#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hkx n ILE 338 N 0.00 2.10 -3.83 1.09 5.41 -1.26 -4.91 119.36 117.96 1hkx n ILE 338 Ca 0.00 -1.70 -0.35 0.00 1.00 0.00 0.00 62.75 61.70 1hkx n ILE 338 Cb 0.00 -2.31 -0.05 0.00 -0.71 0.00 0.00 39.64 36.56 1hkx n ILE 338 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 1hkx s GLU 339 N 4.51 3.51 -0.08 0.38 2.56 -1.26 -4.72 118.70 123.59 1hkx s GLU 339 Ca 0.53 -0.13 -0.02 0.00 0.00 0.00 0.00 54.97 55.35 1hkx s GLU 339 Cb 0.14 -3.14 0.00 0.00 2.00 0.00 0.00 34.13 33.13 1hkx s GLU 339 CO 0.07 0.71 0.09 -3.47 -0.56 0.00 0.00 175.26 172.10 1hkx n ASP 340 N 1.45 -2.87 0.00 -1.70 4.64 -1.26 -5.01 116.55 111.80 1hkx n ASP 340 Ca -0.15 0.05 0.00 0.00 -1.38 0.00 0.00 54.79 53.31 1hkx n ASP 340 Cb 0.54 -1.64 0.00 0.00 -1.04 0.00 0.00 41.12 38.97 1hkx n ASP 340 CO 0.00 0.00 0.00 -1.84 -0.82 0.00 0.00 177.20 174.54 1hkx n GLU 341 N -0.69 -0.23 0.25 -0.67 -0.00 -1.26 -4.51 120.64 113.52 1hkx n GLU 341 Ca 0.01 -0.37 0.14 0.00 -0.00 0.00 0.00 57.16 56.95 1hkx n GLU 341 Cb 0.22 -0.86 0.51 0.00 -0.00 0.00 0.00 31.44 31.31 1hkx n GLU 341 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.13 177.51 1hkx h ASP 342 N 0.00 0.00 0.45 -1.84 2.03 -1.98 -0.85 116.42 114.23 1hkx h ASP 342 Ca 0.00 0.00 -0.06 0.00 -0.73 0.00 0.00 57.03 56.24 1hkx h ASP 342 Cb 0.09 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.58 1hkx h ASP 342 CO 0.00 0.06 -0.29 0.71 -1.03 0.00 0.00 179.24 178.69 1hkx h THR 343 N 0.00 0.99 -0.29 1.15 1.35 -1.99 0.40 112.91 114.52 1hkx h THR 343 Ca -0.00 -1.07 -0.06 0.00 -0.55 0.00 0.00 66.41 64.73 1hkx h THR 343 Cb 0.69 1.62 -0.01 0.00 -1.73 0.00 0.00 68.15 68.72 1hkx h THR 343 CO 0.01 0.28 -0.05 0.50 -0.25 0.00 0.00 175.52 176.01 1hkx h LYS 344 N 0.00 0.55 0.00 4.72 1.63 -1.45 -1.42 116.57 120.59 1hkx h LYS 344 Ca -0.00 -0.20 -0.16 0.00 -0.85 0.00 0.00 60.65 59.44 1hkx h LYS 344 Cb 0.59 -0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 32.16 1hkx h LYS 344 CO 0.04 0.73 -0.76 -0.39 -3.45 0.00 0.00 179.45 175.61 1hkx h VAL 345 N 0.32 1.41 -0.55 2.00 -1.51 -1.25 -2.62 116.25 114.05 1hkx h VAL 345 Ca 0.08 -2.74 -0.10 0.00 -1.23 0.00 0.00 66.70 62.71 1hkx h VAL 345 Cb 0.52 2.54 -0.02 0.00 -2.13 0.00 0.00 31.29 32.19 1hkx h VAL 345 CO 0.02 0.75 -0.04 0.03 -1.23 0.00 0.00 177.57 177.11 1hkx h ARG 346 N 0.00 0.99 -0.45 5.19 3.08 -0.14 -0.73 114.38 122.33 1hkx h ARG 346 Ca -0.01 -0.34 -0.11 0.00 0.07 0.00 0.00 59.98 59.59 1hkx h ARG 346 Cb 1.47 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 31.43 1hkx h ARG 346 CO 0.10 1.01 -0.17 0.87 -1.07 0.00 0.00 179.97 180.71 1hkx h LYS 347 N 0.87 0.87 -0.06 0.04 1.57 -1.24 -1.84 116.57 116.78 1hkx h LYS 347 Ca 