 350 Ca 0.09 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.97 1gwq h ALA 350 Cb 0.67 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 1gwq h ALA 350 CO 0.05 -0.69 0.26 0.22 0.00 0.00 0.00 179.25 179.08 1gwq h ASP 351 N -0.34 0.37 -0.64 0.00 3.58 -1.23 0.28 116.42 118.44 1gwq h ASP 351 Ca -0.03 0.02 -0.02 0.00 0.42 0.00 0.00 57.03 57.42 1gwq h ASP 351 Cb 0.26 -0.05 -0.03 0.00 1.72 0.00 0.00 39.33 41.23 1gwq h ASP 351 CO 0.06 0.26 0.32 0.03 -2.88 0.00 0.00 179.24 177.03 1gwq h ARG 352 N 0.50 0.91 -0.25 0.28 3.08 -1.33 -2.17 114.38 115.40 1gwq h ARG 352 Ca 0.21 -0.12 -0.05 0.00 0.07 0.00 0.00 59.98 60.09 1gwq h ARG 352 Cb 0.11 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 1gwq h ARG 352 CO -0.14 0.71 -0.05 0.93 -1.07 0.00 0.00 179.97 180.35 1gwq h GLU 353 N 0.88 0.39 -0.51 0.04 5.08 -0.27 -2.28 114.58 117.91 1gwq h GLU 353 Ca 0.22 -0.08 0.04 0.00 -1.00 0.00 0.00 59.36 58.54 1gwq h GLU 353 Cb 0.09 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.24 1gwq h GLU 353 CO -0.03 0.46 0.27 -0.07 -1.00 0.00 0.00 179.01 178.64 1gwq h LEU 354 N 0.38 0.40 -0.41 1.33 3.38 0.19 0.74 115.31 121.32 1gwq h LEU 354 Ca 0.08 0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.15 1gwq h LEU 354 Cb 0.33 -0.05 -0.07 0.00 0.09 0.00 0.00 40.66 40.96 1gwq h LEU 354 CO 0.01 0.28 0.00 0.58 0.09 0.00 0.00 178.44 179.40 1gwq h VAL 355 N 0.53 0.69 0.00 1.22 2.07 -1.20 -0.11 116.25 119.45 1gwq h VAL 355 Ca 0.22 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.71 1gwq h VAL 355 Cb 0.11 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 1gwq h VAL 355 CO -0.15 0.02 0.00 0.45 0.02 0.00 0.00 177.57 177.91 1gwq h HIS 356 N 0.11 0.00 -0.20 1.57 3.86 -1.28 -2.83 115.15 116.38 1gwq h HIS 356 Ca 0.20 0.00 -0.16 0.00 -1.16 0.00 0.00 60.37 59.26 1gwq h HIS 356 Cb 0.29 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.75 1gwq h HIS 356 CO -0.27 0.00 -0.52 1.98 0.86 0.00 0.00 177.93 179.97 1gwq h MET 357 N 0.00 0.57 -0.89 2.45 -1.53 0.91 0.39 114.93 116.83 1gwq h MET 357 Ca 0.00 -0.35 0.04 0.00 -3.44 0.00 0.00 59.70 55.95 1gwq h MET 357 Cb 0.69 0.03 -0.05 0.00 -0.55 0.00 0.00 31.60 31.72 1gwq h MET 357 CO 0.00 0.95 0.57 0.82 0.14 0.00 0.00 176.91 179.40 1gwq h ILE 358 N 0.44 1.14 0.00 1.77 2.04 -1.01 0.78 117.51 122.67 1gwq h ILE 358 Ca 0.01 -0.38 -0.10 0.00 1.00 0.00 0.00 64.86 65.39 1gwq h ILE 358 Cb 1.06 -0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 1gwq h ILE 358 CO 0.10 0.20 -0.49 0.78 0.00 0.00 0.00 178.15 178.74 1gwq h ASN 359 N 1.11 0.00 -0.23 1.72 2.35 -1.49 -2.94 115.58 116.10 1gwq h ASN 359 Ca 0.36 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.93 1gwq h ASN 359 Cb 0.01 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.38 1gwq h ASN 359 CO -0.12 0.49 -0.54 -0.25 -1.65 0.00 0.00 177.43 175.36 1gwq h TRP 360 N 0.00 1.03 -0.63 1.19 7.01 0.31 -3.17 115.95 121.68 1gwq h TRP 360 Ca -0.00 -0.36 0.07 0.00 2.11 0.00 0.00 58.89 60.71 1gwq h TRP 360 Cb 1.16 -0.19 -0.06 0.00 -2.10 0.00 0.00 29.16 27.96 1gwq h TRP 360 CO 0.00 1.17 0.31 0.00 -2.79 0.00 0.00 178.44 177.14 1gwq h ALA 361 N 0.75 0.84 0.00 2.65 0.00 -0.79 0.02 119.26 122.74 1gwq h ALA 361 Ca 0.02 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1gwq h ALA 361 Cb 1.13 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1gwq h ALA 361 CO 0.12 -0.06 0.00 0.87 0.00 0.00 0.00 179.25 180.18 1gwq h LYS 362 N 0.56 0.00 -0.30 0.00 1.57 -1.49 -0.86 116.57 116.05 1gwq h LYS 362 Ca 0.30 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 1gwq h LYS 362 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1gwq h LYS 362 CO -0.23 0.00 0.00 0.54 -0.57 0.00 0.00 179.45 179.19 1gwq n ARG 363 N -2.86 2.23 -2.67 3.15 1.74 -0.03 -4.65 116.66 113.58 1gwq n ARG 363 Ca -0.02 -2.05 -0.42 0.00 -0.77 0.00 0.00 57.85 54.58 1gwq n ARG 363 Cb 0.10 -1.43 -0.03 0.00 -1.02 0.00 0.00 32.46 30.09 1gwq n ARG 363 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1gwq s VAL 364 N -1.36 4.75 0.05 1.55 1.01 -0.33 -4.85 120.40 121.23 1gwq s VAL 364 Ca 0.32 2.02 -0.35 0.00 0.00 0.00 0.00 61.98 63.96 1gwq s VAL 364 Cb 0.19 -4.30 -0.14 0.00 0.00 0.00 0.00 36.38 32.14 1gwq s VAL 364 CO 0.26 0.01 1.65 -2.65 0.00 0.00 0.00 175.10 174.37 1gwq n PRO 365 N 4.96 1.97 0.00 2.72 -0.02 -1.26 -2.13 135.00 141.24 1gwq n PRO 365 Ca 0.09 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 1gwq n PRO 365 Cb 0.49 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 1gwq n PRO 365 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1gwq n GLY 366 N 3.64 3.27 0.26 -1.23 0.00 -1.26 -4.93 105.19 104.94 1gwq n GLY 366 Ca 0.19 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.20 1gwq n GLY 366 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1gwq h PHE 367 N 0.00 0.53 0.00 1.61 3.57 -1.71 -2.96 116.94 117.98 1gwq h PHE 367 Ca 0.00 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.43 1gwq h PHE 367 Cb 0.00 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 38.59 1gwq h PHE 367 CO 0.00 0.57 -0.01 1.55 -2.23 0.00 0.00 178.31 178.19 1gwq n VAL 368 N -4.24 0.62 0.23 1.41 3.14 -1.26 -2.87 118.33 115.35 1gwq n VAL 368 Ca 0.01 -0.30 0.11 0.00 -2.96 0.00 0.00 64.34 61.20 1gwq n VAL 368 Cb 0.29 -0.58 0.41 0.00 -1.06 0.00 0.00 33.84 32.89 1gwq n VAL 368 CO 0.00 0.00 0.00 0.44 -6.46 0.00 0.00 176.83 170.81 1gwq h ASP 369 N 0.00 0.00 -4.13 6.55 3.32 -1.91 -3.46 116.42 116.79 1gwq h ASP 369 Ca 0.00 0.00 -0.46 0.00 0.02 0.00 0.00 57.03 56.59 1gwq h ASP 369 Cb 0.75 0.00 0.14 0.00 0.22 0.00 0.00 39.33 40.43 1gwq h ASP 369 CO 0.00 0.17 0.27 -0.76 -1.72 0.00 0.00 179.24 177.20 1gwq s LEU 370 N -6.50 2.01 0.71 1.55 1.43 -1.14 -5.02 118.68 111.73 1gwq s LEU 370 Ca 0.02 1.13 -0.11 0.00 -1.03 0.00 0.00 54.13 54.14 1gwq s LEU 370 Cb 0.09 -3.47 0.02 0.00 0.03 0.00 0.00 46.19 42.86 1gwq s LEU 370 CO 0.63 -2.62 1.07 0.42 0.23 0.00 0.00 176.35 176.08 1gwq s THR 371 N -3.14 3.81 0.17 5.49 -4.23 -1.26 -4.84 115.64 111.63 1gwq s THR 371 Ca 0.64 0.61 -0.13 0.00 -1.18 0.00 0.00 61.69 61.63 1gwq s THR 371 Cb -0.16 -3.26 0.06 0.00 1.34 0.00 0.00 72.50 70.48 1gwq s THR 371 CO 0.55 -0.75 1.76 0.25 -0.54 0.00 0.00 174.62 175.89 1gwq h LEU 372 N -0.74 0.72 -0.68 4.79 5.85 -1.95 -0.66 115.31 122.65 1gwq h LEU 372 Ca -0.44 -0.12 0.06 0.00 0.84 0.00 0.00 57.88 58.22 1gwq h LEU 372 Cb 1.22 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 42.01 1gwq h LEU 372 CO 0.55 0.64 0.38 0.45 -0.34 0.00 0.00 178.44 180.12 1gwq h HIS 373 N 0.75 0.70 -0.18 1.25 3.86 -1.99 0.48 115.15 120.02 1gwq h HIS 373 Ca 0.19 0.03 -0.15 0.00 -1.16 0.00 0.00 60.37 59.28 1gwq h HIS 373 Cb 0.10 -0.21 -0.01 0.00 1.06 0.00 0.00 27.41 28.35 1gwq h HIS 373 CO -0.01 0.33 -0.52 -0.44 0.86 0.00 0.00 177.93 178.16 1gwq h ASP 374 N 0.70 0.57 -0.77 2.45 3.32 -1.83 0.69 116.42 121.54 1gwq h ASP 374 Ca 0.30 -0.29 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 1gwq h ASP 374 Cb 0.19 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.54 1gwq h ASP 374 CO -0.18 0.99 0.48 1.56 -1.72 0.00 0.00 179.24 180.36 1gwq h GLN 375 N 0.41 1.05 -0.30 3.56 4.20 0.15 0.13 115.11 124.30 1gwq h GLN 375 Ca 0.01 -0.09 -0.14 0.00 0.06 0.00 0.00 58.65 58.50 1gwq h GLN 375 Cb 1.05 -0.23 -0.00 0.00 0.30 0.00 0.00 27.48 28.60 1gwq h GLN 375 CO 0.10 0.73 -0.36 0.28 -0.67 0.00 0.00 178.83 178.91 1gwq h VAL 376 N 1.07 1.29 -0.13 -0.54 2.07 0.44 -2.69 116.25 117.76 1gwq h VAL 376 Ca 0.28 -1.54 0.01 0.00 0.82 0.00 0.00 66.70 66.27 1gwq h VAL 376 Cb -0.06 1.