#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 3.95 0.65 1.43 1.02 -1.26 -5.04 119.74 120.49 1gwq s LYS 302 Ca 0.00 1.15 -0.13 0.00 0.02 0.00 0.00 55.97 57.01 1gwq s LYS 302 Cb 0.00 -2.13 -0.01 0.00 -0.52 0.00 0.00 37.83 35.17 1gwq s LYS 302 CO 0.00 -0.28 1.06 -1.59 -0.92 0.00 0.00 175.35 173.61 1gwq s LYS 303 N -3.52 3.12 0.22 1.68 -2.85 -1.26 -4.92 119.74 112.21 1gwq s LYS 303 Ca 0.63 1.03 -0.32 0.00 -1.00 0.00 0.00 55.97 56.31 1gwq s LYS 303 Cb -0.12 -2.01 -0.14 0.00 -2.06 0.00 0.00 37.83 33.50 1gwq s LYS 303 CO 0.22 -0.96 1.38 0.27 0.10 0.00 0.00 175.35 176.36 1gwq n ASN 304 N -2.70 2.53 -4.77 0.03 6.94 -1.26 -4.92 115.26 111.12 1gwq n ASN 304 Ca 0.08 1.14 -0.41 0.00 -0.02 0.00 0.00 54.58 55.37 1gwq n ASN 304 Cb 0.53 -1.39 -0.02 0.00 -2.36 0.00 0.00 39.78 36.54 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 0.29 6.70 0.57 0.53 0.15 -1.26 -4.88 113.70 115.80 1gwq s SER 305 Ca 0.70 2.74 0.26 0.00 0.70 0.00 0.00 55.95 60.35 1gwq s SER 305 Cb -0.69 -2.65 1.63 0.00 -1.71 0.00 0.00 66.02 62.60 1gwq s SER 305 CO 0.49 -0.60 2.16 -0.07 1.20 0.00 0.00 173.24 176.42 1gwq h LEU 306 N 3.50 0.00 -2.45 3.45 3.38 -2.02 -1.11 115.31 120.07 1gwq h LEU 306 Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.48 1gwq h LEU 306 Cb 1.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.98 1gwq h LEU 306 CO 0.66 0.00 0.03 0.00 0.09 0.00 0.00 178.44 179.22 1gwq h ALA 307 N 1.89 1.02 -0.01 1.53 0.00 -1.94 -1.25 119.26 120.50 1gwq h ALA 307 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1gwq h ALA 307 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1gwq h ALA 307 CO -0.00 -0.02 -0.06 1.28 0.00 0.00 0.00 179.25 180.44 1gwq n LEU 308 N -2.81 1.32 -0.30 0.00 4.77 -0.42 -3.83 117.00 115.73 1gwq n LEU 308 Ca -0.02 -0.42 0.10 0.00 -0.03 0.00 0.00 56.01 55.64 1gwq n LEU 308 Cb 0.08 -0.03 -0.04 0.00 -2.33 0.00 0.00 43.42 41.10 1gwq n LEU 308 CO 0.16 0.23 0.17 -1.20 -1.33 0.00 0.00 177.39 175.42 1gwq n SER 309 N -0.08 1.56 -4.74 -1.43 7.64 -0.47 -4.98 113.62 111.11 1gwq n SER 309 Ca 0.17 -1.28 -0.37 0.00 1.01 0.00 0.00 58.87 58.41 1gwq n SER 309 Cb 0.34 0.66 0.05 0.00 -1.01 0.00 0.00 64.21 64.25 1gwq n SER 309 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1gwq s LEU 310 N -2.53 3.64 0.67 -3.43 1.43 -1.25 -5.02 118.68 112.18 1gwq s LEU 310 Ca 0.13 2.51 -0.04 0.00 -1.03 0.00 0.00 54.13 55.71 1gwq s LEU 310 Cb 0.16 -4.59 0.07 0.00 0.03 0.00 0.00 46.19 41.86 1gwq s LEU 310 CO 0.61 -1.77 0.95 0.42 0.23 0.00 0.00 176.35 176.79 1gwq s THR 311 N -1.49 2.36 0.12 5.49 -4.23 -1.26 -4.85 115.64 111.78 1gwq s THR 311 Ca 0.79 -0.44 -0.26 0.00 -1.18 0.00 0.00 61.69 60.60 1gwq s THR 311 Cb -0.34 -2.92 -0.05 0.00 1.34 0.00 0.00 72.50 70.53 1gwq s THR 311 CO 0.37 0.00 1.63 0.00 -0.54 0.00 0.00 174.62 176.07 1gwq h ALA 312 N -0.44 -0.39 -0.82 3.99 0.00 -1.94 -0.12 119.26 119.54 1gwq h ALA 312 Ca -0.42 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.52 1gwq h ALA 312 Cb 1.30 0.51 -0.05 0.00 0.00 0.00 0.00 17.79 19.55 1gwq h ALA 312 CO 0.53 -0.79 0.54 -0.44 0.00 0.00 0.00 179.25 179.08 1gwq h ASP 313 N -0.43 0.87 0.06 0.00 3.32 -1.95 -1.87 116.42 116.42 1gwq h ASP 313 Ca 0.06 -0.01 -0.12 0.00 0.02 0.00 0.00 57.03 56.99 1gwq h ASP 313 Cb 0.52 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 1gwq h ASP 313 CO -0.25 0.59 -0.39 1.56 -1.72 0.00 0.00 179.24 179.04 1gwq h GLN 314 N 1.00 0.44 -0.40 3.56 4.20 -1.72 -1.61 115.11 120.58 1gwq h GLN 314 Ca 0.33 -0.21 -0.03 0.00 0.06 0.00 0.00 58.65 58.80 1gwq h GLN 314 Cb 0.04 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.80 1gwq h GLN 314 CO -0.10 0.76 0.13 1.98 -0.67 0.00 0.00 178.83 180.93 1gwq h MET 315 N 0.37 0.61 -0.18 1.46 4.05 -0.50 -0.43 114.93 120.32 1gwq h MET 315 Ca 0.04 -0.13 -0.00 0.00 -0.28 0.00 0.00 59.70 59.32 1gwq h MET 315 Cb 0.84 -0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 31.54 1gwq h MET 315 CO 0.07 0.61 0.10 0.28 0.23 0.00 0.00 176.91 178.19 1gwq h VAL 316 N 0.50 1.11 -1.01 -5.77 2.07 -1.15 -0.41 116.25 111.59 1gwq h VAL 316 Ca 0.13 -0.30 0.06 0.00 0.82 0.00 0.00 66.70 67.42 1gwq h VAL 316 Cb 0.24 0.98 -0.07 0.00 -1.52 0.00 0.00 31.29 30.93 1gwq h VAL 316 CO -0.01 0.10 0.65 0.28 0.02 0.00 0.00 177.57 178.62 1gwq h SER 317 N 0.18 1.05 0.16 0.57 0.02 -1.12 -0.42 113.55 114.00 1gwq h SER 317 Ca 0.06 0.01 -0.15 0.00 -0.84 0.00 0.00 61.79 60.87 1gwq h SER 317 Cb 0.08 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.39 1gwq h SER 317 CO -0.01 0.68 -0.55 0.00 -1.14 0.00 0.00 176.83 175.81 1gwq h ALA 318 N 1.45 0.80 0.01 3.77 0.00 -0.62 -1.93 119.26 122.73 1gwq h ALA 318 Ca 0.43 -0.51 -0.22 0.00 0.00 0.00 0.00 54.91 54.61 1gwq h ALA 318 Cb 0.14 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1gwq h ALA 318 CO -0.17 0.69 -0.95 -0.07 0.00 0.00 0.00 179.25 178.76 1gwq h LEU 319 N 0.32 0.49 -1.02 0.00 3.38 -0.16 -2.67 115.31 115.66 1gwq h LEU 319 Ca 0.01 -0.40 -0.04 0.00 0.09 0.00 0.00 57.88 57.53 1gwq h LEU 319 Cb 1.06 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.63 1gwq h LEU 319 CO 0.10 1.20 0.20 -0.07 0.09 0.00 0.00 178.44 179.96 1gwq h LEU 320 N 0.21 0.83 -0.86 1.67 3.38 -1.11 -2.88 115.31 116.55 1gwq h LEU 320 Ca -0.08 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 57.71 1gwq h LEU 320 Cb 1.58 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 42.09 1gwq h LEU 320 CO 0.16 0.78 0.26 -0.78 0.09 0.00 0.00 178.44 178.95 1gwq h ASP 321 N 0.88 1.02 0.74 -0.43 1.82 -1.25 -2.63 116.42 116.57 1gwq h ASP 321 Ca 0.20 -0.17 0.00 0.00 -0.39 0.00 0.00 57.03 56.67 1gwq h ASP 321 Cb 0.24 -0.26 0.00 0.00 0.68 0.00 0.00 39.33 39.98 1gwq h ASP 321 CO -0.01 0.92 0.00 0.00 -1.61 0.00 0.00 179.24 178.54 1gwq n ALA 322 N -2.44 1.95 -1.54 -0.78 0.00 -1.01 -4.88 120.51 111.80 1gwq n ALA 322 Ca 0.06 -0.06 -0.51 0.00 0.00 0.00 0.00 53.44 52.93 1gwq n ALA 322 Cb 0.20 -1.34 -0.05 0.00 0.00 0.00 0.00 19.45 18.26 1gwq n ALA 322 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1gwq n GLU 323 N -1.57 0.77 -0.99 0.00 -0.58 -0.99 -4.63 120.64 112.64 1gwq n GLU 323 Ca 0.05 0.27 -0.29 0.00 -0.42 0.00 0.00 57.16 56.77 1gwq n GLU 323 Cb 0.25 -1.70 0.18 0.00 -0.57 0.00 0.00 31.44 29.59 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 -0.38 0.54 0.54 3.49 0.04 -1.26 -5.01 135.00 132.96 1gwq s PRO 324 Ca 0.75 0.84 -0.19 0.00 0.04 0.00 0.00 61.00 62.44 1gwq s PRO 324 Cb -0.95 -1.72 -0.06 0.00 0.04 0.00 0.00 34.50 31.81 1gwq s PRO 324 CO 0.54 -2.74 1.07 -1.25 0.04 0.00 0.00 177.00 174.66 1gwq s PRO 325 N -4.80 3.50 0.10 0.56 0.04 -1.26 -5.00 135.00 128.13 1gwq s PRO 325 Ca 0.65 1.38 -0.30 0.00 0.04 0.00 0.00 61.00 62.78 1gwq s PRO 325 Cb -0.20 -2.05 -0.06 0.00 0.04 0.00 0.00 34.50 32.23 1gwq s PRO 325 CO 0.59 -0.69 1.07 0.42 0.04 0.00 0.00 177.00 178.43 1gwq s ILE 326 N -2.08 4.24 0.23 0.56 1.01 -1.26 -5.05 121.20 118.85 1gwq s ILE 326 Ca 0.68 1.76 0.10 0.00 0.00 0.00 0.00 60.65 63.18 1gwq s ILE 326 Cb -0.18 -4.12 -0.04 0.00 0.01 0.00 0.00 42.46 38.12 1gwq s ILE 326 CO 0.27 0.22 -0.09 -0.76 0.00 0.00 0.00 174.94 174.59 1gwq s LEU 327 N 0.34 2.96 0.11 2.97 1.43 -1.26 -5.14 118.68 120.09 1gwq s LEU 327 Ca 0.52 -0.70 0.08 0.00 -1.03 0.00 0.00 54.13 53.00 1gwq s LEU 327 Cb -0.26 -1.56 -0.04 0.00 0.03 0.00 0.00 46.19 44.36 1gwq s LEU 327 CO 0.31 0.06 -0.16 -0.31 0.23 0.00 0.00 176.35 176.48 1gwq s TYR 328 N -2.07 2.60 0.95 0.29 1.51 -1.26 -4.41 117.35 114.96 1gwq s TYR 328 Ca 0.28 -0.23 -0.12 0.00 -1.01 0.00 0.00 57.07 55.99 1gwq s TYR 328 Cb -0.07 -1.38 0.16 0.00 -0.11 0.00 0.00 41.96 40.56 1gwq s TYR 328 CO 0.17 0.39 1.12 0.45 -1.11 0.00 0.00 175.55 176.57 1gwq s SER 329 N -2.14 3.08 -0.10 2.29 0.15 -1.26 -5.06 113.70 110.67 1gwq s SER 329 Ca 0.19 1.05 -0.01 0.00 0.70 0.00 0.00 55.95 57.88 1gwq s SER 329 Cb -0.11 -1.67 -0.00 0.00 -1.71 0.00 0.00 66.02 62.53 1gwq s SER 329 CO 0.11 -2.83 -0.02 1.05 1.20 0.00 0.00 173.24 172.75 1gwq h GLU 330 N -1.69 0.00 -2.20 5.44 4.11 -1.95 -3.50 114.58 114.79 1gwq h GLU 330 Ca -0.52 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 58.87 1gwq h GLU 330 Cb 1.33 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 30.36 1gwq h GLU 330 CO 0.60 0.00 -0.03 -0.06 0.07 0.00 0.00 179.01 179.59 1gwq s PHE 337 N -1.62 -0.84 0.33 2.06 0.08 -1.26 -5.12 