0.15 -0.33 -0.07 0.00 -1.87 0.00 0.00 60.65 58.53 1hkx h LYS 347 Cb 0.59 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 1hkx h LYS 347 CO 0.04 0.97 -0.28 0.37 -0.57 0.00 0.00 179.45 179.97 1hkx h GLN 348 N 0.76 0.11 -0.13 3.15 5.75 -1.26 0.28 115.11 123.78 1hkx h GLN 348 Ca 0.11 -0.04 -0.00 0.00 -0.15 0.00 0.00 58.65 58.58 1hkx h GLN 348 Cb 0.69 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.23 1hkx h GLN 348 CO 0.05 0.39 0.08 1.49 -2.65 0.00 0.00 178.83 178.19 1hkx h GLU 349 N 0.10 0.18 -0.69 1.69 4.57 -0.47 -0.47 114.58 119.50 1hkx h GLU 349 Ca 0.02 -0.02 -0.08 0.00 -1.18 0.00 0.00 59.36 58.10 1hkx h GLU 349 Cb 0.55 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 29.08 1hkx h GLU 349 CO 0.04 0.17 0.12 0.82 -1.18 0.00 0.00 179.01 178.99 1hkx h ILE 350 N 0.14 1.26 -0.41 2.32 5.03 -0.62 -2.44 117.51 122.79 1hkx h ILE 350 Ca 0.05 -1.03 -0.04 0.00 -0.12 0.00 0.00 64.86 63.72 1hkx h ILE 350 Cb 0.04 0.60 -0.02 0.00 -3.03 0.00 0.00 36.82 34.41 1hkx h ILE 350 CO -0.01 0.39 0.09 0.40 -0.68 0.00 0.00 178.15 178.34 1hkx h ILE 351 N 1.06 1.19 -0.27 -0.67 2.04 -0.66 -1.81 117.51 118.39 1hkx h ILE 351 Ca 0.21 -0.69 -0.08 0.00 1.00 0.00 0.00 64.86 65.31 1hkx h ILE 351 Cb 0.43 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 1hkx h ILE 351 CO 0.01 0.25 -0.13 0.50 0.00 0.00 0.00 178.15 178.78 1hkx h LYS 352 N 0.60 0.56 -0.22 2.37 3.64 -0.69 -1.45 116.57 121.39 1hkx h LYS 352 Ca 0.14 -0.25 -0.09 0.00 -1.27 0.00 0.00 60.65 59.18 1hkx h LYS 352 Cb 0.24 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 1hkx h LYS 352 CO -0.00 0.81 -0.25 -0.39 -2.27 0.00 0.00 179.45 177.35 1hkx h VAL 353 N 0.30 1.26 -0.54 2.00 -1.51 -1.27 0.44 116.25 116.92 1hkx h VAL 353 Ca 0.06 -1.22 -0.08 0.00 -1.23 0.00 0.00 66.70 64.23 1hkx h VAL 353 Cb 0.64 1.37 -0.02 0.00 -2.13 0.00 0.00 31.29 31.15 1hkx h VAL 353 CO 0.04 0.38 0.04 0.74 -1.23 0.00 0.00 177.57 177.54 1hkx h THR 354 N 0.36 1.26 -0.62 7.19 2.02 -1.23 0.22 112.91 122.12 1hkx h THR 354 Ca 0.06 -1.05 -0.04 0.00 0.77 0.00 0.00 66.41 66.15 1hkx h THR 354 Cb 0.64 0.88 -0.03 0.00 -1.74 0.00 0.00 68.15 67.90 1hkx h THR 354 CO 0.05 0.37 0.23 -0.33 0.37 0.00 0.00 175.52 176.21 1hkx h GLU 355 N 0.80 0.94 -0.47 6.66 5.08 -0.88 -0.56 114.58 126.15 1hkx h GLU 355 Ca 0.16 -0.18 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1hkx h GLU 355 Cb 0.48 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 1hkx h GLU 355 CO 0.02 0.81 0.20 1.96 -1.00 0.00 0.00 179.01 181.00 1hkx h GLN 356 N 0.87 0.70 -0.13 2.33 4.20 -0.52 -0.88 115.11 121.69 1hkx h GLN 356 Ca 0.20 -0.12 0.01 0.00 0.06 0.00 0.00 58.65 58.81 1hkx h GLN 356 Cb 0.23 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 