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 1gwq h VAL 376 CO -0.05 0.50 0.07 -0.74 0.02 0.00 0.00 177.57 177.36 1gwq h HIS 377 N 0.54 0.13 -0.47 1.57 -0.00 0.81 -1.82 115.15 115.92 1gwq h HIS 377 Ca 0.04 0.01 0.04 0.00 -0.00 0.00 0.00 60.37 60.45 1gwq h HIS 377 Cb 0.94 -0.04 -0.04 0.00 -0.00 0.00 0.00 27.41 28.27 1gwq h HIS 377 CO 0.07 0.08 0.25 -0.07 -0.00 0.00 0.00 177.93 178.26 1gwq h LEU 378 N 0.15 0.37 -0.46 0.26 3.38 -0.79 -0.98 115.31 117.24 1gwq h LEU 378 Ca 0.05 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1gwq h LEU 378 Cb 0.00 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1gwq h LEU 378 CO -0.03 0.26 0.25 -0.07 0.09 0.00 0.00 178.44 178.93 1gwq h LEU 379 N 0.49 0.58 -0.70 1.67 3.38 -1.35 -0.26 115.31 119.11 1gwq h LEU 379 Ca 0.20 -0.10 0.05 0.00 0.09 0.00 0.00 57.88 58.12 1gwq h LEU 379 Cb 0.09 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.65 1gwq h LEU 379 CO -0.13 0.51 0.42 -0.33 0.09 0.00 0.00 178.44 178.99 1gwq h GLU 380 N 0.60 0.76 -0.18 1.13 5.08 -0.97 0.15 114.58 121.15 1gwq h GLU 380 Ca 0.16 -0.05 -0.19 0.00 -1.00 0.00 0.00 59.36 58.28 1gwq h GLU 380 Cb 0.06 -0.17 0.01 0.00 0.50 0.00 0.00 28.75 29.15 1gwq h GLU 380 CO -0.02 0.51 -0.64 0.00 -1.00 0.00 0.00 179.01 177.85 1gwq n ALA 382 N -2.58 3.89 -0.24 0.00 0.00 -0.14 -4.64 120.51 116.80 1gwq n ALA 382 Ca -0.07 -0.52 0.03 0.00 0.00 0.00 0.00 53.44 52.89 1gwq n ALA 382 Cb 0.67 -0.92 0.13 0.00 0.00 0.00 0.00 19.45 19.33 1gwq n ALA 382 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.50 177.61 1gwq h TRP 383 N 0.82 -0.12 -0.06 0.00 5.08 -0.87 -1.73 115.95 119.07 1gwq h TRP 383 Ca 0.00 0.06 -0.12 0.00 1.08 0.00 0.00 58.89 59.91 1gwq h TRP 383 Cb 0.57 0.17 -0.01 0.00 -3.00 0.00 0.00 29.16 26.88 1gwq h TRP 383 CO 0.00 -0.24 -0.51 1.25 -1.28 0.00 0.00 178.44 177.66 1gwq h LEU 384 N 0.08 0.16 -0.90 0.11 5.85 -1.86 -2.07 115.31 116.68 1gwq h LEU 384 Ca 0.38 -0.08 -0.10 0.00 0.84 0.00 0.00 57.88 58.92 1gwq h LEU 384 Cb 0.64 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 1gwq h LEU 384 CO -0.65 0.65 -0.22 -0.33 -0.34 0.00 0.00 178.44 177.54 1gwq h GLU 385 N 0.12 0.56 -0.18 1.25 5.08 -1.65 -0.72 114.58 119.05 1gwq h GLU 385 Ca 0.00 -0.21 -0.05 0.00 -1.00 0.00 0.00 59.36 58.10 1gwq h GLU 385 Cb 0.94 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.15 1gwq h GLU 385 CO 0.07 0.75 -0.10 0.82 -1.00 0.00 0.00 179.01 179.55 1gwq h ILE 386 N 0.50 1.31 -0.67 3.13 1.08 -0.96 0.30 117.51 122.20 1gwq h ILE 386 Ca 0.08 -1.16 -0.07 0.00 -0.39 0.00 0.00 64.86 63.32 1gwq h ILE 386 Cb 0.66 1.71 -0.03 0.00 -3.07 0.00 0.00 36.82 36.08 1gwq h ILE 386 CO 0.05 0.35 0.16 -0.07 -0.69 0.00 0.00 178.15 177.94 1gwq h LEU 387 N 0.05 1.03 -0.58 1.44 3.38 -1.28 -2.49 115.31 116.86 1gwq h LEU 387 Ca 0.04 -0.24 -0.08 0.00 0.09 0.00 0.00 57.88 57.69 1gwq h LEU 387 Cb 0.58 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 1gwq h LEU 387 CO 0.03 1.00 0.05 0.24 0.09 0.00 0.00 178.44 179.84 1gwq h MET 388 N 1.01 1.00 0.00 1.13 2.86 -0.99 -1.55 114.93 118.39 1gwq h MET 388 Ca 0.21 -0.30 -0.07 0.00 -2.06 0.00 0.00 59.70 57.48 1gwq h MET 388 Cb 0.37 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.92 1gwq h MET 388 CO 0.00 0.97 -0.35 0.97 1.06 0.00 0.00 176.91 179.56 1gwq h ILE 389 N 0.89 1.06 -0.33 -1.22 2.10 -0.15 -0.92 117.51 118.94 1gwq h ILE 389 Ca 0.17 -1.30 -0.15 0.00 1.08 0.00 0.00 64.86 64.66 1gwq h ILE 389 Cb 0.49 1.74 -0.00 0.00 -1.09 0.00 0.00 36.82 37.95 1gwq h ILE 389 CO 0.02 0.35 -0.40 1.23 -1.08 0.00 0.00 178.15 178.27 1gwq h GLY 390 N 1.39 0.93 0.83 8.18 0.00 -1.15 -1.90 103.07 111.37 1gwq h GLY 390 Ca -0.00 -0.99 -0.01 0.00 0.00 0.00 0.00 47.33 46.33 1gwq h GLY 390 CO 0.05 0.89 -0.25 -2.00 0.00 0.00 0.00 176.54 175.23 1gwq h LEU 391 N 0.64 -0.64 -1.05 3.11 5.85 -0.90 -0.73 115.31 121.59 1gwq h LEU 391 Ca 0.04 0.05 0.08 0.00 0.84 0.00 0.00 57.88 58.89 1gwq h LEU 391 Cb 0.99 0.20 -0.07 0.00 0.37 0.00 0.00 40.66 42.15 1gwq h LEU 391 CO 0.10 -0.39 0.63 0.58 -0.34 0.00 0.00 178.44 179.02 1gwq h VAL 392 N -0.59 1.03 -0.10 1.05 2.07 -1.12 -1.34 116.25 117.24 1gwq h VAL 392 Ca -0.03 -0.37 0.03 0.00 0.82 0.00 0.00 66.70 67.15 1gwq h VAL 392 Cb 0.51 -0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 30.11 1gwq h VAL 392 CO 0.01 0.20 -0.06 -0.25 0.02 0.00 0.00 177.57 177.49 1gwq h TRP 393 N 1.08 -0.14 -0.23 1.57 2.91 -0.79 -2.43 115.95 117.90 1gwq h TRP 393 Ca 0.44 0.01 -0.05 0.00 1.13 0.00 0.00 58.89 60.43 1gwq h TRP 393 Cb 0.29 0.08 -0.01 0.00 -0.51 0.00 0.00 29.16 29.00 1gwq h TRP 393 CO -0.00 -0.10 -0.06 0.00 -1.03 0.00 0.00 178.44 177.25 1gwq h ARG 394 N -0.06 0.36 -0.01 2.65 3.08 -0.58 -2.54 114.38 117.28 1gwq h ARG 394 Ca 0.06 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1gwq h ARG 394 Cb 0.15 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.15 1gwq h ARG 394 CO -0.14 0.43 -0.18 0.43 -1.07 0.00 0.00 179.97 179.45 1gwq n SER 395 N -4.29 0.88 -0.34 7.04 7.64 -0.56 -4.51 113.62 119.49 1gwq n SER 395 Ca 0.00 -0.86 0.14 0.00 1.01 0.00 0.00 58.87 59.16 1gwq n SER 395 Cb 0.24 0.05 0.35 0.00 -1.01 0.00 0.00 64.21 63.84 1gwq n SER 395 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 1gwq h MET 396 N 1.11 0.70 -0.70 1.43 2.86 -0.99 0.02 114.93 119.36 1gwq h MET 396 Ca 0.00 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1gwq h MET 396 Cb 0.45 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.95 1gwq h MET 396 CO 0.00 0.47 0.00 -0.85 1.06 0.00 0.00 176.91 177.59 1gwq n GLU 397 N -4.70 3.56 -3.34 1.72 0.28 -1.26 -4.49 120.64 112.41 1gwq n GLU 397 Ca 0.22 -2.12 -0.26 0.00 -0.16 0.00 0.00 57.16 54.85 1gwq n GLU 397 Cb 0.58 -1.98 -0.08 0.00 1.43 0.00 0.00 31.44 31.38 1gwq n GLU 397 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 1gwq n HIS 398 N 0.46 1.13 -1.62 -1.84 8.25 -0.01 -5.10 115.22 116.49 1gwq n HIS 398 Ca 0.19 -3.78 -0.51 0.00 -0.26 0.00 0.00 57.72 53.36 1gwq n HIS 398 Cb 0.87 -0.37 -0.06 0.00 1.12 0.00 0.00 29.99 31.55 1gwq n HIS 398 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 1gwq n PRO 399 N 1.43 1.42 -0.02 -0.41 -0.02 -1.26 -0.54 135.00 135.59 1gwq n PRO 399 Ca 0.25 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 1gwq n PRO 399 Cb 0.47 