117.98 111.62 1gwq s PHE 337 Ca -0.02 1.81 0.09 0.00 0.12 0.00 0.00 56.93 58.93 1gwq s PHE 337 Cb 0.00 0.41 -0.05 0.00 -0.57 0.00 0.00 43.02 42.82 1gwq s PHE 337 CO 0.03 -0.42 0.04 -1.54 -0.10 0.00 0.00 175.22 173.23 1gwq s SER 338 N 1.07 4.35 0.21 1.36 1.04 -1.26 -4.87 113.70 115.60 1gwq s SER 338 Ca -0.06 -0.88 -0.15 0.00 0.48 0.00 0.00 55.95 55.34 1gwq s SER 338 Cb -0.05 -0.62 0.23 0.00 0.10 0.00 0.00 66.02 65.67 1gwq s SER 338 CO -0.10 -0.21 1.61 -0.08 0.98 0.00 0.00 173.24 175.43 1gwq h GLU 339 N 1.76 -0.05 -0.59 4.02 4.81 -1.99 0.57 114.58 123.11 1gwq h GLU 339 Ca -0.43 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 58.75 1gwq h GLU 339 Cb 1.25 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.62 1gwq h GLU 339 CO 0.65 -0.03 0.18 0.00 -0.73 0.00 0.00 179.01 179.07 1gwq h ALA 340 N 1.49 0.78 -0.33 2.92 0.00 -1.91 -2.85 119.26 119.36 1gwq h ALA 340 Ca 0.30 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1gwq h ALA 340 Cb 0.52 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1gwq h ALA 340 CO -0.70 0.45 0.07 1.03 0.00 0.00 0.00 179.25 180.10 1gwq h SER 341 N 0.85 0.51 0.26 0.00 0.87 -1.29 -0.84 113.55 113.90 1gwq h SER 341 Ca 0.19 -0.24 -0.01 0.00 -1.23 0.00 0.00 61.79 60.49 1gwq h SER 341 Cb 0.30 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.13 1gwq h SER 341 CO -0.00 0.62 -0.13 -0.03 -0.53 0.00 0.00 176.83 176.76 1gwq h MET 342 N 0.37 -0.34 -0.97 2.24 -1.53 -1.04 -2.52 114.93 111.14 1gwq h MET 342 Ca 0.10 0.02 0.21 0.00 -3.44 0.00 0.00 59.70 56.60 1gwq h MET 342 Cb 0.32 0.08 -0.09 0.00 -0.55 0.00 0.00 31.60 31.36 1gwq h MET 342 CO 0.00 -0.03 0.62 0.52 0.14 0.00 0.00 176.91 178.16 1gwq h MET 343 N -0.65 0.52 -0.03 0.39 2.07 -1.53 0.58 114.93 116.28 1gwq h MET 343 Ca -0.04 -0.03 0.03 0.00 -2.07 0.00 0.00 59.70 57.60 1gwq h MET 343 Cb 0.46 -0.12 -0.04 0.00 -1.87 0.00 0.00 31.60 30.03 1gwq h MET 343 CO 0.06 0.34 -0.21 0.78 1.07 0.00 0.00 176.91 178.95 1gwq h GLY 344 N 0.53 -0.28 1.01 8.32 0.00 -0.79 -1.86 103.07 109.99 1gwq h GLY 344 Ca 0.53 0.25 -0.04 0.00 0.00 0.00 0.00 47.33 48.08 1gwq h GLY 344 CO -0.27 -0.19 0.25 1.41 0.00 0.00 0.00 176.54 177.74 1gwq h LEU 345 N -0.32 0.88 -0.24 3.11 3.38 -0.48 -0.70 115.31 120.94 1gwq h LEU 345 Ca 0.07 -0.18 -0.11 0.00 0.09 0.00 0.00 57.88 57.75 1gwq h LEU 345 Cb 0.42 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 1gwq h LEU 345 CO -0.21 0.81 -0.28 -0.07 0.09 0.00 0.00 178.44 178.78 1gwq h LEU 346 N 0.89 0.66 -0.90 1.67 3.38 -1.33 -1.35 115.31 118.32 1gwq h LEU 346 Ca 0.21 -0.49 -0.08 0.00 0.09 0.00 0.00 57.88 57.60 1gwq h LEU 346 Cb 0.22 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1gwq h LEU 346 CO -0.02 1.02 -0.09 0.74 0.09 0.00 0.00 178.44 180.18 1gwq h THR 347 N 0.31 1.25 -0.21 0.22 2.02 -1.37 0.51 112.91 115.64 1gwq h THR 347 Ca 0.03 -1.10 -0.17 0.00 0.77 0.00 0.00 66.41 65.94 1gwq h THR 347 Cb 0.85 1.04 -0.00 0.00 -1.74 0.00 0.00 68.15 68.30 1gwq h THR 347 CO 0.07 0.37 -0.56 -1.13 0.37 0.00 0.00 175.52 174.64 1gwq h ASN 348 N 0.65 0.73 -0.34 4.18 -1.24 -1.07 -0.67 115.58 117.81 1gwq h ASN 348 Ca 0.12 -0.40 -0.10 0.00 0.71 0.00 0.00 56.30 56.63 1gwq h ASN 348 Cb 0.54 -0.21 -0.01 0.00 0.73 0.00 0.00 38.32 39.37 1gwq h ASN 348 CO 0.03 1.14 -0.19 0.25 -1.29 0.00 0.00 177.43 177.37 1gwq h LEU 349 N 0.50 0.76 -0.13 0.34 5.85 -0.53 -2.88 115.31 119.22 1gwq h LEU 349 Ca 0.01 -0.42 0.01 0.00 0.84 0.00 0.00 57.88 58.32 1gwq h LEU 349 Cb 1.13 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.94 1gwq h LEU 349 CO 0.11 1.01 0.04 0.00 -0.34 0.00 0.00 178.44 179.27 1gwq h ALA 350 N 0.77 0.14 -0.61 1.25 0.00 0.17 0.13 119.26 121.11 1gwq h ALA 350 Ca 0.07 0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.05 1gwq h ALA 350 Cb 0.74 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.48 1gwq h ALA 350 CO 0.06 -0.41 0.32 0.22 0.00 0.00 0.00 179.25 179.44 1gwq h ASP 351 N 0.11 0.47 -0.35 0.00 3.58 -1.12 0.17 116.42 119.27 1gwq h ASP 351 Ca 0.05 0.03 -0.05 0.00 0.42 0.00 0.00 57.03 57.49 1gwq h ASP 351 Cb 0.03 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.01 1gwq h ASP 351 CO -0.05 0.31 0.04 0.03 -2.88 0.00 0.00 179.24 176.68 1gwq h ARG 352 N 0.60 0.60 -0.79 0.28 3.08 -1.25 -2.76 114.38 114.13 1gwq h ARG 352 Ca 0.27 -0.17 0.02 0.00 0.07 0.00 0.00 59.98 60.17 1gwq h ARG 352 Cb 0.18 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.13 1gwq h ARG 352 CO -0.18 0.69 0.52 0.93 -1.07 0.00 0.00 179.97 180.86 1gwq h GLU 353 N 0.43 1.01 -0.83 0.04 5.08 -0.18 -1.97 114.58 118.16 1gwq h GLU 353 Ca 0.10 -0.06 0.09 0.00 -1.00 0.00 0.00 59.36 58.50 1gwq h GLU 353 Cb 0.39 -0.23 -0.07 0.00 0.50 0.00 0.00 28.75 29.34 1gwq h GLU 353 CO 0.01 0.67 0.48 -0.07 -1.00 0.00 0.00 179.01 179.10 1gwq h LEU 354 N 1.04 0.69 -0.59 1.33 3.38 -0.40 0.77 115.31 121.54 1gwq h LEU 354 Ca 0.30 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.31 1gwq h LEU 354 Cb -0.08 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 1gwq h LEU 354 CO -0.07 0.40 0.36 0.58 0.09 0.00 0.00 178.44 179.80 1gwq h VAL 355 N 0.81 1.17 0.00 1.22 2.07 -1.27 -0.82 116.25 119.43 1gwq h VAL 355 Ca 0.40 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 1gwq h VAL 355 Cb 0.35 0.36 -0.00 0.00 -1.52 0.00 0.00 31.29 30.48 1gwq h VAL 355 CO -0.24 0.18 -0.05 0.45 0.02 0.00 0.00 177.57 177.93 1gwq h HIS 356 N 0.79 0.00 -0.15 1.57 3.86 -1.22 -2.60 115.15 117.40 1gwq h HIS 356 Ca 0.21 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.31 1gwq h HIS 356 Cb -0.03 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.43 1gwq h HIS 356 CO -0.02 0.05 -0.39 1.98 0.86 0.00 0.00 177.93 180.40 1gwq h MET 357 N 0.00 0.33 -0.64 2.45 -1.53 0.46 0.11 114.93 116.10 1gwq h MET 357 Ca -0.00 -0.15 -0.03 0.00 -3.44 0.00 0.00 59.70 56.07 1gwq h MET 357 Cb 0.69 -0.00 -0.03 0.00 -0.55 0.00 0.00 31.60 31.71 1gwq h MET 357 CO 0.01 0.67 0.27 0.82 0.14 0.00 0.00 176.91 178.82 1gwq h ILE 358 N 0.28 1.23 0.00 1.77 2.04 -0.84 0.22 117.51 122.20 1gwq h ILE 358 Ca 0.03 -0.70 -0.13 0.00 1.00 0.00 0.00 64.86 65.06 1gwq h ILE 358 Cb 0.82 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 37.38 1gwq h ILE 358 CO 0.07 0.28 -0.61 0.78 0.00 0.00 0.00 178.15 178.66 1gwq h ASN 359 N 0.89 0.00 -0.43 1.72 2.35 -1.45 -2.85 115.58 115.81 1gwq h ASN 359 Ca 0.22 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.89 1gwq h ASN 359 Cb 0.18 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.53 1gwq h ASN 359 CO -0.02 0.61 -0.03 -0.25 -1.65 0.00 0.00 177.43 176.09 1gwq h TRP 360 N 0.00 0.86 -0.70 1.19 7.01 -0.19 -2.99 115.95 121.12 1gwq h TRP 360 Ca -0.01 -0.16 0.13 0.00 2.11 0.00 0.00 58.89 60.96 1gwq h TRP 360 Cb 1.35 -0.22 -0.09 0.00 -2.10 0.00 0.00 29.16 28.10 1gwq h TRP 360 CO 0.00 0.85 0.25 0.00 -2.79 0.00 0.00 178.44 176.75 1gwq h ALA 361 N 0.89 0.94 0.00 2.65 0.00 -0.85 0.17 119.26 123.05 1gwq h ALA 361 Ca 0.12 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1gwq h ALA 361 Cb 0.53 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1gwq h ALA 361 CO 0.03 -0.23 0.00 1.63 0.00 0.00 0.00 179.25 180.67 1gwq n LYS 362 N -5.04 0.11 -0.14 0.00 5.02 -1.09 -1.52 118.16 115.51 1gwq n LYS 362 Ca 0.12 0.47 0.09 0.00 -2.02 0.00 0.00 58.31 56.97 1gwq n LYS 362 Cb 0.38 -1.77 0.16 0.00 -0.02 0.00 0.00 35.03 33.77 1gwq n LYS 362 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1gwq n ARG 363 N -1.99 2.12 -2.74 1.97 1.74 0.58 -4.66 116.66 113.68 1gwq n ARG 363 Ca 0.01 -1.95 -0.42 0.00 -0.77 0.00 0.00 57.85 54.72 1gwq n ARG 363 Cb 0.12 -1.37 -0.03 0.00 -1.02 0.00 0.00 32.46 30.16 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 -1.20 4.80 -0.01 1.55 1.01 -0.57 -4.84 120.40 121.13 1gwq s VAL 364 Ca 0.28 1.93 -0.37 0.00 0.00 0.00 0.00 61.98 63.82 1gwq s VAL 364 Cb 0.16 -4.26 -0.16 0.00 0.00 0.00 0.00 36.38 32.12 1gwq s VAL 364 CO 0.23 -0.00 1.48 -2.65 0.00 0.00 0.00 175.10 174.16 1gwq n PRO 365 N 5.17 1.24 0.00 2.72 -0.02 -1.26 -1.99 135.00 140.86 1gwq n PRO 365 Ca 0.08 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 1gwq n PRO 365 Cb 0.48 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 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 3.09 3.40 0.28 -1.23 0.00 -1.26 -4.91 105.19 104.56 1gwq n GLY 366 Ca 0.21 