1hkx h GLN 356 CO -0.01 0.61 0.04 1.25 -0.67 0.00 0.00 178.83 180.05 1hkx h LEU 357 N 0.62 0.05 -1.12 1.46 5.85 -0.22 -1.22 115.31 120.73 1hkx h LEU 357 Ca 0.16 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 1hkx h LEU 357 Cb 0.16 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.16 1hkx h LEU 357 CO -0.02 0.05 0.48 0.40 -0.34 0.00 0.00 178.44 179.01 1hkx h ILE 358 N 0.11 1.22 -0.52 4.05 2.04 -0.92 -0.99 117.51 122.50 1hkx h ILE 358 Ca 0.05 -0.49 -0.05 0.00 1.00 0.00 0.00 64.86 65.37 1hkx h ILE 358 Cb 0.03 0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 36.19 1hkx h ILE 358 CO -0.05 0.23 0.11 -0.33 0.00 0.00 0.00 178.15 178.11 1hkx h GLU 359 N 1.10 0.84 -0.39 2.37 5.08 -0.71 0.22 114.58 123.09 1hkx h GLU 359 Ca 0.29 -0.21 -0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1hkx h GLU 359 Cb -0.04 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 1hkx h GLU 359 CO -0.05 0.81 0.24 0.00 -1.00 0.00 0.00 179.01 179.01 1hkx h ALA 360 N 0.99 0.49 0.00 3.43 0.00 -0.75 0.80 119.26 124.23 1hkx h ALA 360 Ca 0.16 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1hkx h ALA 360 Cb 0.36 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1hkx h ALA 360 CO 0.00 -0.02 -0.00 0.82 0.00 0.00 0.00 179.25 180.06 1hkx h ILE 361 N 0.51 1.00 -0.00 0.00 2.04 -0.92 -0.73 117.51 119.40 1hkx h ILE 361 Ca 0.14 -0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.00 1hkx h ILE 361 Cb -0.01 1.00 -0.00 0.00 -0.74 0.00 0.00 36.82 37.08 1hkx h ILE 361 CO -0.03 0.00 0.00 -1.28 0.00 0.00 0.00 178.15 176.85 1hkx h SER 362 N -0.01 0.00 -0.60 1.72 0.87 -0.09 -1.65 113.55 113.79 1hkx h SER 362 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1hkx h SER 362 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1hkx h SER 362 CO 0.00 0.00 0.00 0.59 -0.53 0.00 0.00 176.83 176.89 1hkx n ASN 363 N -4.40 3.49 -2.04 6.23 3.02 0.23 -4.93 115.26 116.85 1hkx n ASN 363 Ca -0.03 -1.99 -0.21 0.00 -0.03 0.00 0.00 54.58 52.32 1hkx n ASN 363 Cb 0.09 -0.40 -0.05 0.00 -0.61 0.00 0.00 39.78 38.81 1hkx n ASN 363 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1hkx n GLY 364 N 1.54 0.63 3.49 7.41 0.00 -0.62 -4.90 105.19 112.73 1hkx n GLY 364 Ca 0.22 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.80 1hkx n GLY 364 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1hkx s ASP 365 N -2.38 6.92 0.46 1.61 3.68 -0.34 -4.84 116.67 121.78 1hkx s ASP 365 Ca 0.00 -2.63 0.12 0.00 2.13 0.00 0.00 52.55 52.17 1hkx s ASP 365 Cb 0.00 -2.44 1.05 0.00 -1.45 0.00 0.00 42.92 40.07 1hkx s ASP 365 CO 0.00 -0.93 2.07 0.15 0.13 0.00 0.00 175.17 176.59 1hkx h PHE 366 N 7.69 0.18 0.19 -5.34 3.57 -1.91 -2.48 116.94 118.85 1hkx h PHE 366 Ca 