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 1gwq n PRO 399 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1gwq n GLY 400 N 2.87 2.63 3.47 -1.23 0.00 -1.26 -5.01 105.19 106.66 1gwq n GLY 400 Ca 0.19 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.97 1gwq n GLY 400 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gwq s LYS 401 N -0.11 1.64 -0.22 1.61 1.02 0.30 -2.40 119.74 121.58 1gwq s LYS 401 Ca 0.00 -1.80 0.01 0.00 0.02 0.00 0.00 55.97 54.20 1gwq s LYS 401 Cb 0.00 -1.49 0.05 0.00 -0.52 0.00 0.00 37.83 35.87 1gwq s LYS 401 CO 0.00 0.17 -0.10 -0.51 -0.92 0.00 0.00 175.35 173.99 1gwq s LEU 402 N -3.50 2.67 -1.10 3.17 1.43 -0.68 -4.80 118.68 115.88 1gwq s LEU 402 Ca 0.30 -1.09 -0.19 0.00 -1.03 0.00 0.00 54.13 52.12 1gwq s LEU 402 Cb 0.00 -1.32 0.10 0.00 0.03 0.00 0.00 46.19 45.00 1gwq s LEU 402 CO 0.13 -0.17 1.42 -0.22 0.23 0.00 0.00 176.35 177.75 1gwq s LEU 403 N 1.31 4.35 0.36 1.79 2.96 -1.26 -1.63 118.68 126.55 1gwq s LEU 403 Ca -0.04 -2.19 0.07 0.00 -0.22 0.00 0.00 54.13 51.75 1gwq s LEU 403 Cb -0.18 -2.49 0.70 0.00 0.50 0.00 0.00 46.19 44.72 1gwq s LEU 403 CO -0.07 -1.14 1.89 -0.26 -1.32 0.00 0.00 176.35 175.45 1gwq h PHE 404 N 8.44 0.38 -2.98 5.38 0.04 -1.72 -3.43 116.94 123.04 1gwq h PHE 404 Ca 0.27 -0.04 -0.00 0.00 2.80 0.00 0.00 57.97 61.00 1gwq h PHE 404 Cb 0.95 -0.11 -0.11 0.00 2.20 0.00 0.00 35.95 38.89 1gwq h PHE 404 CO 1.24 0.45 0.22 0.00 -0.60 0.00 0.00 178.31 179.62 1gwq s ALA 405 N -4.81 -1.54 0.37 2.45 0.00 -1.21 -4.98 121.76 112.04 1gwq s ALA 405 Ca -0.06 0.36 0.14 0.00 0.00 0.00 0.00 51.96 52.40 1gwq s ALA 405 Cb 0.15 0.87 0.99 0.00 0.00 0.00 0.00 23.12 25.13 1gwq s ALA 405 CO 0.75 -0.82 1.79 -1.35 0.00 0.00 0.00 175.76 176.13 1gwq h PRO 406 N 2.00 0.50 -0.56 0.00 0.11 -1.88 0.12 132.00 132.28 1gwq h PRO 406 Ca -0.31 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.75 1gwq h PRO 406 Cb 1.30 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1gwq h PRO 406 CO 0.35 0.33 0.03 0.27 -0.21 0.00 0.00 178.00 178.77 1gwq n ASN 407 N -4.66 5.49 -3.09 -2.05 6.94 -1.26 -4.68 115.26 111.95 1gwq n ASN 407 Ca 0.24 -2.98 -0.18 0.00 -0.02 0.00 0.00 54.58 51.64 1gwq n ASN 407 Cb 0.75 -0.68 -0.04 0.00 -2.36 0.00 0.00 39.78 37.44 1gwq n ASN 407 CO 0.00 0.00 0.00 -0.11 -1.03 0.00 0.00 177.26 176.12 1gwq n LEU 408 N 0.43 -1.51 -4.48 -4.53 7.94 0.41 -4.84 117.00 110.42 1gwq n LEU 408 Ca 0.29 -3.89 -0.42 0.00 -1.11 0.00 0.00 56.01 50.87 1gwq n LEU 408 Cb 1.20 0.67 -0.10 0.00 0.53 0.00 0.00 43.42 45.71 1gwq n LEU 408 CO 0.32 1.94 -0.09 -0.22 -1.11 0.00 0.00 177.39 178.24 1gwq s LEU 409 N -0.07 4.93 -0.07 -1.96 2.96 -1.26 -1.82 118.68 121.39 1gwq s LEU 409 Ca 0.32 -0.76 -0.09 0.00 -0.22 0.00 0.00 54.13 53.39 1gwq s LEU 409 Cb 0.08 -2.15 -0.05 0.00 0.50 0.00 0.00 46.19 44.57 1gwq s LEU 409 CO -0.15 -0.38 0.23 -0.76 -1.32 0.00 0.00 176.35 173.97 1gwq s LEU 410 N 1.69 4.41 0.43 -0.68 1.43 -0.65 -4.92 118.68 120.39 1gwq s LEU 410 Ca 0.05 0.62 -0.17 0.00 -1.03 0.00 0.00 54.13 53.61 1gwq s LEU 410 Cb -0.19 -2.29 -0.09 0.00 0.03 0.00 0.00 46.19 43.65 1gwq s LEU 410 CO 0.10 0.37 0.89 -1.81 0.23 0.00 0.00 176.35 176.12 1gwq s ASP 411 N -1.13 6.73 0.18 2.29 1.11 -1.26 -1.69 116.67 122.90 1gwq s ASP 411 Ca 0.19 1.47 -0.19 0.00 0.18 0.00 0.00 52.55 54.20 1gwq s ASP 411 Cb -0.14 -2.46 0.12 0.00 1.07 0.00 0.00 42.92 41.51 1gwq s ASP 411 CO 0.08 -0.41 1.62 -0.09 1.18 0.00 0.00 175.17 177.56 1gwq h ARG 412 N 1.56 -0.12 -0.43 8.23 1.12 -1.87 0.12 114.38 122.98 1gwq h ARG 412 Ca -0.48 0.01 0.12 0.00 -1.11 0.00 0.00 59.98 58.53 1gwq h ARG 412 Cb 1.18 0.03 -0.02 0.00 -0.01 0.00 0.00 29.97 31.15 1gwq h ARG 412 CO 0.63 -0.08 0.35 -0.91 -3.11 0.00 0.00 179.97 176.84 1gwq h ASN 413 N -0.13 0.00 0.42 -3.80 2.35 -1.93 -0.37 115.58 112.12 1gwq h ASN 413 Ca 0.21 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.96 1gwq h ASN 413 Cb 0.46 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.83 1gwq h ASN 413 CO -0.53 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.25 1gwq n GLN 414 N -4.15 0.16 0.11 0.81 6.02 0.41 -0.93 117.38 119.81 1gwq n GLN 414 Ca 0.07 0.50 -0.03 0.00 -0.01 0.00 0.00 57.00 57.53 1gwq n GLN 414 Cb 0.54 -1.87 0.16 0.00 1.02 0.00 0.00 30.24 30.09 1gwq n GLN 414 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 1gwq h GLY 415 N 1.34 0.12 2.00 1.08 0.00 -1.11 -3.00 103.07 103.50 1gwq h GLY 415 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.18 1gwq h GLY 415 CO 0.00 0.14 0.00 0.50 0.00 0.00 0.00 176.54 177.18 1gwq h LYS 416 N 0.08 0.00 0.00 4.80 1.57 -1.17 -2.31 116.57 119.54 1gwq h LYS 416 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1gwq h LYS 416 Cb 1.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.38 1gwq h LYS 416 CO 0.08 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.96 1gwq s VAL 418 N -3.06 1.86 -0.03 0.00 1.01 -0.87 -3.59 120.40 115.72 1gwq s VAL 418 Ca 0.06 -0.90 -0.29 0.00 0.00 0.00 0.00 61.98 60.84 1gwq s VAL 418 Cb 0.08 -1.62 -0.08 0.00 0.00 0.00 0.00 36.38 34.76 1gwq s VAL 418 CO 0.25 0.52 2.04 -0.70 0.00 0.00 0.00 175.10 177.21 1gwq s GLU 419 N 0.41 3.85 0.00 2.72 2.56 -1.26 -2.25 118.70 124.73 1gwq s GLU 419 Ca -0.18 2.46 0.00 0.00 0.00 0.00 0.00 54.97 57.24 1gwq s GLU 419 Cb -0.18 -4.23 0.00 0.00 2.00 0.00 0.00 34.13 31.73 1gwq s GLU 419 CO 0.08 -1.28 0.00 0.41 -0.56 0.00 0.00 175.26 173.91 1gwq n GLY 420 N 4.89 2.71 0.28 -1.50 0.00 -1.26 -4.94 105.19 105.38 1gwq n GLY 420 Ca 0.23 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.23 1gwq n GLY 420 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1gwq h MET 421 N 2.15 0.67 -0.67 1.61 4.05 -1.64 -3.24 114.93 117.85 1gwq h MET 421 Ca 0.00 -0.14 0.13 0.00 -0.28 0.00 0.00 59.70 59.41 1gwq h MET 421 Cb 0.00 -0.10 -0.10 0.00 -0.80 0.00 0.00 31.60 30.61 1gwq h MET 421 CO 0.00 0.65 0.17 0.28 0.23 0.00 0.00 176.91 178.24 1gwq h VAL 422 N 0.64 0.60 -0.70 -5.77 2.07 -1.76 0.81 116.25 112.13 1gwq h VAL 422 Ca 0.14 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.56 1gwq h VAL 422 Cb 0.33 0.28 -0.03 0.00 -1.52 0.00 0.00 31.29 30.35 1gwq h VAL 422 CO 0.01 0.05 0.46 -0.33 0.02 0.00 0.00 177.57 177.77 1gwq h GLU 423 N 0.29 0.93 0.26 1.57 3.07 -1.94 -0.11 114.58 118.65 1gwq h GLU 423 Ca 0.36 -0.06 -0.01 0.00 -0.50 0.00 0.00 59.36 59.15 1gwq h GLU 423 Cb 0.57 -0.21 0.00 0.00 -0.84 0.00 0.00 28.75 28.28 1gwq h GLU 423 CO -0.44 0.63 -0.12 0.82 -1.40 0.00 0.00 179.01 178.49 1gwq h ILE 424 N 0.96 0.76 -0.83 3.13 1.08 -1.31 -2.71 117.51 118.58 1gwq h ILE 424 Ca 0.26 -0.08 0.14 0.00 -0.39 0.00 0.00 64.86 64.78 1gwq h ILE 424 Cb -0.09 0.81 -0.09 0.00 -3.07 0.00 0.00 36.82 34.38 1gwq h ILE 424 CO -0.05 0.02 0.43 -0.26 -0.69 0.00 0.00 178.15 177.60 1gwq h PHE 425 N -0.39 0.76 -0.67 1.37 -1.00 -0.50 0.33 116.94 116.85 1gwq h PHE 425 Ca -0.04 0.03 -0.05 0.00 2.81 0.00 0.00 57.97 60.73 