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.15 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 0.93 0.00 1.61 3.57 -1.69 -3.06 116.94 118.29 1gwq h PHE 367 Ca 0.00 -0.19 0.00 0.00 3.53 0.00 0.00 57.97 61.31 1gwq h PHE 367 Cb 0.00 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 38.51 1gwq h PHE 367 CO 0.00 0.92 0.00 -0.24 -2.23 0.00 0.00 178.31 176.76 1gwq h VAL 368 N 0.74 0.00 -0.09 1.41 3.04 -1.83 -2.96 116.25 116.57 1gwq h VAL 368 Ca 0.12 -0.35 -0.12 0.00 -1.01 0.00 0.00 66.70 65.33 1gwq h VAL 368 Cb 0.66 1.20 -0.01 0.00 -2.01 0.00 0.00 31.29 31.13 1gwq h VAL 368 CO 0.05 0.00 -0.50 0.44 -1.01 0.00 0.00 177.57 176.55 1gwq h ASP 369 N 0.00 0.24 -3.50 3.17 3.32 -1.93 -3.45 116.42 114.27 1gwq h ASP 369 Ca 0.00 -0.12 -0.45 0.00 0.02 0.00 0.00 57.03 56.48 1gwq h ASP 369 Cb 0.52 -0.07 0.20 0.00 0.22 0.00 0.00 39.33 40.20 1gwq h ASP 369 CO 0.00 0.70 0.07 -0.76 -1.72 0.00 0.00 179.24 177.53 1gwq s LEU 370 N -8.08 1.24 0.50 1.55 1.43 -1.12 -4.98 118.68 109.21 1gwq s LEU 370 Ca -0.04 1.59 -0.19 0.00 -1.03 0.00 0.00 54.13 54.46 1gwq s LEU 370 Cb 0.13 -3.61 -0.08 0.00 0.03 0.00 0.00 46.19 42.66 1gwq s LEU 370 CO 0.78 -3.90 1.01 0.42 0.23 0.00 0.00 176.35 174.89 1gwq s THR 371 N -2.55 4.09 0.21 5.49 -4.23 -1.26 -4.86 115.64 112.54 1gwq s THR 371 Ca 0.68 1.17 -0.10 0.00 -1.18 0.00 0.00 61.69 62.26 1gwq s THR 371 Cb -0.24 -3.53 0.18 0.00 1.34 0.00 0.00 72.50 70.25 1gwq s THR 371 CO 0.63 -0.41 1.69 0.25 -0.54 0.00 0.00 174.62 176.23 1gwq h LEU 372 N 1.27 -0.09 -0.83 4.79 5.85 -1.93 0.73 115.31 125.09 1gwq h LEU 372 Ca -0.48 0.13 0.09 0.00 0.84 0.00 0.00 57.88 58.46 1gwq h LEU 372 Cb 1.20 0.19 -0.07 0.00 0.37 0.00 0.00 40.66 42.35 1gwq h LEU 372 CO 0.60 -0.04 0.48 -0.74 -0.34 0.00 0.00 178.44 178.40 1gwq h HIS 373 N 0.21 0.87 -0.22 1.25 2.76 -1.99 0.50 115.15 118.54 1gwq h HIS 373 Ca 0.32 0.03 -0.18 0.00 -2.20 0.00 0.00 60.37 58.34 1gwq h HIS 373 Cb 0.51 -0.27 -0.00 0.00 1.55 0.00 0.00 27.41 29.20 1gwq h HIS 373 CO -0.29 0.36 -0.60 -0.44 -1.30 0.00 0.00 177.93 175.67 1gwq h ASP 374 N 0.81 0.82 -0.85 3.26 3.32 -1.46 -1.21 116.42 121.12 1gwq h ASP 374 Ca 0.40 -0.46 0.01 0.00 0.02 0.00 0.00 57.03 56.99 1gwq h ASP 374 Cb 0.36 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.63 1gwq h ASP 374 CO -0.24 1.23 0.55 1.56 -1.72 0.00 0.00 179.24 180.62 1gwq h GLN 375 N 0.55 1.13 -0.35 3.56 4.20 -0.04 0.17 115.11 124.33 1gwq h GLN 375 Ca -0.00 -0.08 -0.02 0.00 0.06 0.00 0.00 58.65 58.61 1gwq h GLN 375 Cb 1.19 -0.25 -0.02 0.00 0.30 0.00 0.00 27.48 28.70 1gwq h GLN 375 CO 0.12 0.76 0.13 0.28 -0.67 0.00 0.00 178.83 179.45 1gwq h VAL 376 N 1.16 1.20 -0.49 -0.54 2.07 0.22 -2.38 116.25 117.48 1gwq h VAL 376 Ca 0.31 -0.61 0.02 0.00 0.82 0.00 0.00 66.70 67.24 1gwq h VAL 376 Cb -0.11 0.94 -0.03 0.00 -1.52 0.00 0.00 31.29 30.57 1gwq h VAL 376 CO -0.06 0.21 0.30 -0.74 0.02 0.00 0.00 177.57 177.30 1gwq h HIS 377 N 0.42 0.57 -0.20 1.57 -0.00 0.06 -1.07 115.15 116.50 1gwq h HIS 377 Ca 0.12 0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 60.50 1gwq h HIS 377 Cb 0.21 -0.19 -0.01 0.00 -0.00 0.00 0.00 27.41 27.42 1gwq h HIS 377 CO 0.00 0.33 0.11 -0.07 -0.00 0.00 0.00 177.93 178.31 1gwq h LEU 378 N 0.61 0.24 -0.75 0.26 3.38 -0.88 -0.67 115.31 117.51 1gwq h LEU 378 Ca 0.19 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 1gwq h LEU 378 Cb -0.00 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 1gwq h LEU 378 CO -0.08 0.25 0.31 -0.07 0.09 0.00 0.00 178.44 178.95 1gwq h LEU 379 N 0.22 1.01 -0.55 1.67 3.38 -1.35 -1.77 115.31 117.93 1gwq h LEU 379 Ca 0.07 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1gwq h LEU 379 Cb 0.06 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 1gwq h LEU 379 CO -0.01 0.90 0.31 -0.33 0.09 0.00 0.00 178.44 179.40 1gwq h GLU 380 N 1.07 0.76 -0.03 1.13 5.08 -0.73 -1.84 114.58 120.03 1gwq h GLU 380 Ca 0.25 -0.08 -0.14 0.00 -1.00 0.00 0.00 59.36 58.38 1gwq h GLU 380 Cb 0.19 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 1gwq h GLU 380 CO -0.02 0.58 -0.63 0.00 -1.00 0.00 0.00 179.01 177.93 1gwq n ALA 382 N -2.44 4.16 -0.27 0.00 0.00 -0.69 -4.73 120.51 116.54 1gwq n ALA 382 Ca -0.02 -0.48 0.07 0.00 0.00 0.00 0.00 53.44 53.02 1gwq n ALA 382 Cb 0.63 -0.61 0.19 0.00 0.00 0.00 0.00 19.45 19.66 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 0.00 0.02 -0.37 0.00 5.08 -1.52 -0.22 115.95 118.95 1gwq h TRP 383 Ca 0.00 0.06 -0.04 0.00 1.08 0.00 0.00 58.89 59.98 1gwq h TRP 383 Cb 0.41 0.12 -0.01 0.00 -3.00 0.00 0.00 29.16 26.68 1gwq h TRP 383 CO 0.00 -0.24 0.07 1.25 -1.28 0.00 0.00 178.44 178.23 1gwq h LEU 384 N 0.12 0.58 -1.65 0.11 5.85 -1.88 -1.21 115.31 117.22 1gwq h LEU 384 Ca 0.45 -0.25 -0.02 0.00 0.84 0.00 0.00 57.88 58.90 1gwq h LEU 384 Cb 0.82 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.69 1gwq h LEU 384 CO -0.68 0.68 0.04 -0.33 -0.34 0.00 0.00 178.44 177.81 1gwq h GLU 385 N 0.45 0.25 -0.02 1.25 5.08 -1.61 0.32 114.58 120.30 1gwq h GLU 385 Ca 0.11 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1gwq h GLU 385 Cb 0.35 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 1gwq h GLU 385 CO 0.01 0.25 -0.01 0.82 -1.00 0.00 0.00 179.01 179.08 1gwq h ILE 386 N 0.25 1.30 -0.75 3.13 1.08 -0.19 0.16 117.51 122.49 1gwq h ILE 386 Ca 0.06 -0.90 -0.04 0.00 -0.39 0.00 0.00 64.86 63.60 1gwq h ILE 386 Cb 0.12 1.86 -0.03 0.00 -3.07 0.00 0.00 36.82 35.70 1gwq h ILE 386 CO -0.00 0.24 0.33 -0.07 -0.69 0.00 0.00 178.15 177.96 1gwq h LEU 387 N -0.32 1.01 -0.62 1.44 3.38 -0.81 -2.57 115.31 116.83 1gwq h LEU 387 Ca 0.01 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 57.77 1gwq h LEU 387 Cb 0.39 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 1gwq h LEU 387 CO 0.00 0.88 0.17 0.24 0.09 0.00 0.00 178.44 179.82 1gwq h MET 388 N 1.07 0.97 0.00 1.13 2.86 -0.18 -1.00 114.93 119.78 1gwq h MET 388 Ca 0.25 -0.22 -0.09 0.00 -2.06 0.00 0.00 59.70 57.58 1gwq h MET 388 Cb 0.16 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 1gwq h MET 388 CO -0.03 0.88 -0.45 0.97 1.06 0.00 0.00 176.91 179.34 1gwq h ILE 389 N 0.89 1.30 -0.04 -1.22 2.10 -0.43 -1.30 117.51 118.81 1gwq h ILE 389 Ca 0.20 -1.54 -0.14 0.00 1.08 0.00 0.00 64.86 64.45 1gwq h ILE 389 Cb 0.33 1.84 -0.01 0.00 -1.09 0.00 0.00 36.82 37.88 1gwq h ILE 389 CO -0.00 0.44 -0.63 1.23 -1.08 0.00 0.00 178.15 178.11 1gwq h GLY 390 N 1.39 0.18 0.79 8.18 0.00 -1.19 -2.18 103.07 110.24 1gwq h GLY 390 Ca -0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 47.33 47.08 1gwq h GLY 390 CO 0.06 0.21 -0.07 -2.00 0.00 0.00 0.00 176.54 174.74 1gwq h LEU 391 N 0.12 -0.16 -1.49 3.11 5.85 -0.77 -1.80 115.31 120.18 1gwq h LEU 391 Ca -0.01 -0.17 0.06 0.00 0.84 0.00 0.00 57.88 58.60 1gwq h LEU 391 Cb 1.13 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 42.16 1gwq h LEU 391 CO 0.09 0.08 0.41 0.58 -0.34 0.00 0.00 178.44 179.27 1gwq h VAL 392 N -0.40 1.01 0.55 1.05 2.07 -1.17 0.53 116.25 119.89 1gwq h VAL 392 Ca -0.02 -0.22 -0.03 0.00 0.82 0.00 0.00 66.70 67.26 1gwq h VAL 392 Cb 0.32 0.33 0.01 0.00 -1.52 0.00 0.00 31.29 30.42 1gwq h VAL 392 CO 0.03 0.11 -0.27 -0.25 0.02 0.00 0.00 177.57 177.22 1gwq h TRP 393 N 0.63 -0.69 -0.31 1.57 2.91 -1.26 -2.03 115.95 116.77 1gwq h TRP 393 Ca 0.27 -0.02 0.02 0.00 1.13 0.00 0.00 58.89 60.29 1gwq h TRP 393 Cb 0.25 0.23 -0.02 0.00 -0.51 0.00 0.00 29.16 29.11 1gwq h TRP 393 CO -0.00 -0.37 0.21 0.00 -1.03 0.00 0.00 178.44 177.24 1gwq h ARG 394 N -0.91 0.33 -0.00 2.65 3.08 -0.78 -2.40 114.38 116.36 1gwq h ARG 394 Ca -0.08 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.95 1gwq h ARG 394 Cb 0.63 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.60 1gwq h ARG 394 CO 0.12 0.22 -0.28 0.43 -1.07 0.00 0.00 179.97 179.40 1gwq n SER 395 N -4.49 0.42 -0.28 7.04 7.64 0.13 -4.53 113.62 119.55 1gwq n SER 395 Ca 0.02 -0.19 0.10 0.00 1.01 0.00 0.00 58.87 59.81 1gwq n SER 395 Cb 0.13 -0.01 0.25 0.00 -1.01 0.00 0.00 64.21 63.57 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 0.23 0.26 -0.78 1.43 2.86 -0.83 -1.11 114.93 116.98 1gwq h MET 396 Ca 0.00 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 1gwq h MET 396 Cb 0.47 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 32.07 1gwq h MET 396 CO 0.00 0.17 0.01 -0.85 1.06 0.00 0.00 176.91 177.30 1gwq n GLU 