0.30 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.79 1hkx h PHE 366 Cb 0.91 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.59 1hkx h PHE 366 CO 1.18 0.17 -0.09 0.93 -2.23 0.00 0.00 178.31 178.27 1hkx h GLU 367 N 0.19 -0.24 -0.88 1.11 3.07 -1.97 -0.56 114.58 115.30 1hkx h GLU 367 Ca 0.05 0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 58.92 1hkx h GLU 367 Cb 0.08 0.05 -0.04 0.00 -0.84 0.00 0.00 28.75 28.00 1hkx h GLU 367 CO -0.00 -0.08 0.52 0.77 -1.40 0.00 0.00 179.01 178.82 1hkx h SER 368 N -0.36 1.06 0.45 1.42 0.02 -1.94 -2.08 113.55 112.12 1hkx h SER 368 Ca -0.03 -0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 60.85 1hkx h SER 368 Cb 0.28 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.53 1hkx h SER 368 CO 0.04 0.82 -0.37 0.22 -1.14 0.00 0.00 176.83 176.40 1hkx h TYR 369 N 1.21 -1.00 -0.63 3.45 3.20 -1.15 -2.11 116.97 119.95 1hkx h TYR 369 Ca 0.31 0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.25 1hkx h TYR 369 Cb -0.03 0.38 -0.04 0.00 1.54 0.00 0.00 36.73 38.58 1hkx h TYR 369 CO 0.01 -0.53 0.42 1.79 -1.64 0.00 0.00 178.16 178.20 1hkx h THR 370 N -0.82 0.99 -0.18 1.81 1.35 -0.91 0.18 112.91 115.33 1hkx h THR 370 Ca -0.04 -0.20 -0.01 0.00 -0.55 0.00 0.00 66.41 65.61 1hkx h THR 370 Cb 0.71 0.34 -0.01 0.00 -1.73 0.00 0.00 68.15 67.46 1hkx h THR 370 CO -0.02 0.11 0.08 0.50 -0.25 0.00 0.00 175.52 175.94 1hkx h LYS 371 N 0.60 0.24 -0.01 4.72 3.11 -0.88 -2.01 116.57 122.33 1hkx h LYS 371 Ca 0.27 -0.02 0.00 0.00 -2.81 0.00 0.00 60.65 58.09 1hkx h LYS 371 Cb 0.31 -0.05 0.00 0.00 -1.00 0.00 0.00 32.23 31.49 1hkx h LYS 371 CO -0.08 0.20 -0.27 -1.33 -2.81 0.00 0.00 179.45 175.15 1hkx n MET 372 N -4.47 1.02 -4.63 1.90 2.81 0.58 -4.91 117.12 109.41 1hkx n MET 372 Ca -0.00 -0.67 -0.33 0.00 -1.81 0.00 0.00 57.70 54.89 1hkx n MET 372 Cb 0.11 -1.49 -0.11 0.00 -0.71 0.00 0.00 33.22 31.02 1hkx n MET 372 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1hkx s ASP 374 N -0.98 7.13 0.42 0.00 3.68 -0.22 -4.81 116.67 121.89 1hkx s ASP 374 Ca 0.14 2.33 0.17 0.00 2.13 0.00 0.00 52.55 57.31 1hkx s ASP 374 Cb -0.11 -2.63 1.06 0.00 -1.45 0.00 0.00 42.92 39.80 1hkx s ASP 374 CO 0.03 -0.25 1.89 -0.65 0.13 0.00 0.00 175.17 176.32 1hkx h PRO 375 N 3.62 0.41 -0.99 4.34 0.11 -1.91 -0.04 132.00 137.54 1hkx h PRO 375 Ca -0.47 -0.02 -0.38 0.00 0.11 0.00 0.00 66.00 65.23 1hkx h PRO 375 Cb 1.22 -0.09 -0.23 0.00 0.11 0.00 0.00 31.00 32.01 1hkx h PRO 375 CO 0.66 0.27 0.49 0.41 -0.21 0.00 0.00 178.00 179.62 1hkx n GLY 376 N -1.52 3.85 3.76 -0.55 0.00 -1.26 -4.13 105.19 105.33 1hkx n GLY 376 Ca 0.17 -0.81 -0.41 0.00 0.00 0.00 0.00 46.02 44.96 1hkx n GLY 376 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1hkx