1gwq h PHE 425 Cb 0.30 -0.21 -0.03 0.00 3.61 0.00 0.00 35.95 39.61 1gwq h PHE 425 CO -0.05 0.21 0.23 -0.44 -1.61 0.00 0.00 178.31 176.64 1gwq h ASP 426 N 0.64 0.97 -0.16 2.17 3.32 -0.78 0.50 116.42 123.09 1gwq h ASP 426 Ca 0.44 -0.20 -0.03 0.00 0.02 0.00 0.00 57.03 57.27 1gwq h ASP 426 Cb 0.59 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 1gwq h ASP 426 CO -0.34 0.91 -0.01 0.24 -1.72 0.00 0.00 179.24 178.32 1gwq h MET 427 N 0.97 0.28 -0.74 3.56 2.86 -1.09 0.11 114.93 120.89 1gwq h MET 427 Ca 0.22 -0.09 0.10 0.00 -2.06 0.00 0.00 59.70 57.86 1gwq h MET 427 Cb 0.28 -0.02 -0.07 0.00 0.06 0.00 0.00 31.60 31.84 1gwq h MET 427 CO -0.01 0.51 0.38 -0.07 1.06 0.00 0.00 176.91 178.78 1gwq h LEU 428 N 0.02 0.50 -0.75 1.22 3.38 -0.47 0.14 115.31 119.35 1gwq h LEU 428 Ca 0.04 0.06 -0.09 0.00 0.09 0.00 0.00 57.88 57.98 1gwq h LEU 428 Cb 0.39 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1gwq h LEU 428 CO 0.01 0.28 -0.05 -0.07 0.09 0.00 0.00 178.44 178.70 1gwq h LEU 429 N 0.63 0.88 -0.59 1.67 3.38 0.31 -0.92 115.31 120.67 1gwq h LEU 429 Ca 0.37 -0.25 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 1gwq h LEU 429 Cb 0.39 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1gwq h LEU 429 CO -0.27 0.97 0.15 0.00 0.09 0.00 0.00 178.44 179.38 1gwq h ALA 430 N 1.12 0.78 -0.28 1.53 0.00 0.64 0.12 119.26 123.17 1gwq h ALA 430 Ca 0.15 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.84 1gwq h ALA 430 Cb 0.55 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1gwq h ALA 430 CO 0.03 0.47 0.18 1.15 0.00 0.00 0.00 179.25 181.08 1gwq h THR 431 N 0.85 1.06 -0.94 0.00 2.02 -0.55 -0.91 112.91 114.43 1gwq h THR 431 Ca 0.19 -0.12 0.14 0.00 0.77 0.00 0.00 66.41 67.38 1gwq h THR 431 Cb 0.34 0.66 -0.08 0.00 -1.74 0.00 0.00 68.15 67.33 1gwq h THR 431 CO 0.00 0.07 0.60 -1.28 0.37 0.00 0.00 175.52 175.27 1gwq h SER 432 N 0.36 0.75 0.33 4.18 0.87 -0.54 -0.55 113.55 118.95 1gwq h SER 432 Ca 0.11 0.05 -0.21 0.00 -1.23 0.00 0.00 61.79 60.50 1gwq h SER 432 Cb -0.03 -0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 61.83 1gwq h SER 432 CO -0.03 0.37 -0.87 0.28 -0.53 0.00 0.00 176.83 176.05 1gwq h SER 433 N 0.79 0.49 -0.87 6.23 0.02 0.13 -2.78 113.55 117.57 1gwq h SER 433 Ca 0.48 -0.37 -0.01 0.00 -0.84 0.00 0.00 61.79 61.04 1gwq h SER 433 Cb 0.67 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 63.02 1gwq h SER 433 CO -0.24 1.16 0.49 -0.09 -1.14 0.00 0.00 176.83 177.01 1gwq h ARG 434 N 0.24 1.20 0.00 3.45 9.65 -0.18 0.23 114.38 128.96 1gwq h ARG 434 Ca -0.06 -0.13 -0.06 0.00 -1.10 0.00 0.00 59.98 58.63 1gwq h ARG 434 Cb 1.49 -0.24 -0.01 0.00 -1.39 0.00 0.00 29.97 29.82 1gwq h ARG 434 CO 0.15 0.87 -0.30 0.74 2.80 0.00 0.00 179.97 184.22 1gwq h PHE 435 N 1.21 0.00 -0.16 2.20 0.04 -1.05 -1.58 116.94 117.61 1gwq h PHE 435 Ca 0.31 0.00 -0.18 0.00 2.80 0.00 0.00 57.97 60.90 1gwq h PHE 435 Cb -0.00 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.16 1gwq h PHE 435 CO 0.01 0.30 -0.61 -0.09 -0.60 0.00 0.00 178.31 177.32 1gwq h ARG 436 N 0.00 0.69 -0.99 1.51 2.43 -0.86 -2.08 114.38 115.08 1gwq h ARG 436 Ca -0.00 -0.54 0.03 0.00 -0.81 0.00 0.00 59.98 58.66 1gwq h ARG 436 Cb 0.58 0.10 -0.06 0.00 -0.42 0.00 0.00 29.97 30.18 1gwq h ARG 436 CO 0.04 1.15 0.65 0.52 -1.51 0.00 0.00 179.97 180.83 1gwq h MET 437 N 0.38 1.24 -0.00 0.20 0.00 -0.05 -1.22 114.93 115.48 1gwq h MET 437 Ca -0.03 -0.07 0.00 0.00 0.00 0.00 0.00 59.70 59.59 1gwq h MET 437 Cb 1.24 -0.28 0.00 0.00 0.00 0.00 0.00 31.60 32.56 1gwq h MET 437 CO 0.13 0.82 -0.09 -1.33 0.00 0.00 0.00 176.91 176.44 1gwq n MET 438 N -4.43 0.32 -3.36 1.72 2.81 -0.65 -4.92 117.12 108.62 1gwq n MET 438 Ca 0.13 -0.07 -0.16 0.00 -1.81 0.00 0.00 57.70 55.79 1gwq n MET 438 Cb 0.08 -1.50 0.08 0.00 -0.71 0.00 0.00 33.22 31.17 1gwq n MET 438 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1gwq n ASN 439 N -1.28 -4.25 -4.70 7.83 4.05 -0.46 -4.87 115.26 111.58 1gwq n ASN 439 Ca 0.11 -0.67 -0.42 0.00 0.45 0.00 0.00 54.58 54.05 1gwq n ASN 439 Cb 0.29 -5.11 -0.03 0.00 1.23 0.00 0.00 39.78 36.16 1gwq n ASN 439 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 177.26 174.10 1gwq n LEU 440 N -3.71 4.07 -4.89 1.20 7.94 -0.85 -5.00 117.00 115.75 1gwq n LEU 440 Ca -0.18 1.00 -0.30 0.00 -1.11 0.00 0.00 56.01 55.42 1gwq n LEU 440 Cb 0.65 -1.56 -0.04 0.00 0.53 0.00 0.00 43.42 43.00 1gwq n LEU 440 CO 0.60 0.19 0.21 -1.10 -1.11 0.00 0.00 177.39 176.18 1gwq s GLN 441 N 2.39 3.71 0.32 1.96 -1.52 -1.26 -4.91 119.66 120.34 1gwq s GLN 441 Ca 0.80 0.13 0.01 0.00 -1.95 0.00 0.00 55.36 54.35 1gwq s GLN 441 Cb -0.48 -2.65 0.55 0.00 -0.22 0.00 0.00 33.01 30.21 1gwq s GLN 441 CO 0.36 0.26 1.96 0.78 -0.25 0.00 0.00 175.29 178.41 1gwq h GLY 442 N 2.09 1.11 1.91 3.09 0.00 -1.98 0.89 103.07 110.19 1gwq h GLY 442 Ca -0.47 -0.39 -0.08 0.00 0.00 0.00 0.00 47.33 46.39 1gwq h GLY 442 CO 0.68 0.35 -0.34 0.83 0.00 0.00 0.00 176.54 178.06 1gwq h GLU 443 N 0.99 0.10 0.21 4.80 3.07 -1.99 -0.72 114.58 121.05 1gwq h GLU 443 Ca 0.31 -0.04 -0.31 0.00 -0.50 0.00 0.00 59.36 58.81 1gwq h GLU 443 Cb 0.00 -0.01 0.04 0.00 -0.84 0.00 0.00 28.75 27.94 1gwq h GLU 443 CO -0.08 0.43 -1.36 0.93 -1.40 0.00 0.00 179.01 177.53 1gwq h GLU 444 N 0.09 0.54 -0.59 2.33 5.08 -0.86 -3.03 114.58 118.14 1gwq h GLU 444 Ca 0.01 -0.87 0.08 0.00 -1.00 0.00 0.00 59.36 57.58 1gwq h GLU 444 Cb 0.64 0.32 -0.07 0.00 0.50 0.00 0.00 28.75 30.14 1gwq h GLU 444 CO 0.05 1.41 0.23 0.35 -1.00 0.00 0.00 179.01 180.05 1gwq h PHE 445 N 0.13 0.41 -0.34 4.33 3.57 0.97 -0.88 116.94 125.12 1gwq h PHE 445 Ca -0.23 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.19 1gwq h PHE 445 Cb 2.06 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 40.69 1gwq h PHE 445 CO 0.13 0.13 -0.25 0.28 -2.23 0.00 0.00 178.31 176.38 1gwq h VAL 446 N 0.43 1.27 -0.63 1.41 2.07 -1.21 0.19 116.25 119.77 1gwq h VAL 446 Ca 0.29 -1.34 -0.07 0.00 0.82 0.00 0.00 66.70 66.40 1gwq h VAL 446 Cb 0.32 1.28 -0.03 0.00 -1.52 0.00 0.00 31.29 31.35 1gwq h VAL 446 CO -0.27 0.44 0.13 0.00 0.02 0.00 0.00 177.57 177.88 1gwq h LEU 448 N 0.95 0.97 -1.44 0.00 3.38 -0.33 -0.92 115.31 117.90 1gwq h LEU 448 Ca 0.19 -0.41 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 1gwq h LEU 448 Cb 0.40 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1gwq h LEU 448 CO 0.01 1.16 0.22 0.50 0.09 0.00 0.00 178.44 180.43 1gwq h LYS 449 N 0.77 0.60 0.00 1.13 3.64 -0.51 -1.08 116.57 121.12 1gwq h LYS 449 Ca 0.10 -0.06 -0.13 0.00 -1.27 0.00 0.00 60.65 59.29 1gwq h LYS 449 Cb 0.81 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.49 1gwq h LYS 449 CO 0.07 0.46 -0.61 0.77 -2.27 0.00 0.00 179.45 177.87 1gwq h SER 450 N 0.61 0.00 -0.15 4.20 0.02 -1.28 -2.64 113.55 114.31 1gwq h SER 450 Ca 0.16 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.97 1gwq h SER 450 Cb 0.04 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 