397 N -5.17 3.05 -3.24 1.72 0.28 -1.26 -4.39 120.64 111.62 1gwq n GLU 397 Ca 0.19 -1.67 -0.25 0.00 -0.16 0.00 0.00 57.16 55.27 1gwq n GLU 397 Cb 0.59 -1.90 -0.07 0.00 1.43 0.00 0.00 31.44 31.49 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 0.32 0.64 -1.61 -1.84 8.25 -0.42 -5.10 115.22 115.46 1gwq n HIS 398 Ca 0.15 -3.71 -0.55 0.00 -0.26 0.00 0.00 57.72 53.35 1gwq n HIS 398 Cb 0.76 -0.40 -0.07 0.00 1.12 0.00 0.00 29.99 31.40 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 1.25 0.90 0.00 -0.41 -0.02 -1.26 -0.19 135.00 135.26 1gwq n PRO 399 Ca 0.23 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 1gwq n PRO 399 Cb 0.50 -1.95 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 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 2.77 2.56 3.51 -1.23 0.00 -1.26 -5.00 105.19 106.54 1gwq n GLY 400 Ca 0.21 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.34 1.75 -0.25 1.61 1.02 0.73 -2.65 119.74 121.62 1gwq s LYS 401 Ca 0.00 -1.84 0.01 0.00 0.02 0.00 0.00 55.97 54.16 1gwq s LYS 401 Cb 0.00 -1.75 0.04 0.00 -0.52 0.00 0.00 37.83 35.61 1gwq s LYS 401 CO 0.00 0.24 -0.10 -0.51 -0.92 0.00 0.00 175.35 174.06 1gwq s LEU 402 N -3.56 3.19 -1.08 3.17 1.43 -0.81 -4.80 118.68 116.22 1gwq s LEU 402 Ca 0.31 -1.11 -0.19 0.00 -1.03 0.00 0.00 54.13 52.11 1gwq s LEU 402 Cb -0.02 -1.58 0.10 0.00 0.03 0.00 0.00 46.19 44.72 1gwq s LEU 402 CO 0.16 -0.15 1.40 -0.22 0.23 0.00 0.00 176.35 177.77 1gwq s LEU 403 N 1.21 4.35 0.31 1.79 2.96 -1.26 -1.79 118.68 126.25 1gwq s LEU 403 Ca -0.04 -2.12 0.01 0.00 -0.22 0.00 0.00 54.13 51.76 1gwq s LEU 403 Cb -0.18 -2.49 0.51 0.00 0.50 0.00 0.00 46.19 44.54 1gwq s LEU 403 CO -0.06 -1.16 1.90 -0.26 -1.32 0.00 0.00 176.35 175.45 1gwq h PHE 404 N 8.57 0.79 -2.75 5.38 0.04 -1.77 -3.42 116.94 123.79 1gwq h PHE 404 Ca 0.26 -0.04 -0.03 0.00 2.80 0.00 0.00 57.97 60.96 1gwq h PHE 404 Cb 0.96 -0.25 -0.14 0.00 2.20 0.00 0.00 35.95 38.73 1gwq h PHE 404 CO 1.24 0.61 0.21 0.00 -0.60 0.00 0.00 178.31 179.77 1gwq s ALA 405 N -5.38 -1.65 0.32 2.45 0.00 -1.18 -4.99 121.76 111.33 1gwq s ALA 405 Ca -0.10 0.70 0.10 0.00 0.00 0.00 0.00 51.96 52.66 1gwq s ALA 405 Cb 0.16 0.67 0.95 0.00 0.00 0.00 0.00 23.12 24.91 1gwq s ALA 405 CO 0.78 -0.67 1.67 -1.35 0.00 0.00 0.00 175.76 176.19 1gwq h PRO 406 N 2.23 0.32 -0.96 0.00 0.11 -1.88 0.49 132.00 132.30 1gwq h PRO 406 Ca -0.32 -0.02 -0.47 0.00 0.11 0.00 0.00 66.00 65.30 1gwq h PRO 406 Cb 1.27 -0.07 -0.28 0.00 0.11 0.00 0.00 31.00 32.02 1gwq h PRO 406 CO 0.38 0.21 0.60 0.27 -0.21 0.00 0.00 178.00 179.25 1gwq n ASN 407 N -5.08 3.91 -2.83 -2.05 6.94 -1.26 -4.68 115.26 110.22 1gwq n ASN 407 Ca 0.28 -3.55 -0.09 0.00 -0.02 0.00 0.00 54.58 51.20 1gwq n ASN 407 Cb 0.87 -0.83 0.02 0.00 -2.36 0.00 0.00 39.78 37.48 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 -1.00 -2.72 -4.44 -4.53 7.94 0.17 -4.78 117.00 107.64 1gwq n LEU 408 Ca 0.57 -3.34 -0.43 0.00 -1.11 0.00 0.00 56.01 51.69 1gwq n LEU 408 Cb 1.64 0.78 -0.10 0.00 0.53 0.00 0.00 43.42 46.27 1gwq n LEU 408 CO 0.58 1.98 -0.05 -0.22 -1.11 0.00 0.00 177.39 178.57 1gwq s LEU 409 N -0.12 5.21 0.06 -1.96 2.96 -1.26 -1.99 118.68 121.58 1gwq s LEU 409 Ca 0.32 -0.99 -0.08 0.00 -0.22 0.00 0.00 54.13 53.15 1gwq s LEU 409 Cb 0.13 -2.16 -0.05 0.00 0.50 0.00 0.00 46.19 44.61 1gwq s LEU 409 CO -0.16 -0.49 0.35 -0.76 -1.32 0.00 0.00 176.35 173.97 1gwq s LEU 410 N 1.67 4.35 0.30 -0.68 1.43 -0.74 -4.94 118.68 120.07 1gwq s LEU 410 Ca 0.05 0.68 -0.11 0.00 -1.03 0.00 0.00 54.13 53.72 1gwq s LEU 410 Cb -0.20 -2.90 -0.07 0.00 0.03 0.00 0.00 46.19 43.05 1gwq s LEU 410 CO 0.09 0.19 0.65 -0.62 0.23 0.00 0.00 176.35 176.89 1gwq s ASP 411 N -1.80 6.62 0.15 2.29 3.68 -1.26 -1.92 116.67 124.44 1gwq s ASP 411 Ca 0.32 1.04 -0.21 0.00 2.13 0.00 0.00 52.55 55.82 1gwq s ASP 411 Cb -0.13 -2.28 0.04 0.00 -1.45 0.00 0.00 42.92 39.10 1gwq s ASP 411 CO 0.18 -0.19 1.64 -0.09 0.13 0.00 0.00 175.17 176.83 1gwq h ARG 412 N 2.09 -0.19 -0.91 4.34 1.12 -1.90 -0.48 114.38 118.45 1gwq h ARG 412 Ca -0.47 0.01 0.12 0.00 -1.11 0.00 0.00 59.98 58.53 1gwq h ARG 412 Cb 1.18 0.04 -0.07 0.00 -0.01 0.00 0.00 29.97 31.11 1gwq h ARG 412 CO 0.67 -0.12 0.58 -0.91 -3.11 0.00 0.00 179.97 177.07 1gwq h ASN 413 N -0.19 0.75 -0.06 -3.80 2.35 -1.94 -0.26 115.58 112.43 1gwq h ASN 413 Ca 0.15 0.03 0.02 0.00 -0.55 0.00 0.00 56.30 55.95 1gwq h ASN 413 Cb 0.42 -0.12 -0.00 0.00 0.05 0.00 0.00 38.32 38.67 1gwq h ASN 413 CO -0.39 0.41 0.21 1.56 -1.65 0.00 0.00 177.43 177.57 1gwq h GLN 414 N 0.81 0.00 0.00 0.81 4.20 -1.46 0.24 115.11 119.72 1gwq h GLN 414 Ca 0.44 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 59.09 1gwq h GLN 414 Cb 0.56 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.33 1gwq h GLN 414 CO -0.20 0.00 -0.30 0.78 -0.67 0.00 0.00 178.83 178.44 1gwq h GLY 415 N 0.00 0.00 2.00 3.46 0.00 -1.01 -2.66 103.07 104.86 1gwq h GLY 415 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.36 1gwq h GLY 415 CO -0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.54 177.04 1gwq h LYS 416 N 0.00 0.00 0.00 4.80 1.57 -0.64 -1.62 116.57 120.68 1gwq h LYS 416 Ca -0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1gwq h LYS 416 Cb 0.64 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.95 1gwq h LYS 416 CO 0.04 0.00 -0.05 0.00 -0.57 0.00 0.00 179.45 178.87 1gwq s VAL 418 N -4.10 3.58 -0.04 0.00 1.01 -0.61 -3.88 120.40 116.35 1gwq s VAL 418 Ca -0.03 -0.50 -0.30 0.00 0.00 0.00 0.00 61.98 61.16 1gwq s VAL 418 Cb 0.12 -2.50 -0.06 0.00 0.00 0.00 0.00 36.38 33.94 1gwq s VAL 418 CO 0.52 0.55 1.64 -0.70 0.00 0.00 0.00 175.10 177.11 1gwq s GLU 419 N -0.21 4.19 0.00 2.72 2.56 -1.26 -2.45 118.70 124.25 1gwq s GLU 419 Ca 0.02 2.18 0.00 0.00 0.00 0.00 0.00 54.97 57.18 1gwq s GLU 419 Cb -0.13 -3.94 0.00 0.00 2.00 0.00 0.00 34.13 32.06 1gwq s GLU 419 CO 0.03 -0.82 0.00 0.41 -0.56 0.00 0.00 175.26 174.31 1gwq n GLY 420 N 4.09 1.08 0.11 -1.50 0.00 -1.26 -4.95 105.19 102.76 1gwq n GLY 420 Ca 0.17 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.03 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 3.40 0.28 -0.96 1.61 4.05 -1.67 -3.36 114.93 118.28 1gwq h MET 421 Ca 0.00 -0.48 0.16 0.00 -0.28 0.00 0.00 59.70 59.10 1gwq h MET 421 Cb 0.00 0.18 -0.10 0.00 -0.80 0.00 0.00 31.60 30.88 1gwq h MET 421 CO 0.00 1.23 0.56 0.28 0.23 0.00 0.00 176.91 179.21 1gwq h VAL 422 N 0.08 0.77 -0.82 -5.77 2.07 -1.76 0.13 116.25 110.95 1gwq h VAL 422 Ca -0.14 -0.27 -0.03 0.00 0.82 0.00 0.00 66.70 67.09 1gwq h VAL 422 Cb 1.98 -0.08 -0.04 0.00 -1.52 0.00 0.00 31.29 31.63 1gwq h VAL 422 CO 0.21 0.14 0.41 -0.33 0.02 0.00 0.00 177.57 178.02 1gwq h GLU 423 N 0.78 1.17 -0.12 1.57 3.07 -1.95 -0.90 114.58 118.19 1gwq h GLU 423 Ca 0.52 -0.16 -0.01 0.00 -0.50 0.00 0.00 59.36 59.21 1gwq h GLU 423 Cb 0.72 -0.22 -0.01 0.00 -0.84 0.00 0.00 28.75 28.41 1gwq h GLU 423 CO -0.35 0.89 0.03 0.82 -1.40 0.00 0.00 179.01 179.00 1gwq h ILE 424 N 1.15 1.19 -0.55 3.13 1.08 -1.15 -2.38 117.51 119.98 1gwq h ILE 424 Ca 0.28 -0.60 0.08 0.00 -0.39 0.00 0.00 64.86 64.23 1gwq h ILE 424 Cb 0.09 1.36 -0.07 0.00 -3.07 0.00 0.00 36.82 35.14 1gwq h ILE 424 CO -0.04 0.18 0.19 -0.26 -0.69 0.00 0.00 178.15 177.53 1gwq h PHE 425 N 0.00 0.34 -0.69 1.37 -1.00 -0.34 -0.22 116.94 116.40 1gwq h PHE 425 Ca 0.04 0.03 0.07 0.00 2.81 0.00 0.00 57.97 60.92 1gwq h PHE 425 Cb 0.25 -0.07 -0.06 0.00 3.61 0.00 0.00 35.95 39.68 1gwq h PHE 425 CO 0.01 0.09 0.36 -0.44 -1.61 0.00 0.00 178.31 176.72 1gwq h ASP 426 N 0.37 0.51 -0.24 2.17 3.32 -1.02 0.91 116.42 122.44 1gwq h ASP 426 Ca 0.27 0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.33 1gwq h ASP 426 Cb 0.32 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 1gwq h ASP 426 CO -0.28 0.32 0.02 0.24 -1.72 0.00 0.00 179.24 177.82 1gwq h MET 427 N 0.65 0.41 -0.52 3.56 2.86 -0.87 -1.49 114.93 119.54 1gwq h MET 427 Ca 0.32 -0.12 0.07 0.00 -2.06 0.00 0.00 59.70 57.91 1gwq h MET 427 Cb 0.26 -0.04 -0.06 0.00 0.06 0.00 0.00 31.60 31.82 1gwq h MET 427 CO -0.22 0.57 0.21 -0.07 1.06 0.00 0.00 176.91 178.45 1gwq h LEU 428 N 0.20 0.24 -1.06 1.22 3.38 0.44 0.20 115.31 119.92 1gwq h LEU 428 Ca 0.07 0.05 -0.07 0.00 0.09 0.00 0.00 57.88 58.03 1gwq h LEU 428 Cb 0.36 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 1gwq h LEU 428 CO 0.01 