n MET 377 N -0.71 2.51 -4.40 1.61 0.00 -0.03 -4.70 117.12 111.40 1hkx n MET 377 Ca 0.44 0.88 -0.30 0.00 0.00 0.00 0.00 57.70 58.73 1hkx n MET 377 Cb 1.38 -2.58 -0.12 0.00 0.00 0.00 0.00 33.22 31.89 1hkx n MET 377 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 175.97 176.96 1hkx s THR 378 N -1.12 2.70 -0.05 1.12 2.01 -0.86 -0.76 115.64 118.69 1hkx s THR 378 Ca 0.54 -1.50 -0.20 0.00 0.31 0.00 0.00 61.69 60.84 1hkx s THR 378 Cb -0.50 -2.21 0.04 0.00 0.01 0.00 0.00 72.50 69.85 1hkx s THR 378 CO 0.63 0.15 0.46 0.00 -0.69 0.00 0.00 174.62 175.17 1hkx s ALA 379 N -1.08 -1.18 -0.13 7.40 0.00 -0.05 -1.84 121.76 124.89 1hkx s ALA 379 Ca 0.16 0.82 0.01 0.00 0.00 0.00 0.00 51.96 52.96 1hkx s ALA 379 Cb -0.10 -0.09 0.02 0.00 0.00 0.00 0.00 23.12 22.94 1hkx s ALA 379 CO 0.08 -0.29 -0.16 -0.06 0.00 0.00 0.00 175.76 175.34 1hkx s PHE 380 N -1.03 2.14 0.00 0.00 2.99 -0.74 -1.15 117.98 120.19 1hkx s PHE 380 Ca -0.11 -1.11 -0.29 0.00 0.00 0.00 0.00 56.93 55.43 1hkx s PHE 380 Cb -0.03 -1.55 0.07 0.00 0.00 0.00 0.00 43.02 41.52 1hkx s PHE 380 CO 0.06 -0.58 0.68 -1.83 -0.00 0.00 0.00 175.22 173.55 1hkx s GLU 381 N 1.18 1.09 0.32 0.44 -1.05 -1.26 -0.49 118.70 118.93 1hkx s GLU 381 Ca -0.02 0.05 0.09 0.00 -0.15 0.00 0.00 54.97 54.95 1hkx s GLU 381 Cb -0.14 0.51 0.92 0.00 -0.44 0.00 0.00 34.13 34.98 1hkx s GLU 381 CO -0.06 -0.38 1.67 -1.35 0.95 0.00 0.00 175.26 176.09 1hkx h PRO 382 N 2.70 0.32 0.00 -4.83 0.11 -1.91 0.18 132.00 128.57 1hkx h PRO 382 Ca -0.28 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1hkx h PRO 382 Cb 1.19 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1hkx h PRO 382 CO 0.38 0.21 0.00 0.93 -0.21 0.00 0.00 178.00 179.31 1hkx h GLU 383 N 0.33 0.00 -0.42 1.05 3.07 -1.94 -2.02 114.58 114.65 1hkx h GLU 383 Ca 0.65 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.51 1hkx h GLU 383 Cb 1.39 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.30 1hkx h GLU 383 CO -0.60 0.00 0.00 0.00 -1.40 0.00 0.00 179.01 177.01 1hkx n ALA 384 N -1.98 2.44 -4.13 3.43 0.00 0.64 -4.98 120.51 115.94 1hkx n ALA 384 Ca -0.01 -0.80 -0.30 0.00 0.00 0.00 0.00 53.44 52.33 1hkx n ALA 384 Cb 0.15 -0.98 -0.04 0.00 0.00 0.00 0.00 19.45 18.58 1hkx n ALA 384 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1hkx n LEU 385 N 0.87 -1.77 0.00 0.00 4.77 -0.76 -1.33 117.00 118.79 1hkx n LEU 385 Ca 0.17 -1.08 0.00 0.00 -0.03 0.00 0.00 56.01 55.07 1hkx n LEU 385 Cb 0.42 -2.03 0.00 0.00 -2.33 0.00 0.00 43.42 39.48 1hkx n LEU 385 CO 0.12 0.39 0.00 0.61 -1.33 0.00 0.00 177.39 177.18 1hkx n GLY 386 N -1.93 0.91 3.90 -0.72 0.00 -1.26 -5.04 105.19 101.05 1hkx n GLY 386 Ca -0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.49 