1gwq h SER 450 CO -0.02 0.61 -0.39 0.40 -1.14 0.00 0.00 176.83 176.29 1gwq h ILE 451 N 0.00 1.29 -0.13 3.27 2.04 -0.58 -2.19 117.51 121.21 1gwq h ILE 451 Ca -0.01 -1.55 -0.01 0.00 1.00 0.00 0.00 64.86 64.30 1gwq h ILE 451 Cb 1.45 1.48 -0.01 0.00 -0.74 0.00 0.00 36.82 39.00 1gwq h ILE 451 CO 0.08 0.50 0.06 0.40 0.00 0.00 0.00 178.15 179.19 1gwq h ILE 452 N 0.56 1.13 -0.99 -0.67 2.04 -0.97 0.84 117.51 119.45 1gwq h ILE 452 Ca 0.05 -0.37 0.05 0.00 1.00 0.00 0.00 64.86 65.59 1gwq h ILE 452 Cb 0.91 1.13 -0.06 0.00 -0.74 0.00 0.00 36.82 38.06 1gwq h ILE 452 CO 0.08 0.12 0.64 0.25 0.00 0.00 0.00 178.15 179.24 1gwq h LEU 453 N 0.08 1.04 0.02 1.44 5.85 -1.38 -2.55 115.31 119.81 1gwq h LEU 453 Ca 0.05 0.00 -0.27 0.00 0.84 0.00 0.00 57.88 58.50 1gwq h LEU 453 Cb 0.13 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 40.90 1gwq h LEU 453 CO -0.01 0.69 -1.44 -0.07 -0.34 0.00 0.00 178.44 177.27 1gwq h LEU 454 N 1.19 0.05 0.13 2.25 3.38 -1.22 -3.42 115.31 117.67 1gwq h LEU 454 Ca 0.41 -0.08 -0.34 0.00 0.09 0.00 0.00 57.88 57.96 1gwq h LEU 454 Cb 0.10 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1gwq h LEU 454 CO -0.15 1.07 -1.79 -1.13 0.09 0.00 0.00 178.44 176.53 1gwq h ASN 455 N 0.01 0.44 -0.35 -0.43 -1.24 -0.71 -3.36 115.58 109.93 1gwq h ASN 455 Ca -0.18 -0.77 0.03 0.00 0.71 0.00 0.00 56.30 56.08 1gwq h ASN 455 Cb 1.93 -0.14 -0.02 0.00 0.73 0.00 0.00 38.32 40.81 1gwq h ASN 455 CO 0.11 1.67 0.24 0.28 -1.29 0.00 0.00 177.43 178.43 1gwq h SER 456 N 0.08 0.32 -0.01 1.15 0.02 -1.68 -3.12 113.55 110.31 1gwq h SER 456 Ca -0.35 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.60 1gwq h SER 456 Cb 2.05 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 64.52 1gwq h SER 456 CO 0.13 0.22 -0.15 0.61 -1.14 0.00 0.00 176.83 176.51 1gwq n GLY 457 N -1.50 -0.01 0.30 -3.77 0.00 -1.26 -4.60 105.19 94.35 1gwq n GLY 457 Ca 0.03 -0.42 0.15 0.00 0.00 0.00 0.00 46.02 45.78 1gwq n GLY 457 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1gwq h VAL 458 N 2.23 0.55 -0.55 1.61 3.04 -1.69 -1.94 116.25 119.50 1gwq h VAL 458 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1gwq h VAL 458 Cb 0.55 0.97 0.00 0.00 -2.01 0.00 0.00 31.29 30.80 1gwq h VAL 458 CO 0.00 0.00 0.00 -1.22 -1.01 0.00 0.00 177.57 175.34 1gwq n TYR 459 N -3.90 0.88 -1.59 3.17 4.01 -1.26 -4.35 117.16 114.13 1gwq n TYR 459 Ca -0.02 -0.54 0.06 0.00 -0.16 0.00 0.00 57.90 57.24 1gwq n TYR 459 Cb 0.13 -0.07 0.15 0.00 -0.31 0.00 0.00 39.34 39.24 1gwq n TYR 459 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1gwq n THR 460 N 1.01 1.69 -1.75 -0.72 -2.24 -0.73 -5.04 114.28 106.50 1gwq n THR 460 Ca 0.20 -2.46 -0.40 0.00 -2.27 0.00 0.00 64.05 59.12 1gwq n THR 460 Cb 0.62 -0.03 0.02 0.00 -2.10 0.00 0.00 70.33 68.83 1gwq n THR 460 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1gwq n PHE 461 N -0.93 2.59 1.05 4.78 3.72 -1.22 -4.84 117.46 122.60 1gwq n PHE 461 Ca 0.15 0.45 0.00 0.00 -0.05 0.00 0.00 57.45 58.00 1gwq n PHE 461 Cb 0.73 -2.44 0.00 0.00 -0.94 0.00 0.00 39.48 36.83 1gwq n PHE 461 CO 0.00 0.00 0.00 1.47 -0.05 0.00 0.00 176.76 178.18 1gwq n LEU 462 N -0.21 0.33 -4.13 4.37 -0.00 -1.26 -4.87 117.00 111.22 1gwq n LEU 462 Ca 0.06 -0.16 -0.11 0.00 -0.00 0.00 0.00 56.01 55.80 1gwq n LEU 462 Cb 0.41 -0.16 -0.09 0.00 -0.00 0.00 0.00 43.42 43.58 1gwq n LEU 462 CO 0.59 0.08 -0.20 -0.55 -0.00 0.00 0.00 177.39 177.31 1gwq s SER 463 N -0.84 0.18 -0.07 1.45 0.15 -1.26 -5.04 113.70 108.27 1gwq s SER 463 Ca 0.00 -1.22 0.12 0.00 0.70 0.00 0.00 55.95 55.55 1gwq s SER 463 Cb 0.00 0.37 0.23 0.00 -1.71 0.00 0.00 66.02 64.91 1gwq s SER 463 CO 0.00 -0.83 1.11 -0.24 1.20 0.00 0.00 173.24 174.48 1gwq n SER 464 N -0.21 1.18 -4.86 5.45 2.88 -1.26 -4.95 113.62 111.86 1gwq n SER 464 Ca -0.02 -2.64 -0.30 0.00 -1.33 0.00 0.00 58.87 54.57 1gwq n SER 464 Cb 0.64 -0.34 0.04 0.00 -0.75 0.00 0.00 64.21 63.81 1gwq n SER 464 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1gwq s THR 465 N -1.41 3.87 0.27 2.46 -4.23 -1.26 -4.90 115.64 110.44 1gwq s THR 465 Ca 0.22 0.61 -0.00 0.00 -1.18 0.00 0.00 61.69 61.33 1gwq s THR 465 Cb 0.21 -3.52 0.26 0.00 1.34 0.00 0.00 72.50 70.79 1gwq s THR 465 CO -0.03 -0.79 1.81 -0.07 -0.54 0.00 0.00 174.62 174.99 1gwq h LEU 466 N -0.64 0.77 -0.18 4.79 3.38 -1.99 -1.11 115.31 120.34 1gwq h LEU 466 Ca -0.45 0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.59 1gwq h LEU 466 Cb 1.23 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 1gwq h LEU 466 CO 0.61 0.39 0.12 0.50 0.09 0.00 0.00 178.44 180.15 1gwq h LYS 467 N 0.85 0.23 -0.80 1.13 1.63 -1.98 0.11 116.57 117.75 1gwq h LYS 467 Ca 0.47 -0.01 0.04 0.00 -0.85 0.00 0.00 60.65 60.30 1gwq h LYS 467 Cb 0.52 -0.05 -0.05 0.00 -0.60 0.00 0.00 32.23 32.06 1gwq h LYS 467 CO -0.29 0.15 0.53 0.77 -3.45 0.00 0.00 179.45 177.16 1gwq h SER 468 N 0.24 0.83 -0.39 4.20 0.02 -1.60 0.26 113.55 117.12 1gwq h SER 468 Ca 0.07 -0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 60.93 1gwq h SER 468 Cb -0.02 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.31 1gwq h SER 468 CO -0.02 0.57 -0.05 -0.07 -1.14 0.00 0.00 176.83 176.12 1gwq h LEU 469 N 0.97 0.78 0.31 5.07 3.38 -0.40 -0.76 115.31 124.66 1gwq h LEU 469 Ca 0.32 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 1gwq h LEU 469 Cb 0.07 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.61 1gwq h LEU 469 CO -0.10 0.88 -0.15 -0.08 0.09 0.00 0.00 178.44 179.08 1gwq h GLU 470 N 0.74 -0.41 -0.28 1.13 4.81 0.13 -1.56 114.58 119.14 1gwq h GLU 470 Ca 0.13 0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.43 1gwq h GLU 470 Cb 0.52 0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.96 1gwq h GLU 470 CO 0.03 -0.23 0.06 0.93 -0.73 0.00 0.00 179.01 179.07 1gwq h GLU 471 N -0.48 0.17 -0.97 1.92 4.39 -0.14 -2.32 114.58 117.15 1gwq h GLU 471 Ca -0.04 -0.01 0.02 0.00 0.34 0.00 0.00 59.36 59.66 1gwq h GLU 471 Cb 0.36 -0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 28.92 1gwq h GLU 471 CO 0.07 0.11 0.64 0.87 -1.16 0.00 0.00 179.01 179.54 1gwq h LYS 472 N 0.17 1.25 -0.22 2.33 1.57 -1.09 0.18 116.57 120.76 1gwq h LYS 472 Ca 0.13 -0.08 -0.08 0.00 -1.87 0.00 0.00 60.65 58.75 1gwq h LYS 472 Cb 0.13 -0.28 -0.01 0.00 0.08 0.00 0.00 32.23 32.14 1gwq h LYS 472 CO -0.16 0.83 -0.21 0.22 -0.57 0.00 0.00 179.45 179.56 1gwq h ASP 473 N 1.29 0.39 -0.23 0.86 3.58 -1.07 0.50 116.42 121.75 1gwq h ASP 473 Ca 0.37 -0.12 -0.20 0.00 0.42 0.00 0.00 57.03 57.50 1gwq h ASP 473 Cb -0.11 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 40.84 1gwq h ASP 473 CO -0.09 0.62 -0.64 -0.74 -2.88 0.00 0.00 179.24 175.51 1gwq h HIS 474 N 0.36 1.09 -0.47 0.28 2.76 -0.69 -2.37 115.15 116.12 1gwq h HIS 474 Ca 0.06 -0.43 -0.09 0.00 -2.20 0.00 0.00 60.37 57.71 1gwq h HIS 474 Cb 0.58 -0.19 -0.02 0.00 1.55 0.00 0.00 27.41 29.33 1gwq h HIS 474 CO 0.02 