0.16 -0.04 -0.07 0.09 0.00 0.00 178.44 178.59 1gwq h LEU 429 N 0.40 0.59 -0.32 1.67 3.38 1.00 -1.94 115.31 120.08 1gwq h LEU 429 Ca 0.25 -0.14 -0.07 0.00 0.09 0.00 0.00 57.88 58.01 1gwq h LEU 429 Cb 0.24 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1gwq h LEU 429 CO -0.23 0.69 -0.08 0.00 0.09 0.00 0.00 178.44 178.91 1gwq h ALA 430 N 1.38 0.45 -0.36 1.53 0.00 -0.65 0.71 119.26 122.32 1gwq h ALA 430 Ca 0.11 -0.29 0.04 0.00 0.00 0.00 0.00 54.91 54.77 1gwq h ALA 430 Cb 0.43 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 1gwq h ALA 430 CO 0.02 0.29 0.12 1.15 0.00 0.00 0.00 179.25 180.82 1gwq h THR 431 N 0.40 0.88 -0.80 0.00 2.02 -0.35 0.23 112.91 115.29 1gwq h THR 431 Ca 0.08 -0.09 0.07 0.00 0.77 0.00 0.00 66.41 67.24 1gwq h THR 431 Cb 0.58 0.60 -0.06 0.00 -1.74 0.00 0.00 68.15 67.53 1gwq h THR 431 CO 0.03 0.05 0.48 -1.28 0.37 0.00 0.00 175.52 175.17 1gwq h SER 432 N 0.26 0.74 -0.24 4.18 0.87 -0.98 0.55 113.55 118.92 1gwq h SER 432 Ca 0.17 0.02 -0.06 0.00 -1.23 0.00 0.00 61.79 60.69 1gwq h SER 432 Cb 0.15 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 61.98 1gwq h SER 432 CO -0.18 0.47 -0.08 0.28 -0.53 0.00 0.00 176.83 176.79 1gwq h SER 433 N 0.87 0.49 -0.87 6.23 0.02 -0.01 -2.20 113.55 118.07 1gwq h SER 433 Ca 0.36 -0.38 0.08 0.00 -0.84 0.00 0.00 61.79 61.01 1gwq h SER 433 Cb 0.20 -0.13 -0.07 0.00 0.14 0.00 0.00 62.40 62.54 1gwq h SER 433 CO -0.18 0.76 0.53 -0.09 -1.14 0.00 0.00 176.83 176.70 1gwq h ARG 434 N 0.21 0.88 -0.27 3.45 9.65 0.05 0.48 114.38 128.84 1gwq h ARG 434 Ca 0.06 -0.05 -0.04 0.00 -1.10 0.00 0.00 59.98 58.85 1gwq h ARG 434 Cb 0.55 -0.20 -0.02 0.00 -1.39 0.00 0.00 29.97 28.92 1gwq h ARG 434 CO 0.03 0.59 0.00 0.74 2.80 0.00 0.00 179.97 184.12 1gwq h PHE 435 N 0.91 0.42 -0.51 2.20 0.04 -0.67 -1.89 116.94 117.44 1gwq h PHE 435 Ca 0.40 -0.03 -0.10 0.00 2.80 0.00 0.00 57.97 61.03 1gwq h PHE 435 Cb 0.29 -0.13 -0.02 0.00 2.20 0.00 0.00 35.95 38.29 1gwq h PHE 435 CO -0.04 0.42 -0.09 -0.09 -0.60 0.00 0.00 178.31 177.91 1gwq h ARG 436 N 0.40 0.96 -0.60 1.51 2.43 -0.44 -2.22 114.38 116.42 1gwq h ARG 436 Ca 0.09 -0.35 -0.07 0.00 -0.81 0.00 0.00 59.98 58.83 1gwq h ARG 436 Cb 0.27 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.73 1gwq h ARG 436 CO 0.01 1.02 0.07 0.52 -1.51 0.00 0.00 179.97 180.08 1gwq h MET 437 N 0.83 0.98 0.00 0.20 2.86 -0.47 -2.66 114.93 116.66 1gwq h MET 437 Ca 0.13 -0.26 0.00 0.00 -2.06 0.00 0.00 59.70 57.52 1gwq h MET 437 Cb 0.65 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.19 1gwq h MET 437 CO 0.04 0.92 0.00 -1.33 1.06 0.00 0.00 176.91 177.60 1gwq n MET 438 N -4.22 0.08 -3.17 1.72 2.81 -0.76 -4.91 117.12 108.68 1gwq n MET 438 Ca 0.04 0.09 -0.15 0.00 -1.81 0.00 0.00 57.70 55.87 1gwq n MET 438 Cb 0.29 -1.60 0.06 0.00 -0.71 0.00 0.00 33.22 31.27 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 -1.74 -3.31 -4.68 7.83 4.05 -0.87 -4.86 115.26 111.69 1gwq n ASN 439 Ca 0.06 -0.44 -0.49 0.00 0.45 0.00 0.00 54.58 54.16 1gwq n ASN 439 Cb 0.35 -3.93 -0.05 0.00 1.23 0.00 0.00 39.78 37.38 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 -3.54 3.10 -4.87 1.20 7.94 -0.98 -4.97 117.00 114.87 1gwq n LEU 440 Ca -0.13 1.02 -0.31 0.00 -1.11 0.00 0.00 56.01 55.48 1gwq n LEU 440 Cb 0.59 -1.34 -0.05 0.00 0.53 0.00 0.00 43.42 43.16 1gwq n LEU 440 CO 0.47 -0.22 0.33 -1.10 -1.11 0.00 0.00 177.39 175.76 1gwq s GLN 441 N 3.05 3.83 0.29 1.96 -1.52 -1.26 -4.94 119.66 121.07 1gwq s GLN 441 Ca 0.90 0.40 -0.02 0.00 -1.95 0.00 0.00 55.36 54.69 1gwq s GLN 441 Cb -0.76 -2.52 0.42 0.00 -0.22 0.00 0.00 33.01 29.94 1gwq s GLN 441 CO 0.50 0.16 1.91 0.78 -0.25 0.00 0.00 175.29 178.40 1gwq h GLY 442 N 1.99 1.06 1.74 3.09 0.00 -1.98 0.28 103.07 109.25 1gwq h GLY 442 Ca -0.47 -0.47 -0.07 0.00 0.00 0.00 0.00 47.33 46.32 1gwq h GLY 442 CO 0.66 0.46 -0.18 0.83 0.00 0.00 0.00 176.54 178.31 1gwq h GLU 443 N 1.00 0.32 -0.09 4.80 3.07 -1.99 -0.70 114.58 120.98 1gwq h GLU 443 Ca 0.25 -0.09 -0.06 0.00 -0.50 0.00 0.00 59.36 58.95 1gwq h GLU 443 Cb 0.04 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1gwq h GLU 443 CO -0.04 0.50 -0.19 0.93 -1.40 0.00 0.00 179.01 178.81 1gwq h GLU 444 N 0.30 0.30 -0.85 2.33 5.08 -1.32 -3.04 114.58 117.37 1gwq h GLU 444 Ca 0.05 -0.19 0.15 0.00 -1.00 0.00 0.00 59.36 58.37 1gwq h GLU 444 Cb 0.50 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.71 1gwq h GLU 444 CO 0.03 0.79 0.56 0.35 -1.00 0.00 0.00 179.01 179.74 1gwq h PHE 445 N -0.16 0.69 -0.04 4.33 3.57 0.08 -1.60 116.94 123.83 1gwq h PHE 445 Ca 0.00 0.02 -0.21 0.00 3.53 0.00 0.00 57.97 61.31 1gwq h PHE 445 Cb 0.78 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 39.31 1gwq h PHE 445 CO 0.11 0.25 -0.86 0.28 -2.23 0.00 0.00 178.31 175.85 1gwq h VAL 446 N 0.58 1.38 -0.10 1.41 2.07 -1.17 0.14 116.25 120.56 1gwq h VAL 446 Ca 0.43 -2.31 0.00 0.00 0.82 0.00 0.00 66.70 65.64 1gwq h VAL 446 Cb 0.81 2.29 -0.01 0.00 -1.52 0.00 0.00 31.29 32.87 1gwq h VAL 446 CO -0.18 0.70 0.06 0.00 0.02 0.00 0.00 177.57 178.16 1gwq h LEU 448 N 0.12 0.94 -1.13 0.00 3.38 -1.21 -0.03 115.31 117.39 1gwq h LEU 448 Ca 0.04 -0.32 -0.07 0.00 0.09 0.00 0.00 57.88 57.62 1gwq h LEU 448 Cb -0.00 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 1gwq h LEU 448 CO -0.02 1.08 -0.11 0.50 0.09 0.00 0.00 178.44 179.97 1gwq h LYS 449 N 0.83 0.48 -0.03 1.13 3.64 -0.51 -1.70 116.57 120.40 1gwq h LYS 449 Ca 0.13 -0.13 -0.16 0.00 -1.27 0.00 0.00 60.65 59.21 1gwq h LYS 449 Cb 0.68 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.44 1gwq h LYS 449 CO 0.05 0.59 -0.71 0.77 -2.27 0.00 0.00 179.45 177.89 1gwq h SER 450 N 0.44 0.22 -0.54 4.20 0.02 -1.02 -2.36 113.55 114.51 1gwq h SER 450 Ca 0.08 -0.14 -0.06 0.00 -0.84 0.00 0.00 61.79 60.83 1gwq h SER 450 Cb 0.47 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 62.92 1gwq h SER 450 CO 0.03 0.85 0.12 0.40 -1.14 0.00 0.00 176.83 177.09 1gwq h ILE 451 N 0.12 1.24 -0.45 3.27 2.04 -0.71 -1.66 117.51 121.36 1gwq h ILE 451 Ca -0.02 -0.90 -0.10 0.00 1.00 0.00 0.00 64.86 64.84 1gwq h ILE 451 Cb 1.26 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 37.98 1gwq h ILE 451 CO 0.11 0.34 -0.12 0.40 0.00 0.00 0.00 178.15 178.87 1gwq h ILE 452 N 0.88 1.26 -0.27 -0.67 2.04 -0.93 0.18 117.51 120.00 1gwq h ILE 452 Ca 0.19 -1.20 -0.02 0.00 1.00 0.00 0.00 64.86 64.82 1gwq h ILE 452 Cb 0.35 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.46 1gwq h ILE 452 CO 0.00 0.41 0.08 0.25 0.00 0.00 0.00 178.15 178.90 1gwq h LEU 453 N 0.74 0.39 0.20 1.44 5.85 -0.87 -3.01 115.31 120.05 1gwq h LEU 453 Ca 0.12 -0.20 -0.31 0.00 0.84 0.00 0.00 57.88 58.32 1gwq h LEU 453 Cb 0.62 -0.10 0.03 0.00 0.37 0.00 0.00 40.66 41.57 1gwq h LEU 453 CO 0.04 0.49 -1.38 -0.07 -0.34 0.00 0.00 178.44 177.18 1gwq h LEU 454 N 0.27 0.74 -0.13 2.25 3.38 -1.17 -3.40 115.31 117.24 1gwq h LEU 454 Ca 0.09 -0.77 -0.20 0.00 0.09 0.00 0.00 57.88 57.08 1gwq h LEU 454 Cb 0.24 -0.24 0.01 0.00 0.09 0.00 0.00 40.66 40.76 1gwq h LEU 454 CO -0.00 1.60 -0.70 -1.13 0.09 0.00 0.00 178.44 178.29 1gwq h ASN 455 N 0.15 0.85 0.11 -0.43 -0.00 -0.70 -3.36 115.58 112.20 1gwq h ASN 455 Ca -0.21 -0.64 -0.01 0.00 -0.00 0.00 0.00 56.30 55.43 1gwq h ASN 455 Cb 2.08 -0.25 -0.00 0.00 -0.00 0.00 0.00 38.32 40.14 1gwq h ASN 455 CO 0.25 1.35 -0.07 0.28 -0.00 0.00 0.00 177.43 179.24 1gwq h SER 456 N 0.41 0.00 -0.05 1.15 0.02 -1.74 -3.14 113.55 110.20 1gwq h SER 456 Ca -0.05 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 1gwq h SER 456 Cb 1.34 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.88 1gwq h SER 456 CO 0.15 0.07 0.00 0.61 -1.14 0.00 0.00 176.83 176.51 1gwq n GLY 457 N -1.20 -0.04 0.28 -3.77 0.00 -1.26 -4.67 105.19 94.53 1gwq n GLY 457 Ca -0.03 -0.30 -0.04 0.00 0.00 0.00 0.00 46.02 45.66 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 1.99 1.14 -0.02 1.61 3.04 -1.69 -2.08 116.25 120.24 1gwq h VAL 458 Ca 0.00 -0.32 0.00 0.00 -1.01 0.00 0.00 66.70 65.37 1gwq h VAL 458 Cb 0.46 0.12 0.00 0.00 -2.01 0.00 0.00 31.29 29.86 1gwq h VAL 458 CO 0.00 0.17 0.00 -1.22 -1.01 0.00 0.00 177.57 175.51 1gwq n TYR 459 N -4.62 0.02 -1.32 3.17 4.01 -1.26 -3.95 117.16 113.21 1gwq n TYR 459 Ca 0.08 -0.01 0.07 0.00 -0.16 0.00 0.00 57.90 57.87 1gwq n TYR 459 Cb 0.06 0.00 0.18 0.00 -0.31 0.00 0.00 39.34 39.27 