1hkx n GLY 386 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1hkx s ASN 387 N -3.01 6.34 -0.29 1.61 0.01 -0.44 -5.07 114.94 114.09 1hkx s ASN 387 Ca 0.00 0.31 -0.23 0.00 -0.71 0.00 0.00 52.86 52.23 1hkx s ASN 387 Cb 0.00 -1.97 -0.00 0.00 0.41 0.00 0.00 41.25 39.69 1hkx s ASN 387 CO 0.00 0.23 0.78 -0.22 -1.51 0.00 0.00 177.10 176.38 1hkx s LEU 388 N -2.13 4.08 0.02 0.60 0.20 -1.26 -4.63 118.68 115.56 1hkx s LEU 388 Ca 0.30 0.73 -0.03 0.00 0.69 0.00 0.00 54.13 55.81 1hkx s LEU 388 Cb -0.13 -3.07 -0.04 0.00 -0.43 0.00 0.00 46.19 42.52 1hkx s LEU 388 CO 0.22 -0.57 0.22 -0.69 -0.29 0.00 0.00 176.35 175.24 1hkx s VAL 389 N 2.88 5.38 0.14 1.68 1.01 -0.30 -4.91 120.40 126.27 1hkx s VAL 389 Ca 0.32 -0.12 0.10 0.00 0.00 0.00 0.00 61.98 62.27 1hkx s VAL 389 Cb -0.14 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 1hkx s VAL 389 CO 0.11 0.27 -0.19 -1.61 0.00 0.00 0.00 175.10 173.68 1hkx s GLU 390 N -2.08 1.72 0.12 2.72 2.02 -1.26 -0.87 118.70 121.08 1hkx s GLU 390 Ca 0.30 -1.26 0.00 0.00 0.02 0.00 0.00 54.97 54.03 1hkx s GLU 390 Cb -0.13 -2.05 0.00 0.00 0.10 0.00 0.00 34.13 32.05 1hkx s GLU 390 CO 0.21 0.46 0.00 0.41 0.02 0.00 0.00 175.26 176.35 1hkx n GLY 391 N 0.64 -1.66 0.01 -1.39 0.00 0.06 -4.58 105.19 98.27 1hkx n GLY 391 Ca -0.15 -1.41 0.11 0.00 0.00 0.00 0.00 46.02 44.57 1hkx n GLY 391 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1hkx n LEU 392 N -2.31 0.72 -0.27 0.99 4.32 -1.26 -4.39 117.00 114.79 1hkx n LEU 392 Ca -0.00 -0.23 0.08 0.00 -0.02 0.00 0.00 56.01 55.84 1hkx n LEU 392 Cb 0.21 -0.08 0.22 0.00 -1.62 0.00 0.00 43.42 42.15 1hkx n LEU 392 CO 0.00 0.15 1.02 -0.78 -1.22 0.00 0.00 177.39 176.56 1hkx h ASP 393 N 0.00 0.27 0.35 -1.43 3.58 -1.96 -0.63 116.42 116.59 1hkx h ASP 393 Ca 0.00 0.13 -0.06 0.00 0.42 0.00 0.00 57.03 57.52 1hkx h ASP 393 Cb 0.59 0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.75 1hkx h ASP 393 CO 0.00 0.06 -0.27 0.15 -2.88 0.00 0.00 179.24 176.29 1hkx h PHE 394 N 0.42 0.00 0.01 0.28 3.04 -1.81 -3.06 116.94 115.81 1hkx h PHE 394 Ca 0.46 0.00 -0.25 0.00 3.98 0.00 0.00 57.97 62.16 1hkx h PHE 394 Cb 0.77 0.00 -0.04 0.00 2.56 0.00 0.00 35.95 39.25 1hkx h PHE 394 CO -0.17 0.27 -1.32 0.45 -2.02 0.00 0.00 178.31 175.52 1hkx h HIS 395 N 0.00 0.03 -0.80 0.41 -0.00 -1.42 -3.37 115.15 110.01 1hkx h HIS 395 Ca -0.00 -0.03 0.18 0.00 -0.00 0.00 0.00 60.37 60.52 1hkx h HIS 395 Cb 0.52 -0.00 -0.15 0.00 -0.00 0.00 0.00 27.41 27.79 1hkx h HIS 395 CO 0.00 1.03 -0.08 -0.09 -0.00 0.00 0.00 177.93 178.79 1hkx h ARG 396 N 0.01 0.05 -0.69 2.45 2.43 -1.25 -1.20 114.38 116.17 1hkx h ARG 396 Ca -0.14 -0.00 0.15 0.00 -0.81 0.00 0.00 59.98 59.18 1hkx h ARG 396 Cb 1.89 -0.01 -0.11 