1.26 -0.07 0.82 -1.30 0.00 0.00 177.93 178.65 1gwq h ILE 475 N 0.62 1.26 0.00 6.26 2.04 -0.43 -1.73 117.51 125.53 1gwq h ILE 475 Ca -0.01 -1.13 -0.07 0.00 1.00 0.00 0.00 64.86 64.64 1gwq h ILE 475 Cb 1.26 0.97 -0.01 0.00 -0.74 0.00 0.00 36.82 38.30 1gwq h ILE 475 CO 0.14 0.39 -0.35 0.45 0.00 0.00 0.00 178.15 178.78 1gwq h HIS 476 N 0.75 0.00 -0.03 1.37 3.86 -0.87 -1.53 115.15 118.71 1gwq h HIS 476 Ca 0.13 0.00 -0.25 0.00 -1.16 0.00 0.00 60.37 59.09 1gwq h HIS 476 Cb 0.56 0.00 0.02 0.00 1.06 0.00 0.00 27.41 29.04 1gwq h HIS 476 CO 0.03 0.35 -0.98 0.00 0.86 0.00 0.00 177.93 178.19 1gwq h ARG 477 N 0.00 0.67 -0.57 2.45 3.08 -0.79 -1.28 114.38 117.94 1gwq h ARG 477 Ca -0.00 -0.69 -0.05 0.00 0.07 0.00 0.00 59.98 59.31 1gwq h ARG 477 Cb 0.79 0.19 -0.02 0.00 0.08 0.00 0.00 29.97 31.00 1gwq h ARG 477 CO 0.05 1.28 0.18 0.28 -1.07 0.00 0.00 179.97 180.69 1gwq h VAL 478 N 0.39 1.24 -0.91 2.04 2.07 -1.19 -1.41 116.25 118.48 1gwq h VAL 478 Ca -0.11 -0.81 0.09 0.00 0.82 0.00 0.00 66.70 66.70 1gwq h VAL 478 Cb 1.63 0.68 -0.07 0.00 -1.52 0.00 0.00 31.29 32.02 1gwq h VAL 478 CO 0.19 0.30 0.58 -0.07 0.02 0.00 0.00 177.57 178.60 1gwq h LEU 479 N 0.80 0.83 -0.84 2.57 3.38 -1.24 0.82 115.31 121.63 1gwq h LEU 479 Ca 0.18 0.02 -0.12 0.00 0.09 0.00 0.00 57.88 58.06 1gwq h LEU 479 Cb 0.28 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1gwq h LEU 479 CO -0.01 0.49 -0.45 0.44 0.09 0.00 0.00 178.44 179.01 1gwq h ASP 480 N 0.92 0.31 -0.47 -0.43 5.19 -0.27 -1.49 116.42 120.18 1gwq h ASP 480 Ca 0.42 -0.14 -0.09 0.00 -0.62 0.00 0.00 57.03 56.60 1gwq h ASP 480 Cb 0.39 -0.09 -0.02 0.00 0.18 0.00 0.00 39.33 39.80 1gwq h ASP 480 CO -0.18 0.72 -0.04 0.11 -3.12 0.00 0.00 179.24 176.73 1gwq h LYS 481 N 0.24 0.86 -0.66 3.56 1.79 0.06 -0.54 116.57 121.88 1gwq h LYS 481 Ca 0.02 -0.29 -0.02 0.00 -2.18 0.00 0.00 60.65 58.17 1gwq h LYS 481 Cb 0.89 -0.07 -0.03 0.00 -1.58 0.00 0.00 32.23 31.44 1gwq h LYS 481 CO 0.07 0.92 0.33 0.82 -1.08 0.00 0.00 179.45 180.52 1gwq h ILE 482 N 0.71 1.22 0.40 1.86 2.04 -0.62 0.25 117.51 123.36 1gwq h ILE 482 Ca 0.13 -0.60 -0.01 0.00 1.00 0.00 0.00 64.86 65.38 1gwq h ILE 482 Cb 0.56 0.39 -0.02 0.00 -0.74 0.00 0.00 36.82 37.02 1gwq h ILE 482 CO 0.03 0.25 -0.34 0.74 0.00 0.00 0.00 178.15 178.83 1gwq h THR 483 N 0.92 0.30 -0.94 -0.27 2.02 -1.13 0.47 112.91 114.26 1gwq h THR 483 Ca 0.23 0.00 0.19 0.00 0.77 0.00 0.00 66.41 67.60 1gwq h THR 483 Cb 0.09 0.30 -0.11 0.00 -1.74 0.00 0.00 68.15 66.69 1gwq h THR 483 CO -0.03 0.00 0.52 0.44 0.37 0.00 0.00 175.52 176.82 1gwq h ASP 484 N -0.75 0.63 -0.46 4.18 3.32 -0.47 0.45 116.42 123.32 1gwq h ASP 484 Ca -0.03 0.11 -0.04 0.00 0.02 0.00 0.00 57.03 57.09 1gwq h ASP 484 Cb 0.66 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.20 1gwq h ASP 484 CO -0.03 0.19 0.14 0.74 -1.72 0.00 0.00 179.24 178.57 1gwq h THR 485 N 0.64 1.23 -0.43 0.35 2.02 0.15 -0.96 112.91 115.91 1gwq h THR 485 Ca 0.55 -0.76 0.02 0.00 0.77 0.00 0.00 66.41 66.99 1gwq h THR 485 Cb 0.90 0.85 -0.03 0.00 -1.74 0.00 0.00 68.15 68.12 1gwq h THR 485 CO -0.41 0.27 0.24 -0.07 0.37 0.00 0.00 175.52 175.92 1gwq h LEU 486 N 0.61 0.38 -0.79 2.58 3.38 0.19 -0.12 115.31 121.55 1gwq h LEU 486 Ca 0.15 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 1gwq h LEU 486 Cb 0.28 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 1gwq h LEU 486 CO -0.00 0.27 0.48 0.40 0.09 0.00 0.00 178.44 179.68 1gwq h ILE 487 N 0.49 1.22 -0.50 1.22 1.08 -1.06 -1.87 117.51 118.09 1gwq h ILE 487 Ca 0.18 -0.47 -0.13 0.00 -0.39 0.00 0.00 64.86 64.05 1gwq h ILE 487 Cb 0.04 0.11 -0.01 0.00 -3.07 0.00 0.00 36.82 33.89 1gwq h ILE 487 CO -0.09 0.23 -0.18 -0.74 -0.69 0.00 0.00 178.15 176.67 1gwq h HIS 488 N 1.08 1.13 -0.85 1.37 2.76 -0.70 -0.84 115.15 119.10 1gwq h HIS 488 Ca 0.28 -0.26 0.00 0.00 -2.20 0.00 0.00 60.37 58.20 1gwq h HIS 488 Cb -0.05 -0.27 -0.04 0.00 1.55 0.00 0.00 27.41 28.60 1gwq h HIS 488 CO -0.01 1.08 0.54 -0.07 -1.30 0.00 0.00 177.93 178.18 1gwq h LEU 489 N 0.87 0.99 -0.86 0.26 3.38 -0.52 -2.10 115.31 117.34 1gwq h LEU 489 Ca 0.12 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 1gwq h LEU 489 Cb 0.75 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 1gwq h LEU 489 CO 0.06 0.74 0.04 0.24 0.09 0.00 0.00 178.44 179.61 1gwq h MET 490 N 1.15 0.90 -0.19 1.13 2.86 -1.08 -1.97 114.93 117.73 1gwq h MET 490 Ca 0.31 -0.24 -0.18 0.00 -2.06 0.00 0.00 59.70 57.53 1gwq h MET 490 Cb -0.10 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 31.45 1gwq h MET 490 CO -0.06 0.86 -0.61 0.00 1.06 0.00 0.00 176.91 178.17 1gwq h ALA 491 N 1.20 0.58 0.00 6.32 0.00 -0.81 -2.30 119.26 124.26 1gwq h ALA 491 Ca 0.17 -0.54 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 1gwq h ALA 491 Cb 0.44 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1gwq h ALA 491 CO 0.02 0.70 -0.12 -0.22 0.00 0.00 0.00 179.25 179.63 1gwq h LYS 492 N 0.48 0.00 -0.01 0.00 3.64 -1.27 -1.12 116.57 118.29 1gwq h LYS 492 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1gwq h LYS 492 Cb 1.18 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 1gwq h LYS 492 CO 0.12 0.12 -0.09 0.00 -2.27 0.00 0.00 179.45 177.33 1gwq n ALA 493 N -2.26 2.75 -0.43 5.00 0.00 -0.75 -4.93 120.51 119.90 1gwq n ALA 493 Ca -0.02 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.05 1gwq n ALA 493 Cb 0.25 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.47 1gwq n ALA 493 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1gwq n GLY 494 N 1.22 0.78 3.81 0.00 0.00 -0.42 -5.06 105.19 105.51 1gwq n GLY 494 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 1gwq n GLY 494 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1gwq s LEU 495 N 0.00 3.62 1.02 0.99 1.43 -0.89 -5.01 118.68 119.83 1gwq s LEU 495 Ca 0.00 1.81 -0.14 0.00 -1.03 0.00 0.00 54.13 54.76 1gwq s LEU 495 Cb 0.00 -4.54 0.20 0.00 0.03 0.00 0.00 46.19 41.88 1gwq s LEU 495 CO 0.00 -0.96 1.14 0.42 0.23 0.00 0.00 176.35 177.18 1gwq s THR 496 N -2.35 1.90 0.19 5.49 -4.23 -1.26 -4.70 115.64 110.68 1gwq s THR 496 Ca 0.64 0.00 -0.12 0.00 -1.18 0.00 0.00 61.69 61.02 1gwq s THR 496 Cb -0.15 -2.64 0.10 0.00 1.34 0.00 0.00 72.50 71.15 1gwq s THR 496 CO 0.31 0.00 1.84 0.25 -0.54 0.00 0.00 174.62 176.48 1gwq h LEU 497 N -1.90 0.63 -0.88 4.79 5.85 -1.98 0.37 115.31 122.18 1gwq h LEU 497 Ca -0.50 -0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.11 1gwq h LEU 497 Cb 1.31 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 42.19 1gwq h LEU 497 CO 0.52 0.44 -0.32 -0.61 -0.34 0.00 0.00 178.44 178.13 1gwq h GLN 498 N 0.75 0.44 -0.17 1.25 4.15 -1.99 -0.41 115.11 119.13 1gwq h GLN 498 Ca 0.23 -0.19 -0.04 0.00 0.77 0.00 0.00 58.65 59.42 1gwq h GLN 498 Cb -0.02 -0.02 -0.00 0.00 0.21 0.00 0.00 27.48 27.65 1gwq h GLN 498 CO -0.08 0.72 -0.05 1.96 -1.93 0.00 0.00 178.83 179.44 1gwq h GLN 499 N 0.38 0.33 -0.10 1.69 4.20 -1.63 -1.52 115.11 118.46 1gwq h GLN 499 Ca 0.05 -0.13 0.03 0.00 0.06 0.00 0.00 58.65 58.65 1gwq h GLN 499 Cb 0.75 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.49 1gwq h GLN 499 CO 0.06 0.61 -0.08 1.96 -0.67 0.00 0.00 178.83 180.71 1gwq h GLN 500 N 0.03 -0.09 -0.48 1.46 4.20 0.18 -0.03 115.11 120.37 1gwq h GLN 500 Ca 0.04 0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.78 1gwq h GLN 500 Cb 0.50 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.27 1gwq h GLN 500 CO 0.02 -0.06 0.29 0.45 -0.67 0.00 0.00 178.83 178.85 1gwq h HIS 501 N -0.10 0.54 -0.67 2.96 3.86 -1.02 -1.94 115.15 118.78 1gwq h HIS 501 Ca 0.07 0.02 0.04 0.00 -1.16 0.00 0.00 60.37 59.34 1gwq h HIS 501 Cb 0.19 -0.17 -0.05 0.00 1.06 0.00 0.00 27.41 28.44 1gwq h HIS 501 CO -0.20 0.31 0.39 1.96 0.86 0.00 0.00 177.93 181.26 1gwq h GLN 502 N 0.58 0.73 -0.34 2.45 4.20 -0.84 -2.60 115.11 119.28 1gwq h GLN 502 Ca 0.19 -0.04 -0.12 0.00 0.06 0.00 0.00 58.65 58.74 1gwq h GLN 502 Cb 0.01 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.62 1gwq h GLN 502 CO -0.09 0.48 -0.27 -0.09 -0.67 0.00 0.00 178.83 178.20 1gwq h ARG 503 N 0.75 0.69 -0.65 1.46 2.43 -0.54 -0.85 114.38 117.68 1gwq h ARG 503 Ca 0.28 -0.29 0.04 0.00 -0.81 0.00 0.00 59.98 59.20 1gwq h ARG 503 Cb 0.10 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.58 1gwq h ARG 503 CO -0.14 0.88 0.39 1.25 -1.51 0.00 0.00 179.97 180.84 1gwq h LEU 504 N 0.60 0.61 -0.27 3.80 5.85 -1.04 0.19 115.31 125.05 1gwq h LEU 504 Ca 0.08 0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.72 1gwq h LEU 504 Cb 0.76 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 1gwq h LEU 504 CO 0.06 0.42 -0.19 0.00 -0.34 0.00 0.00 178.44 178.39 1gwq h ALA 505 N 1.30 0.39 -0.37 1.25 0.00 -1.21 0.13 119.26 120.75 1gwq h ALA 505 Ca 0.27 -0.35 0.06 0.00 0.00 0.00 0.00 54.91 54.89 1gwq h ALA 505 Cb 0.07 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 1gwq h ALA 505 CO -0.13 0.32 0.06 1.96 0.00 0.00 0.00 179.25 181.46 1gwq h GLN 506 N 0.33 0.18 -0.39 0.00 4.20 -0.40 0.18 115.11 119.22 1gwq h GLN 506 Ca 0.05 -0.01 -0.12 0.00 0.06 0.00 0.00 58.65 58.63 1gwq h GLN 506 Cb 0.73 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.46 1gwq h GLN 506 CO 0.05 0.12 -0.21 -0.07 -0.67 0.00 0.00 178.83 178.05 1gwq h LEU 507 N 0.18 0.86 -0.94 1.46 3.38 -0.52 -3.17 115.31 116.57 1gwq h LEU 507 Ca 0.18 -0.41 -0.10 0.00 0.09 0.00 0.00 57.88 57.64 1gwq h LEU 507 Cb 0.21 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1gwq h LEU 507 CO -0.24 1.09 -0.26 -0.07 0.09 0.00 0.00 178.44 179.05 1gwq h LEU 508 N 0.64 0.47 -1.59 1.67 3.38 -0.48 -2.74 115.31 116.67 1gwq h LEU 508 Ca 0.08 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 1gwq h LEU 508 Cb 0.77 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 1gwq h LEU 508 CO 0.06 0.73 -0.02 -0.07 0.09 0.00 0.00 178.44 179.23 1gwq h LEU 509 N 0.41 0.22 -1.54 1.67 3.38 -0.65 0.06 115.31 118.87 1gwq h LEU 509 Ca 0.06 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1gwq h LEU 509 Cb 0.67 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 1gwq h LEU 509 CO 0.05 0.28 0.12 0.40 0.09 0.00 0.00 178.44 179.38 1gwq h ILE 510 N 0.24 1.12 -0.24 1.22 2.04 -1.46 -1.15 117.51 119.28 1gwq h ILE 510 Ca 0.06 -0.38 0.07 0.00 1.00 0.00 0.00 64.86 65.60 1gwq h ILE 510 Cb 0.19 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 1gwq h ILE 510 CO 0.01 0.15 0.18 -0.07 0.00 0.00 0.00 178.15 178.41 1gwq h LEU 511 N 0.42 0.00 -0.59 1.44 3.38 -0.96 0.25 115.31 119.26 1gwq h LEU 511 Ca 0.11 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.95 1gwq h LEU 511 Cb 0.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1gwq h LEU 511 CO -0.01 0.00 -0.29 0.28 0.09 0.00 0.00 178.44 178.51 1gwq h SER 512 N 0.00 0.83 -0.04 -0.43 0.02 -1.28 -1.11 113.55 111.54 1gwq h SER 512 Ca 0.11 -0.33 -0.09 0.00 -0.84 0.00 0.00 61.79 60.65 1gwq h SER 512 Cb 0.47 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.77 1gwq h SER 512 CO -0.00 1.07 -0.22 -0.74 -1.14 0.00 0.00 176.83 175.80 1gwq h HIS 513 N 0.69 0.48 -0.29 3.45 -0.00 -0.53 -2.13 115.15 116.81 1gwq h HIS 513 Ca 0.08 -0.09 -0.18 0.00 -0.00 0.00 0.00 60.37 60.18 1gwq h HIS 513 Cb 0.83 -0.12 0.00 0.00 -0.00 0.00 0.00 27.41 28.11 1gwq h HIS 513 CO 0.05 0.63 -0.52 0.82 -0.00 0.00 0.00 177.93 178.91 1gwq h ILE 514 N 0.40 1.28 -0.57 6.26 2.04 -0.92 -1.06 117.51 124.93 1gwq h ILE 514 Ca 0.06 -1.70 0.08 0.00 1.00 0.00 0.00 64.86 64.30 1gwq h ILE 514 Cb 0.60 1.62 -0.06 0.00 -0.74 0.00 0.00 36.82 38.24 1gwq h ILE 514 CO 0.04 0.56 0.23 -0.09 0.00 0.00 0.00 178.15 178.89 1gwq h ARG 515 N 0.65 0.42 0.07 2.37 9.65 -1.04 0.45 114.38 126.96 1gwq h ARG 515 Ca 0.02 -0.03 -0.00 0.00 -1.10 0.00 0.00 59.98 58.87 1gwq h ARG 515 Cb 1.13 -0.09 -0.00 0.00 -1.39 0.00 0.00 29.97 29.61 1gwq h ARG 515 CO 0.12 0.28 -0.04 1.25 2.80 0.00 0.00 179.97 184.37 1gwq h HIS 516 N 0.43 -0.11 -0.76 2.20 2.76 -1.19 0.13 115.15 118.61 1gwq h HIS 516 Ca 0.28 -0.00 0.08 0.00 -2.20 0.00 0.00 60.37 58.52 1gwq h HIS 516 Cb 0.29 0.04 -0.07 0.00 1.55 0.00 0.00 27.41 29.23 1gwq h HIS 516 CO -0.15 -0.07 0.43 0.52 -1.30 0.00 0.00 177.93 177.36 1gwq h MET 517 N -0.11 0.73 -0.72 5.26 2.86 -0.62 -1.90 114.93 120.42 1gwq h MET 517 Ca -0.00 -0.04 -0.07 0.00 -2.06 0.00 0.00 59.70 57.53 1gwq h MET 517 Cb 0.10 -0.16 -0.03 0.00 0.06 0.00 0.00 31.60 31.56 1gwq h MET 517 CO 0.00 0.48 0.19 1.03 1.06 0.00 0.00 176.91 179.67 1gwq h SER 518 N 0.75 1.07 -0.58 1.22 0.87 -0.36 -0.30 113.55 116.23 1gwq h SER 518 Ca 0.36 -0.22 -0.07 0.00 -1.23 0.00 0.00 61.79 60.63 1gwq h SER 518 Cb 0.29 -0.28 -0.03 0.00 -0.44 0.00 0.00 62.40 61.94 1gwq h SER 518 CO -0.22 1.02 0.11 0.78 -0.53 0.00 0.00 176.83 177.99 1gwq h ASN 519 N 1.08 0.93 0.48 6.23 2.35 0.01 0.36 115.58 127.02 1gwq h ASN 519 Ca 0.23 -0.20 -0.17 0.00 -0.55 0.00 0.00 56.30 55.61 1gwq h ASN 519 Cb 0.36 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.47 1gwq h ASN 519 CO -0.00 0.92 -0.73 0.11 -1.65 0.00 0.00 177.43 176.09 1gwq h LYS 520 N 0.93 0.21 -0.37 0.81 1.79 -1.21 -2.46 116.57 116.27 1gwq h LYS 520 Ca 0.19 -0.18 -0.14 0.00 -2.18 0.00 0.00 60.65 58.34 1gwq h LYS 520 Cb 0.39 0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.07 1gwq h LYS 520 CO 0.01 0.84 -0.32 0.78 -1.08 0.00 0.00 179.45 179.68 1gwq h GLY 521 N 1.67 0.95 0.88 3.86 0.00 -0.80 0.14 103.07 109.77 1gwq h GLY 521 Ca -0.02 -0.94 0.02 0.00 0.00 0.00 0.00 47.33 46.39 1gwq h GLY 521 CO 0.11 0.85 0.21 1.98 0.00 0.00 0.00 176.54 179.69 1gwq h MET 522 N 0.67 0.42 -0.25 4.80 -1.53 -0.86 0.56 114.93 118.74 1gwq h MET 522 Ca 0.07 -0.03 0.03 0.00 -3.44 0.00 0.00 59.70 56.33 1gwq h MET 522 Cb 0.90 -0.09 -0.03 0.00 -0.55 0.00 0.00 31.60 31.82 1gwq h MET 522 CO 0.08 0.28 0.07 0.93 0.14 0.00 0.00 176.91 178.40 1gwq h GLU 523 N 0.43 0.16 -0.88 0.39 4.39 -1.18 0.14 114.58 118.03 1gwq h