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 -0.57 2.12 0.27 -0.72 -2.24 -0.78 -4.75 114.28 107.60 1gwq n THR 460 Ca 0.20 -2.70 0.11 0.00 -2.27 0.00 0.00 64.05 59.40 1gwq n THR 460 Cb 0.17 -0.25 0.74 0.00 -2.10 0.00 0.00 70.33 68.89 1gwq n THR 460 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 1gwq h PHE 461 N 0.64 0.00 -6.07 4.78 0.04 -1.68 -3.46 116.94 111.19 1gwq h PHE 461 Ca 0.02 0.00 -0.25 0.00 2.80 0.00 0.00 57.97 60.54 1gwq h PHE 461 Cb 1.10 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.25 1gwq h PHE 461 CO 0.45 0.07 -0.68 1.28 -0.60 0.00 0.00 178.31 178.83 1gwq n LEU 462 N -3.97 -4.42 -3.65 1.54 4.77 -1.26 -4.99 117.00 105.02 1gwq n LEU 462 Ca -0.03 -0.34 0.01 0.00 -0.03 0.00 0.00 56.01 55.63 1gwq n LEU 462 Cb 0.16 -2.42 -0.06 0.00 -2.33 0.00 0.00 43.42 38.77 1gwq n LEU 462 CO 0.31 -0.55 1.02 -0.44 -1.33 0.00 0.00 177.39 176.39 1gwq s SER 463 N -2.69 -0.09 -0.49 -1.43 0.01 -1.26 -5.09 113.70 102.66 1gwq s SER 463 Ca 0.10 0.15 0.06 0.00 1.31 0.00 0.00 55.95 57.57 1gwq s SER 463 Cb -0.02 0.85 0.22 0.00 0.21 0.00 0.00 66.02 67.28 1gwq s SER 463 CO 0.83 -0.02 0.51 -0.24 0.41 0.00 0.00 173.24 174.72 1gwq n SER 464 N 2.81 1.08 -4.40 2.44 2.88 -1.26 -4.90 113.62 112.27 1gwq n SER 464 Ca -0.16 -2.82 -0.22 0.00 -1.33 0.00 0.00 58.87 54.34 1gwq n SER 464 Cb 0.56 -0.64 -0.10 0.00 -0.75 0.00 0.00 64.21 63.28 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 -1.12 2.12 0.32 2.46 -4.23 -1.26 -5.01 115.64 108.92 1gwq s THR 465 Ca 0.34 -2.20 0.01 0.00 -1.18 0.00 0.00 61.69 58.66 1gwq s THR 465 Cb 0.10 -2.11 0.23 0.00 1.34 0.00 0.00 72.50 72.06 1gwq s THR 465 CO -0.13 -0.40 1.95 -0.07 -0.54 0.00 0.00 174.62 175.43 1gwq h LEU 466 N 2.68 0.77 0.04 4.79 3.38 -1.99 -1.42 115.31 123.55 1gwq h LEU 466 Ca -0.41 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.50 1gwq h LEU 466 Cb 1.23 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.79 1gwq h LEU 466 CO 0.57 0.62 -0.02 0.50 0.09 0.00 0.00 178.44 180.20 1gwq h LYS 467 N 0.87 -0.05 -0.86 1.13 1.63 -1.98 0.54 116.57 117.85 1gwq h LYS 467 Ca 0.22 0.00 0.07 0.00 -0.85 0.00 0.00 60.65 60.10 1gwq h LYS 467 Cb 0.03 0.01 -0.07 0.00 -0.60 0.00 0.00 32.23 31.60 1gwq h LYS 467 CO -0.04 -0.01 0.52 0.77 -3.45 0.00 0.00 179.45 177.25 1gwq h SER 468 N -0.07 0.80 -0.38 4.20 0.02 -1.65 0.43 113.55 116.89 1gwq h SER 468 Ca -0.01 0.03 -0.06 0.00 -0.84 0.00 0.00 61.79 60.91 1gwq h SER 468 Cb 0.06 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.44 1gwq h SER 468 CO 0.01 0.49 0.03 -0.07 -1.14 0.00 0.00 176.83 176.14 1gwq h LEU 469 N 0.92 0.71 -0.68 5.07 3.38 -0.78 -1.42 115.31 122.52 1gwq h LEU 469 Ca 0.39 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 58.15 1gwq h LEU 469 Cb 0.24 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 1gwq h LEU 469 CO -0.20 0.76 0.21 -0.08 0.09 0.00 0.00 178.44 179.22 1gwq h GLU 470 N 0.70 1.05 -0.03 1.13 4.81 0.64 -1.01 114.58 121.88 1gwq h GLU 470 Ca 0.14 -0.23 -0.01 0.00 -0.13 0.00 0.00 59.36 59.14 1gwq h GLU 470 Cb 0.40 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.62 1gwq h GLU 470 CO 0.01 0.92 -0.00 0.93 -0.73 0.00 0.00 179.01 180.14 1gwq h GLU 471 N 0.99 0.06 -0.76 1.92 4.39 -0.12 -2.26 114.58 118.80 1gwq h GLU 471 Ca 0.22 -0.02 0.02 0.00 0.34 0.00 0.00 59.36 59.92 1gwq h GLU 471 Cb 0.30 -0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.91 1gwq h GLU 471 CO -0.01 0.38 0.50 0.87 -1.16 0.00 0.00 179.01 179.60 1gwq h LYS 472 N -0.27 0.95 -0.06 2.33 1.57 -1.29 -0.45 116.57 119.34 1gwq h LYS 472 Ca 0.01 -0.06 -0.10 0.00 -1.87 0.00 0.00 60.65 58.63 1gwq h LYS 472 Cb 0.36 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 1gwq h LYS 472 CO 0.00 0.63 -0.42 0.22 -0.57 0.00 0.00 179.45 179.31 1gwq h ASP 473 N 0.98 0.14 -0.10 0.86 3.58 -1.06 0.12 116.42 120.95 1gwq h ASP 473 Ca 0.29 -0.06 -0.04 0.00 0.42 0.00 0.00 57.03 57.64 1gwq h ASP 473 Cb -0.03 -0.04 -0.00 0.00 1.72 0.00 0.00 39.33 40.97 1gwq h ASP 473 CO -0.07 0.56 -0.11 -0.74 -2.88 0.00 0.00 179.24 176.00 1gwq h HIS 474 N 0.12 0.30 -0.39 0.28 2.76 -0.60 -2.47 115.15 115.15 1gwq h HIS 474 Ca 0.01 -0.09 0.02 0.00 -2.20 0.00 0.00 60.37 58.11 1gwq h HIS 474 Cb 0.80 -0.06 -0.03 0.00 1.55 0.00 0.00 27.41 29.67 1gwq h HIS 474 CO 0.01 0.68 0.21 0.82 -1.30 0.00 0.00 177.93 178.35 1gwq h ILE 475 N -0.16 1.01 0.00 6.26 2.04 -0.84 -1.33 117.51 124.49 1gwq h ILE 475 Ca 0.02 -0.15 -0.03 0.00 1.00 0.00 0.00 64.86 65.69 1gwq h ILE 475 Cb 0.63 0.54 -0.00 0.00 -0.74 0.00 0.00 36.82 37.25 1gwq h ILE 475 CO 0.03 0.08 -0.16 0.45 0.00 0.00 0.00 178.15 178.54 1gwq h HIS 476 N 0.43 0.00 -0.01 1.37 3.86 -0.75 -0.16 115.15 119.89 1gwq h HIS 476 Ca 0.16 0.00 -0.24 0.00 -1.16 0.00 0.00 60.37 59.13 1gwq h HIS 476 Cb 0.04 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.52 1gwq h HIS 476 CO -0.09 0.16 -0.96 0.00 0.86 0.00 0.00 177.93 177.90 1gwq h ARG 477 N 0.00 0.56 -0.28 2.45 3.08 -0.79 -1.43 114.38 117.97 1gwq h ARG 477 Ca -0.00 -0.58 -0.06 0.00 0.07 0.00 0.00 59.98 59.40 1gwq h ARG 477 Cb 0.36 0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.56 1gwq h ARG 477 CO 0.02 1.20 -0.07 0.28 -1.07 0.00 0.00 179.97 180.33 1gwq h VAL 478 N 0.32 1.28 -0.74 2.04 2.07 -0.75 -1.68 116.25 118.79 1gwq h VAL 478 Ca -0.10 -1.10 0.15 0.00 0.82 0.00 0.00 66.70 66.47 1gwq h VAL 478 Cb 1.60 1.42 -0.10 0.00 -1.52 0.00 0.00 31.29 32.70 1gwq h VAL 478 CO 0.18 0.35 0.26 -0.07 0.02 0.00 0.00 177.57 178.31 1gwq h LEU 479 N 0.30 0.20 -1.17 2.57 3.38 -1.02 0.16 115.31 119.73 1gwq h LEU 479 Ca 0.07 0.12 -0.06 0.00 0.09 0.00 0.00 57.88 58.09 1gwq h LEU 479 Cb 0.55 0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 1gwq h LEU 479 CO 0.03 0.06 -0.11 0.44 0.09 0.00 0.00 178.44 178.95 1gwq h ASP 480 N 0.39 0.42 -0.60 -0.43 5.19 -0.93 -0.81 116.42 119.65 1gwq h ASP 480 Ca 0.41 -0.10 -0.09 0.00 -0.62 0.00 0.00 57.03 56.63 1gwq h ASP 480 Cb 0.64 -0.11 -0.02 0.00 0.18 0.00 0.00 39.33 40.02 1gwq h ASP 480 CO -0.43 0.57 0.03 0.50 -3.12 0.00 0.00 179.24 176.79 1gwq h LYS 481 N 0.41 1.04 -0.63 3.56 1.63 0.18 -1.53 116.57 121.23 1gwq h LYS 481 Ca 0.08 -0.32 -0.08 0.00 -0.85 0.00 0.00 60.65 59.48 1gwq h LYS 481 Cb 0.45 -0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 31.95 1gwq h LYS 481 CO 0.03 1.01 0.07 0.82 -3.45 0.00 0.00 179.45 177.92 1gwq h ILE 482 N 0.94 1.26 0.20 2.00 2.04 -0.19 -0.38 117.51 123.38 1gwq h ILE 482 Ca 0.17 -1.06 -0.00 0.00 1.00 0.00 0.00 64.86 64.97 1gwq h ILE 482 Cb 0.52 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 1gwq h ILE 482 CO 0.03 0.39 -0.14 0.74 0.00 0.00 0.00 178.15 179.17 1gwq h THR 483 N 0.99 0.69 -0.83 -0.27 2.02 -1.04 0.34 112.91 114.81 1gwq h THR 483 Ca 0.19 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.53 1gwq h THR 483 Cb 0.47 0.69 -0.10 0.00 -1.74 0.00 0.00 68.15 67.48 1gwq h THR 483 CO 0.02 0.00 0.40 0.44 0.37 0.00 0.00 175.52 176.74 1gwq h ASP 484 N -0.34 0.43 -0.24 4.18 3.32 -0.88 -0.22 116.42 122.67 1gwq h ASP 484 Ca -0.01 0.11 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 1gwq h ASP 484 Cb 0.30 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 1gwq h ASP 484 CO 0.00 0.16 0.10 0.74 -1.72 0.00 0.00 179.24 178.52 1gwq h THR 485 N 0.54 1.16 -0.29 0.35 2.02 0.08 -0.73 112.91 116.05 1gwq h THR 485 Ca 0.47 -0.49 0.07 0.00 0.77 0.00 0.00 66.41 67.22 1gwq h THR 485 Cb 0.71 1.05 -0.07 0.00 -1.74 0.00 0.00 68.15 68.10 1gwq h THR 485 CO -0.40 0.16 -0.21 -0.07 0.37 0.00 0.00 175.52 175.38 1gwq h LEU 486 N 0.23 -0.68 -0.94 2.58 3.38 0.13 0.46 115.31 120.48 1gwq h LEU 486 Ca 0.08 0.14 0.04 0.00 0.09 0.00 0.00 57.88 58.23 1gwq h LEU 486 Cb 0.17 0.34 -0.06 0.00 0.09 0.00 0.00 40.66 41.20 1gwq h LEU 486 CO -0.01 -0.24 0.60 0.40 0.09 0.00 0.00 178.44 179.28 1gwq h ILE 487 N -0.19 1.13 -0.34 1.22 1.08 -0.96 -1.93 117.51 117.52 1gwq h ILE 487 Ca 0.15 -0.40 -0.05 0.00 -0.39 0.00 0.00 64.86 64.18 1gwq h ILE 487 Cb 0.42 -0.12 -0.01 0.00 -3.07 0.00 0.00 36.82 34.04 1gwq h ILE 487 CO -0.40 0.21 0.02 -0.74 -0.69 0.00 0.00 178.15 176.55 1gwq h HIS 488 N 1.15 0.64 -0.23 1.37 2.76 -0.23 0.58 115.15 121.20 1gwq h HIS 488 Ca 0.38 -0.10 0.05 0.00 -2.20 0.00 0.00 60.37 58.50 1gwq h HIS 488 Cb 0.05 -0.17 -0.05 0.00 1.55 0.00 0.00 27.41 28.79 1gwq h HIS 488 CO -0.01 0.69 -0.09 -0.07 -1.30 0.00 0.00 177.93 177.15 1gwq h LEU 489 N 0.41 -0.30 -0.97 0.26 3.38 -0.49 0.29 115.31 117.90 1gwq h LEU 489 Ca 0.10 0.08 0.02 0.00 0.09 0.00 0.00 57.88 58.17 1gwq h LEU 489 Cb 0.42 0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.29 1gwq h LEU 489 CO 0.01 -0.11 0.64 0.24 0.09 0.00 0.00 178.44 179.31 1gwq h MET 490 N -0.05 1.24 -0.13 1.13 2.86 -0.96 -0.91 114.93 118.12 1gwq h MET 490 Ca 0.12 -0.07 -0.19 0.00 -2.06 0.00 0.00 59.70 57.50 1gwq h MET 490 Cb 0.22 -0.28 -0.00 0.00 0.06 0.00 0.00 31.60 31.60 1gwq h MET 490 CO -0.26 0.82 -0.68 0.00 1.06 0.00 0.00 176.91 177.85 1gwq h ALA 491 N 1.37 0.56 -0.05 6.32 0.00 -0.28 -1.64 119.26 125.54 1gwq h ALA 491 Ca 0.37 -0.58 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 1gwq h ALA 491 Cb -0.10 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1gwq h ALA 491 CO -0.09 0.72 -0.06 -0.22 0.00 0.00 0.00 179.25 179.60 1gwq h LYS 492 N 0.39 0.07 -0.05 0.00 3.64 -0.43 0.22 116.57 120.41 1gwq h LYS 492 Ca -0.02 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1gwq h LYS 492 Cb 1.26 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 1gwq h LYS 492 CO 0.13 0.14 0.00 0.00 -2.27 0.00 0.00 179.45 177.44 1gwq n ALA 493 N -2.52 2.58 -0.73 5.00 0.00 -0.39 -4.89 120.51 119.56 1gwq n ALA 493 Ca -0.02 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.18 1gwq n ALA 493 Cb 0.16 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.39 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 0.89 0.61 3.77 0.00 0.00 0.07 -5.03 105.19 105.50 1gwq n GLY 494 Ca 0.14 -0.21 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 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 3.65 0.77 0.99 1.43 -0.65 -4.99 118.68 119.87 1gwq s LEU 495 Ca 0.00 2.13 -0.11 0.00 -1.03 0.00 0.00 54.13 55.12 1gwq s LEU 495 Cb 0.00 -4.57 0.05 0.00 0.03 0.00 0.00 46.19 41.70 1gwq s LEU 495 CO 0.00 -1.34 1.08 -0.89 0.23 0.00 0.00 176.35 175.43 1gwq s THR 496 N -1.93 3.45 0.19 5.49 2.01 -1.26 -4.66 115.64 118.93 1gwq s THR 496 Ca 0.71 0.47 -0.12 0.00 0.31 0.00 0.00 61.69 63.06 1gwq s THR 496 Cb -0.23 -3.10 0.10 0.00 0.01 0.00 0.00 72.50 69.29 1gwq s THR 496 CO 0.31 -0.62 1.76 0.25 -0.69 0.00 0.00 174.62 175.63 1gwq h LEU 497 N -1.03 0.25 -0.88 4.42 5.85 -1.99 0.21 115.31 122.14 1gwq h LEU 497 Ca -0.45 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.31 1gwq h LEU 497 Cb 1.24 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 42.25 1gwq h LEU 497 CO 0.55 0.17 0.48 -0.61 -0.34 0.00 0.00 178.44 178.69 1gwq h GLN 498 N 0.41 1.24 -0.07 1.25 4.15 -1.99 -1.18 115.11 118.92 1gwq h GLN 498 Ca 0.25 -0.15 -0.01 0.00 0.77 0.00 0.00 58.65 59.51 1gwq h GLN 498 Cb 0.25 -0.24 -0.00 0.00 0.21 0.00 0.00 27.48 27.70 1gwq h GLN 498 CO -0.23 0.91 -0.01 1.96 -1.93 0.00 0.00 178.83 179.53 1gwq h GLN 499 N 1.24 0.12 -0.33 1.69 4.20 -1.47 -0.86 115.11 119.70 1gwq h GLN 499 Ca 0.31 -0.04 0.06 0.00 0.06 0.00 0.00 58.65 59.04 1gwq h GLN 499 Cb 0.04 -0.01 -0.05 0.00 0.30 0.00 0.00 27.48 27.76 1gwq h GLN 499 CO -0.05 0.42 -0.00 1.96 -0.67 0.00 0.00 178.83 180.49 1gwq h GLN 500 N -0.20 0.09 -0.44 1.46 4.20 -0.50 0.21 115.11 119.94 1gwq h GLN 500 Ca 0.02 -0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.67 1gwq h GLN 500 Cb 0.38 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.11 1gwq h GLN 500 CO 0.00 0.06 0.04 0.45 -0.67 0.00 0.00 178.83 178.71 1gwq h HIS 501 N 0.09 0.71 -0.59 2.96 3.86 -1.11 -2.04 115.15 119.03 1gwq h HIS 501 Ca 0.16 -0.08 -0.04 0.00 -1.16 0.00 0.00 60.37 59.26 1gwq h HIS 501 Cb 0.21 -0.20 -0.03 0.00 1.06 0.00 0.00 27.41 28.45 1gwq h HIS 501 CO -0.24 0.65 0.23 1.96 0.86 0.00 0.00 177.93 181.40 1gwq h GLN 502 N 0.65 0.89 -0.10 2.45 4.20 0.04 -2.89 115.11 120.35 1gwq h GLN 502 Ca 0.14 -0.16 -0.13 0.00 0.06 0.00 0.00 58.65 58.56 1gwq h GLN 502 Cb 0.35 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 1gwq h GLN 502 CO 0.01 0.76 -0.50 -0.09 -0.67 0.00 0.00 178.83 178.35 1gwq h ARG 503 N 0.83 0.25 -0.43 1.46 2.43 -0.76 -1.73 114.38 116.42 1gwq h ARG 503 Ca 0.20 -0.14 -0.09 0.00 -0.81 0.00 0.00 59.98 59.14 1gwq h ARG 503 Cb 0.21 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.75 1gwq h ARG 503 CO -0.02 0.69 -0.09 1.25 -1.51 0.00 0.00 179.97 180.30 1gwq h LEU 504 N 0.20 0.75 -0.04 3.80 5.85 -1.27 0.25 115.31 124.85 1gwq h LEU 504 Ca 0.01 -0.21 -0.02 0.00 0.84 0.00 0.00 57.88 58.50 1gwq h LEU 504 Cb 0.95 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.78 1gwq h LEU 504 CO 0.08 0.87 -0.05 0.00 -0.34 0.00 0.00 178.44 179.00 1gwq h ALA 505 N 1.20 0.06 -0.63 1.25 0.00 -1.37 -0.76 119.26 119.01 1gwq h ALA 505 Ca 0.12 -0.29 0.11 0.00 0.00 0.00 0.00 54.91 54.86 1gwq h ALA 505 Cb 0.56 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.25 1gwq h ALA 505 CO 0.03 -0.14 0.18 1.96 0.00 0.00 0.00 179.25 181.29 1gwq h GLN 506 N -0.38 0.32 -0.21 0.00 4.20 -0.86 0.56 115.11 118.73 1gwq h GLN 506 Ca 0.00 -0.02 -0.15 0.00 0.06 0.00 0.00 58.65 58.54 1gwq h GLN 506 Cb 0.58 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.28 1gwq h GLN 506 CO 0.01 0.21 -0.50 -0.07 -0.67 0.00 0.00 178.83 177.82 1gwq h LEU 507 N 0.33 0.63 -0.60 1.46 3.38 -0.45 -3.18 115.31 116.87 1gwq h LEU 507 Ca 0.33 -0.32 -0.15 0.00 0.09 0.00 0.00 57.88 57.83 1gwq h LEU 507 Cb 0.48 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1gwq h LEU 507 CO -0.38 1.02 -0.63 -0.07 0.09 0.00 0.00 178.44 178.48 1gwq h LEU 508 N 0.46 0.31 -1.22 1.67 3.38 -0.11 -3.17 115.31 116.63 1gwq h LEU 508 Ca 0.02 -0.18 -0.08 0.00 0.09 0.00 0.00 57.88 57.73 1gwq h LEU 508 Cb 1.03 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 1gwq h LEU 508 CO 0.10 0.86 -0.39 -0.07 0.09 0.00 0.00 178.44 179.02 1gwq h LEU 509 N 0.20 0.00 -1.82 1.67 3.38 -0.95 -0.82 115.31 116.97 1gwq h LEU 509 Ca -0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1gwq h LEU 509 Cb 1.14 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.89 1gwq h LEU 509 CO 0.10 0.39 -0.08 0.40 0.09 0.00 0.00 178.44 179.34 1gwq h ILE 510 N 0.00 1.06 -0.22 1.22 2.04 -1.53 -1.04 117.51 119.04 1gwq h ILE 510 Ca -0.00 -0.30 0.06 0.00 1.00 0.00 0.00 64.86 65.62 1gwq h ILE 510 Cb 0.69 1.15 -0.01 0.00 -0.74 0.00 0.00 36.82 37.91 1gwq h ILE 510 CO 0.05 0.09 0.16 -0.07 0.00 0.00 0.00 178.15 178.38 1gwq h LEU 511 N 0.01 0.00 -0.55 1.44 3.38 -1.21 0.23 115.31 118.61 1gwq h LEU 511 Ca 0.00 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.84 1gwq h LEU 511 Cb 0.15 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1gwq h LEU 511 CO 0.01 0.00 -0.32 0.28 0.09 0.00 0.00 178.44 178.51 1gwq h SER 512 N 0.00 0.86 -0.37 -0.43 0.02 -1.28 -0.45 113.55 111.90 1gwq h SER 512 Ca 0.11 -0.36 -0.09 0.00 -0.84 0.00 0.00 61.79 60.61 1gwq h SER 512 Cb 0.42 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.71 1gwq h SER 512 CO -0.00 1.10 -0.09 -0.74 -1.14 0.00 0.00 176.83 175.96 1gwq h HIS 513 N 0.69 0.88 -0.29 3.45 -0.00 -0.61 -1.91 115.15 117.36 1gwq h HIS 513 Ca 0.07 -0.16 -0.03 0.00 -0.00 0.00 0.00 60.37 60.25 1gwq h HIS 513 Cb 0.86 -0.23 -0.01 0.00 -0.00 0.00 0.00 27.41 28.04 1gwq h HIS 513 CO 0.05 0.86 0.05 0.82 -0.00 0.00 0.00 177.93 179.70 1gwq h ILE 514 N 0.73 1.23 -0.54 6.26 2.04 -0.97 0.43 117.51 126.69 1gwq h ILE 514 Ca 0.13 -0.80 0.10 0.00 1.00 0.00 0.00 64.86 65.29 1gwq h ILE 514 Cb 0.57 1.19 -0.08 0.00 -0.74 0.00 0.00 36.82 37.76 1gwq h ILE 514 CO 0.04 0.26 0.06 -0.09 0.00 0.00 0.00 178.15 178.42 1gwq h ARG 515 N 0.30 0.18 0.21 2.37 9.65 -0.90 0.53 114.38 126.73 1gwq h ARG 515 Ca 0.09 -0.01 0.01 0.00 -1.10 0.00 0.00 59.98 58.96 1gwq h ARG 515 Cb 0.34 -0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 28.86 1gwq h ARG 515 CO 0.01 0.12 -0.25 1.25 2.80 0.00 0.00 179.97 183.89 1gwq h HIS 516 N 0.19 -0.68 -0.74 2.20 2.76 -0.83 0.14 115.15 118.18 1gwq h HIS 516 Ca 0.28 0.01 0.10 0.00 -2.20 0.00 0.00 60.37 58.55 1gwq h HIS 516 Cb 0.41 0.27 -0.07 0.00 1.55 0.00 0.00 27.41 29.57 1gwq h HIS 516 CO -0.28 -0.37 0.38 0.52 -1.30 0.00 0.00 177.93 176.89 1gwq h MET 517 N -0.52 0.62 -0.59 5.26 2.86 -0.10 -0.90 114.93 121.56 1gwq h MET 517 Ca 0.00 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1gwq h MET 517 Cb 0.50 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 31.99 1gwq h MET 517 CO -0.08 0.41 0.35 1.03 1.06 0.00 