GLU 523 Ca 0.15 -0.01 0.02 0.00 0.34 0.00 0.00 59.36 59.86 1gwq h GLU 523 Cb 0.02 -0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 28.59 1gwq h GLU 523 CO -0.08 0.11 0.58 1.25 -1.16 0.00 0.00 179.01 179.70 1gwq h HIS 524 N 0.17 1.09 -0.05 4.33 2.76 -0.18 0.05 115.15 123.31 1gwq h HIS 524 Ca 0.11 0.03 -0.10 0.00 -2.20 0.00 0.00 60.37 58.21 1gwq h HIS 524 Cb 0.10 -0.37 -0.01 0.00 1.55 0.00 0.00 27.41 28.68 1gwq h HIS 524 CO -0.14 0.67 -0.44 1.25 -1.30 0.00 0.00 177.93 177.97 1gwq h LEU 525 N 1.17 0.12 -0.13 0.26 5.85 0.76 -1.51 115.31 121.83 1gwq h LEU 525 Ca 0.33 -0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.94 1gwq h LEU 525 Cb -0.10 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 40.89 1gwq h LEU 525 CO -0.08 0.55 -0.13 0.22 -0.34 0.00 0.00 178.44 178.65 1gwq h TYR 526 N 0.09 0.38 0.18 1.25 3.20 0.05 -2.06 116.97 120.07 1gwq h TYR 526 Ca 0.01 -0.11 0.01 0.00 3.14 0.00 0.00 58.73 61.77 1gwq h TYR 526 Cb 0.82 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.98 1gwq h TYR 526 CO 0.01 0.72 -0.22 0.77 -1.64 0.00 0.00 178.16 177.80 1gwq h SER 527 N -0.07 -0.60 -1.00 -2.11 0.02 -0.82 -0.79 113.55 108.17 1gwq h SER 527 Ca 0.02 0.06 0.17 0.00 -0.84 0.00 0.00 61.79 61.20 1gwq h SER 527 Cb 0.66 0.22 -0.10 0.00 0.14 0.00 0.00 62.40 63.32 1gwq h SER 527 CO 0.03 -0.32 0.62 0.24 -1.14 0.00 0.00 176.83 176.26 1gwq h MET 528 N -0.45 0.81 0.00 3.45 2.86 -1.30 0.29 114.93 120.59 1gwq h MET 528 Ca 0.01 -0.05 -0.08 0.00 -2.06 0.00 0.00 59.70 57.52 1gwq h MET 528 Cb 0.44 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.91 1gwq h MET 528 CO -0.08 0.54 -0.36 -0.22 1.06 0.00 0.00 176.91 177.85 1gwq h LYS 529 N 0.83 0.00 0.00 1.72 3.64 -0.54 -2.58 116.57 119.64 1gwq h LYS 529 Ca 0.55 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.88 1gwq h LYS 529 Cb 0.78 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.59 1gwq h LYS 529 CO -0.34 0.36 -0.32 0.00 -2.27 0.00 0.00 179.45 176.88 1gwq n LYS 531 N -3.14 2.31 -3.53 0.00 5.02 -0.32 -4.98 118.16 113.53 1gwq n LYS 531 Ca 0.02 -2.01 -0.19 0.00 -2.02 0.00 0.00 58.31 54.12 1gwq n LYS 531 Cb 0.64 -1.47 0.07 0.00 -0.02 0.00 0.00 35.03 34.25 1gwq n LYS 531 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1gwq n ASN 532 N 1.18 -2.13 -0.08 4.39 3.02 -1.08 -4.95 115.26 115.61 1gwq n ASN 532 Ca 0.19 -0.67 -0.10 0.00 -0.03 0.00 0.00 54.58 53.97 1gwq n ASN 532 Cb 0.51 -4.80 -0.08 0.00 -0.61 0.00 0.00 39.78 34.81 1gwq n ASN 532 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1gwq n VAL 533 N -4.24 0.91 -2.36 2.41 0.31 -1.00 -4.97 118.33 109.39 1gwq n VAL 533 Ca -0.27 -0.40 -0.43 0.00 -0.01 0.00 0.00 64.34 63.23 1gwq n VAL 533 Cb 0.66 -0.96 -0.02 0.00 -0.91 0.00 0.00 33.84 32.61 1gwq n VAL 533 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1gwq s VAL 534 N -2.32 4.15 0.92 2.52 1.01 -1.25 -4.75 120.40 120.68 1gwq s VAL 534 Ca -0.17 1.37 -0.12 0.00 0.00 0.00 0.00 61.98 63.06 1gwq s VAL 534 Cb 0.05 -3.96 0.09 0.00 0.00 0.00 0.00 36.38 32.57 1gwq s VAL 534 CO 0.41 -0.20 0.82 -2.65 0.00 0.00 0.00 175.10 173.47 1gwq n PRO 535 N 6.86 -0.32 -2.05 2.72 -0.02 -1.26 -4.82 135.00 136.12 1gwq n PRO 535 Ca 0.15 -0.03 -0.42 0.00 -2.02 0.00 0.00 63.50 61.17 1gwq n PRO 535 Cb 0.45 -2.14 -0.00 0.00 -0.02 0.00 0.00 33.50 31.78 1gwq n PRO 535 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1gwq n LEU 536 N -2.80 5.94 -4.47 2.45 4.77 -1.26 -4.91 117.00 116.72 1gwq n LEU 536 Ca 0.10 -3.99 -0.43 0.00 -0.03 0.00 0.00 56.01 51.65 1gwq n LEU 536 Cb 0.52 -1.68 -0.08 0.00 -2.33 0.00 0.00 43.42 39.86 1gwq n LEU 536 CO 0.50 0.62 0.21 -0.31 -1.33 0.00 0.00 177.39 177.08 1gwq s TYR 537 N 3.84 3.13 0.17 -1.77 2.02 -1.26 -4.97 117.35 118.50 1gwq s TYR 537 Ca 0.51 -0.43 -0.20 0.00 -0.37 0.00 0.00 57.07 56.57 1gwq s TYR 537 Cb 0.10 -3.18 0.08 0.00 -0.40 0.00 0.00 41.96 38.57 1gwq s TYR 537 CO -0.01 -0.83 1.62 -0.44 -1.57 0.00 0.00 175.55 174.32 1gwq h ASP 538 N 8.83 -0.81 -0.31 2.29 3.32 -1.97 1.23 116.42 129.00 1gwq h ASP 538 Ca -0.27 0.16 -0.06 0.00 0.02 0.00 0.00 57.03 56.89 1gwq h ASP 538 Cb 1.10 0.41 -0.01 0.00 0.22 0.00 0.00 39.33 41.05 1gwq h ASP 538 CO 0.87 -0.27 -0.03 0.25 -1.72 0.00 0.00 179.24 178.34 1gwq h LEU 539 N -0.18 0.57 -0.49 1.55 5.85 -1.94 0.12 115.31 120.78 1gwq h LEU 539 Ca 0.19 -0.33 -0.04 0.00 0.84 0.00 0.00 57.88 58.54 1gwq h LEU 539 Cb 0.47 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 1gwq h LEU 539 CO -0.49 0.76 0.17 0.25 -0.34 0.00 0.00 178.44 178.79 1gwq h LEU 540 N 0.36 0.71 -0.28 2.25 5.85 -1.79 -2.43 115.31 119.97 1gwq h LEU 540 Ca 0.09 -0.19 0.01 0.00 0.84 0.00 0.00 57.88 58.62 1gwq h LEU 540 Cb 0.49 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 1gwq h LEU 540 CO 0.02 0.71 0.18 -0.07 -0.34 0.00 0.00 178.44 178.94 1gwq h LEU 541 N 0.66 0.31 -0.05 2.25 3.38 0.17 -2.26 115.31 119.77 1gwq h LEU 541 Ca 0.16 -0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.16 1gwq h LEU 541 Cb 0.25 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 40.87 1gwq h LEU 541 CO -0.01 0.22 -0.34 -0.08 0.09 0.00 0.00 178.44 178.32 1gwq h GLU 542 N 0.37 -0.45 -0.16 1.13 4.81 -0.58 -2.08 114.58 117.62 1gwq h GLU 542 Ca 0.11 0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.36 1gwq h GLU 542 Cb -0.03 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 1gwq h GLU 542 CO -0.03 -0.30 0.07 0.52 -0.73 0.00 0.00 179.01 178.54 1gwq h MET 543 N -0.47 0.22 -0.25 1.92 2.86 -1.34 -2.22 114.93 115.64 1gwq h MET 543 Ca 0.07 -0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.65 1gwq h MET 543 Cb 0.58 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.18 1gwq h MET 543 CO -0.31 0.18 -0.01 1.25 1.06 0.00 0.00 176.91 179.08 1gwq h LEU 544 N 0.22 0.45 -2.12 1.22 5.85 -0.78 -2.98 115.31 117.18 1gwq h LEU 544 Ca 0.06 -0.32 -0.02 0.00 0.84 0.00 0.00 57.88 58.44 1gwq h LEU 544 Cb 0.04 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 40.94 1gwq h LEU 544 CO -0.01 0.66 -0.08 0.44 -0.34 0.00 0.00 178.44 179.12 1gwq h ASP 545 N 0.23 0.00 0.05 1.25 3.32 -0.80 -2.20 116.42 118.27 1gwq h ASP 545 Ca 0.07 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.12 1gwq h ASP 545 Cb 0.44 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.99 1gwq h ASP 545 CO 0.02 0.08 0.00 0.00 -1.72 0.00 0.00 179.24 177.61 1gwq h ALA 546 N 1.92 1.00 0.00 3.45 0.00 -1.37 -1.05 119.26 123.22 1gwq h ALA 546 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1gwq h ALA 546 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1gwq h ALA 546 CO 0.01 0.00 -1.63 0.72 0.00 0.00 0.00 179.25 178.35 1gwq n HIS 547 N -2.91 0.16 1.13 0.00 8.25 -0.83 -5.01 115.22 116.03 1gwq n HIS 547 Ca -0.02 0.05 0.13 0.00 -0.26 0.00 0.00 57.72 57.61 1gwq n HIS 547 Cb 0.07 -0.50 0.21 0.00 1.12 0.00 0.00 29.99 30.90 1gwq n HIS 547 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52