0.00 176.91 179.68 1gwq h SER 518 N 0.64 0.71 -0.29 1.22 0.87 -0.48 0.95 113.55 117.17 1gwq h SER 518 Ca 0.37 -0.06 -0.07 0.00 -1.23 0.00 0.00 61.79 60.79 1gwq h SER 518 Cb 0.39 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.15 1gwq h SER 518 CO -0.27 0.56 -0.05 0.78 -0.53 0.00 0.00 176.83 177.33 1gwq h ASN 519 N 0.79 0.64 0.71 6.23 2.35 0.59 -0.10 115.58 126.79 1gwq h ASN 519 Ca 0.21 -0.15 -0.16 0.00 -0.55 0.00 0.00 56.30 55.65 1gwq h ASN 519 Cb -0.01 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.17 1gwq h ASN 519 CO -0.04 0.74 -0.75 0.11 -1.65 0.00 0.00 177.43 175.84 1gwq h LYS 520 N 0.62 0.03 -0.23 0.81 1.79 -0.99 -2.57 116.57 116.03 1gwq h LYS 520 Ca 0.12 -0.03 -0.14 0.00 -2.18 0.00 0.00 60.65 58.42 1gwq h LYS 520 Cb 0.46 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.11 1gwq h LYS 520 CO 0.02 0.76 -0.43 0.78 -1.08 0.00 0.00 179.45 179.51 1gwq h GLY 521 N 2.15 0.75 0.97 3.86 0.00 -0.42 -0.90 103.07 109.48 1gwq h GLY 521 Ca -0.01 -0.88 -0.00 0.00 0.00 0.00 0.00 47.33 46.44 1gwq h GLY 521 CO 0.10 0.79 -0.04 -0.33 0.00 0.00 0.00 176.54 177.06 1gwq h MET 522 N 0.40 -0.11 -0.31 4.80 2.86 -0.99 0.69 114.93 122.27 1gwq h MET 522 Ca 0.01 0.01 0.06 0.00 -2.06 0.00 0.00 59.70 57.72 1gwq h MET 522 Cb 1.03 0.02 -0.08 0.00 0.06 0.00 0.00 31.60 32.63 1gwq h MET 522 CO 0.10 -0.07 -0.44 0.93 1.06 0.00 0.00 176.91 178.48 1gwq h GLU 523 N -0.11 -0.38 -0.91 1.72 4.39 -1.39 0.16 114.58 118.06 1gwq h GLU 523 Ca -0.00 0.03 0.03 0.00 0.34 0.00 0.00 59.36 59.75 1gwq h GLU 523 Cb 0.09 0.09 -0.05 0.00 -0.10 0.00 0.00 28.75 28.78 1gwq h GLU 523 CO 0.00 -0.25 0.60 1.25 -1.16 0.00 0.00 179.01 179.45 1gwq h HIS 524 N -0.40 1.11 -0.73 4.33 2.76 -0.78 -1.68 115.15 119.76 1gwq h HIS 524 Ca 0.11 0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 58.27 1gwq h HIS 524 Cb 0.60 -0.37 -0.03 0.00 1.55 0.00 0.00 27.41 29.16 1gwq h HIS 524 CO -0.59 0.65 0.31 1.25 -1.30 0.00 0.00 177.93 178.26 1gwq h LEU 525 N 1.15 1.00 0.18 0.26 5.85 0.21 -0.93 115.31 123.04 1gwq h LEU 525 Ca 0.36 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.91 1gwq h LEU 525 Cb -0.01 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 40.76 1gwq h LEU 525 CO -0.10 0.88 -0.09 0.22 -0.34 0.00 0.00 178.44 179.01 1gwq h TYR 526 N 1.05 -0.23 -0.06 1.25 3.20 -0.12 -2.09 116.97 119.97 1gwq h TYR 526 Ca 0.25 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.14 1gwq h TYR 526 Cb 0.18 0.08 -0.04 0.00 1.54 0.00 0.00 36.73 38.49 1gwq h TYR 526 CO 0.01 -0.08 -0.18 0.77 -1.64 0.00 0.00 178.16 177.05 1gwq h SER 527 N -0.33 -0.53 -0.95 -2.11 0.02 -1.12 -0.13 113.55 108.41 1gwq h SER 527 Ca -0.03 0.08 0.21 0.00 -0.84 0.00 0.00 61.79 61.22 1gwq h SER 527 Cb 0.25 0.23 -0.08 0.00 0.14 0.00 0.00 62.40 62.95 1gwq h SER 527 CO 0.04 -0.23 0.62 0.24 -1.14 0.00 0.00 176.83 176.35 1gwq h MET 528 N -0.26 0.47 -0.07 3.45 2.86 -1.03 0.36 114.93 120.71 1gwq h MET 528 Ca 0.07 -0.03 -0.15 0.00 -2.06 0.00 0.00 59.70 57.54 1gwq h MET 528 Cb 0.36 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.90 1gwq h MET 528 CO -0.21 0.31 -0.61 -0.22 1.06 0.00 0.00 176.91 177.24 1gwq h LYS 529 N 0.48 0.25 0.00 1.72 3.64 -0.41 -2.87 116.57 119.39 1gwq h LYS 529 Ca 0.51 -0.18 0.00 0.00 -1.27 0.00 0.00 60.65 59.72 1gwq h LYS 529 Cb 1.17 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 1gwq h LYS 529 CO -0.23 0.78 -0.06 0.00 -2.27 0.00 0.00 179.45 177.67 1gwq n LYS 531 N -2.68 2.30 -3.95 0.00 5.02 -0.23 -4.97 118.16 113.65 1gwq n LYS 531 Ca 0.05 -1.92 -0.31 0.00 -2.02 0.00 0.00 58.31 54.11 1gwq n LYS 531 Cb 0.48 -1.48 0.02 0.00 -0.02 0.00 0.00 35.03 34.04 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 1.25 -4.44 0.07 4.39 3.02 -1.12 -4.86 115.26 113.57 1gwq n ASN 532 Ca 0.16 -0.81 -0.01 0.00 -0.03 0.00 0.00 54.58 53.89 1gwq n ASN 532 Cb 0.57 -3.74 -0.05 0.00 -0.61 0.00 0.00 39.78 35.94 1gwq n ASN 532 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1gwq h VAL 533 N -2.01 0.87 -3.72 2.41 2.07 -1.81 -3.45 116.25 110.62 1gwq h VAL 533 Ca -0.58 -2.38 -0.44 0.00 0.82 0.00 0.00 66.70 64.12 1gwq h VAL 533 Cb 1.38 2.36 -0.32 0.00 -1.52 0.00 0.00 31.29 33.19 1gwq h VAL 533 CO 0.68 0.50 -0.79 -0.69 0.02 0.00 0.00 177.57 177.29 1gwq s VAL 534 N -2.87 0.79 -1.29 2.57 1.01 -1.26 -4.44 120.40 114.90 1gwq s VAL 534 Ca 0.00 -0.34 -0.06 0.00 0.00 0.00 0.00 61.98 61.58 1gwq s VAL 534 Cb 0.08 -0.72 0.15 0.00 0.00 0.00 0.00 36.38 35.89 1gwq s VAL 534 CO 0.79 0.26 2.20 -0.81 0.00 0.00 0.00 175.10 177.54 1gwq n PRO 535 N 3.45 4.36 -1.46 2.72 -0.04 -1.26 -4.80 135.00 137.97 1gwq n PRO 535 Ca -0.20 -3.55 -0.52 0.00 -0.04 0.00 0.00 63.50 59.19 1gwq n PRO 535 Cb 0.53 -2.70 -0.05 0.00 -0.04 0.00 0.00 33.50 31.25 1gwq n PRO 535 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1gwq n LEU 536 N 2.23 -0.44 -4.87 1.53 4.32 -1.26 -4.98 117.00 113.53 1gwq n LEU 536 Ca 0.55 1.14 -0.31 0.00 -0.02 0.00 0.00 56.01 57.37 1gwq n LEU 536 Cb 0.28 -0.98 -0.00 0.00 -1.62 0.00 0.00 43.42 41.09 1gwq n LEU 536 CO 0.72 -2.40 0.65 -0.31 -1.22 0.00 0.00 177.39 174.82 1gwq s TYR 537 N -0.59 3.57 0.10 -1.77 2.02 -1.26 -4.80 117.35 114.61 1gwq s TYR 537 Ca 0.73 1.23 -0.28 0.00 -0.37 0.00 0.00 57.07 58.39 1gwq s TYR 537 Cb -1.02 -2.65 -0.10 0.00 -0.40 0.00 0.00 41.96 37.79 1gwq s TYR 537 CO 0.56 -0.51 1.45 -0.44 -1.57 0.00 0.00 175.55 175.05 1gwq h ASP 538 N 0.17 -1.45 -0.70 2.29 3.32 -1.97 0.41 116.42 118.48 1gwq h ASP 538 Ca -0.45 0.18 0.02 0.00 0.02 0.00 0.00 57.03 56.79 1gwq h ASP 538 Cb 1.19 0.57 -0.04 0.00 0.22 0.00 0.00 39.33 41.27 1gwq h ASP 538 CO 0.62 -0.39 0.45 0.25 -1.72 0.00 0.00 179.24 178.45 1gwq h LEU 539 N -0.45 0.76 0.11 1.55 5.85 -1.95 0.62 115.31 121.79 1gwq h LEU 539 Ca 0.03 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 1gwq h LEU 539 Cb 0.55 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.40 1gwq h LEU 539 CO -0.39 0.54 -0.05 0.25 -0.34 0.00 0.00 178.44 178.45 1gwq h LEU 540 N 0.90 -0.12 -0.28 2.25 5.85 -1.84 -2.14 115.31 119.93 1gwq h LEU 540 Ca 0.27 -0.29 0.06 0.00 0.84 0.00 0.00 57.88 58.76 1gwq h LEU 540 Cb -0.04 0.03 -0.07 0.00 0.37 0.00 0.00 40.66 40.95 1gwq h LEU 540 CO -0.08 0.24 -0.18 0.25 -0.34 0.00 0.00 178.44 178.33 1gwq h LEU 541 N -0.50 -0.58 -0.74 2.25 5.85 0.09 -1.95 115.31 119.73 1gwq h LEU 541 Ca -0.01 0.12 0.11 0.00 0.84 0.00 0.00 57.88 58.94 1gwq h LEU 541 Cb 0.41 0.30 -0.12 0.00 0.37 0.00 0.00 40.66 41.62 1gwq h LEU 541 CO 0.02 -0.21 -0.42 -0.33 -0.34 0.00 0.00 178.44 177.16 1gwq h GLU 542 N -0.15 -0.13 -0.32 1.25 5.08 0.39 -0.99 114.58 119.71 1gwq h GLU 542 Ca 0.15 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.53 1gwq h GLU 542 Cb 0.38 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 1gwq h GLU 542 CO -0.37 -0.08 0.21 0.52 -1.00 0.00 0.00 179.01 178.29 1gwq h MET 543 N -0.13 0.39 -0.51 2.33 2.86 -0.69 -2.42 114.93 116.77 1gwq h MET 543 Ca 0.23 -0.02 -0.12 0.00 -2.06 0.00 0.00 59.70 57.72 1gwq h MET 543 Cb 0.55 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.11 1gwq h MET 543 CO -0.79 0.26 -0.16 1.25 1.06 0.00 0.00 176.91 178.52 1gwq h LEU 544 N 0.41 1.02 -1.70 1.22 5.85 -0.71 -2.89 115.31 118.51 1gwq h LEU 544 Ca 0.12 -0.37 -0.00 0.00 0.84 0.00 0.00 57.88 58.46 1gwq h LEU 544 Cb -0.00 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.73 1gwq h LEU 544 CO -0.03 1.16 0.15 0.44 -0.34 0.00 0.00 178.44 179.82 1gwq h ASP 545 N 0.87 0.31 -0.69 1.25 3.32 -0.90 -2.05 116.42 118.52 1gwq h ASP 545 Ca 0.12 -0.01 0.15 0.00 0.02 0.00 0.00 57.03 57.31 1gwq h ASP 545 Cb 0.74 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 40.17 1gwq h ASP 545 CO 0.06 0.25 0.47 0.00 -1.72 0.00 0.00 179.24 178.29 1gwq h ALA 546 N 1.81 2.22 0.00 3.45 0.00 -1.49 -1.62 119.26 123.63 1gwq h ALA 546 Ca 0.09 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.75 1gwq h ALA 546 Cb 0.00 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 1gwq h ALA 546 CO -0.02 -0.41 -1.31 0.45 0.00 0.00 0.00 179.25 177.96 1gwq h HIS 547 N 0.30 0.00 -0.01 0.00 3.86 -1.50 -3.50 115.15 114.29 1gwq h HIS 547 Ca 0.33 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.54 1gwq h HIS 547 Cb 0.89 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.36 1gwq h HIS 547 CO -0.00 1.00 0.00 0.54 0.86 0.00 0.00 177.93 180.33