0.00 -0.42 0.00 0.00 29.97 31.32 1hkx h ARG 396 CO 0.11 0.03 0.13 0.35 -1.51 0.00 0.00 179.97 179.08 1hkx h PHE 397 N 0.05 0.20 0.00 2.20 3.57 -1.72 0.16 116.94 121.39 1hkx h PHE 397 Ca 0.42 0.04 -0.09 0.00 3.53 0.00 0.00 57.97 61.87 1hkx h PHE 397 Cb 0.72 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.47 1hkx h PHE 397 CO -0.52 -0.10 -0.43 1.88 -2.23 0.00 0.00 178.31 176.91 1hkx h TYR 398 N 0.24 0.00 -0.04 0.41 -1.99 -1.46 0.17 116.97 114.29 1hkx h TYR 398 Ca 0.38 0.00 -0.04 0.00 2.00 0.00 0.00 58.73 61.07 1hkx h TYR 398 Cb 0.64 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.37 1hkx h TYR 398 CO -0.28 0.43 -0.12 0.74 -0.00 0.00 0.00 178.16 178.93 1hkx h PHE 399 N 0.00 0.21 0.00 4.88 0.04 -0.92 -3.24 116.94 117.91 1hkx h PHE 399 Ca -0.00 -0.08 -0.04 0.00 2.80 0.00 0.00 57.97 60.64 1hkx h PHE 399 Cb 0.91 -0.04 -0.01 0.00 2.20 0.00 0.00 35.95 39.02 1hkx h PHE 399 CO 0.00 0.74 -0.21 0.93 -0.60 0.00 0.00 178.31 179.17 1hkx h GLU 400 N -0.38 0.00 -2.65 1.51 5.08 -0.58 -3.26 114.58 114.30 1hkx h GLU 400 Ca -0.00 0.00 -0.70 0.00 -1.00 0.00 0.00 59.36 57.66 1hkx h GLU 400 Cb 0.74 0.00 -0.36 0.00 0.50 0.00 0.00 28.75 29.63 1hkx h GLU 400 CO 0.03 0.21 0.01 0.09 -1.00 0.00 0.00 179.01 178.35 1hkx n ASN 401 N -3.42 4.85 0.00 1.42 5.03 0.58 -3.60 115.26 120.12 1hkx n ASN 401 Ca -0.00 -3.38 0.00 0.00 0.87 0.00 0.00 54.58 52.06 1hkx n ASN 401 Cb 0.40 -0.96 0.00 0.00 -1.02 0.00 0.00 39.78 38.20 1hkx n ASN 401 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.26 175.32 1hkx n LEU 402 N 1.26 0.00 0.00 3.41 7.94 -1.25 -4.81 117.00 123.55 1hkx n LEU 402 Ca 0.27 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.17 1hkx n LEU 402 Cb 0.37 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.32 1hkx n LEU 402 CO 0.52 0.00 0.00 0.79 -1.11 0.00 0.00 177.39 177.59 1hkx n TRP 403 N 0.00 0.00 -1.72 1.96 5.03 -1.23 -0.35 117.44 121.12 1hkx n TRP 403 Ca 0.00 0.00 -0.40 0.00 3.03 0.00 0.00 57.50 60.13 1hkx n TRP 403 Cb 0.00 -0.05 -0.01 0.00 -1.03 0.00 0.00 31.31 30.21 1hkx n TRP 403 CO 0.00 0.00 0.00 -1.13 -0.03 0.00 0.00 177.69 176.53 1hkx n SER 404 N -0.75 7.95 0.26 -0.99 3.41 -1.26 -4.66 113.62 117.57 1hkx n SER 404 Ca 0.00 -2.89 0.18 0.00 -0.26 0.00 0.00 58.87 55.90 1hkx n SER 404 Cb 0.00 -1.46 0.87 0.00 -0.26 0.00 0.00 64.21 63.36 1hkx n SER 404 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1hkx h ARG 405 N 4.91 0.00 -0.30 4.33 -0.00 -1.07 -1.92 114.38 120.33 1hkx h ARG 405 Ca 0.75 0.00 0.09 0.00 -0.50 0.00 0.00 59.98 60.32 1hkx h ARG 405 Cb 0.33 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.29 1hkx h ARG 405 CO 1.64 0.00 0.53 -0.97 0.00 0.00 0.00 179.97 181.17 1hkx h ASN 406 N 0.00 0.00 0.00 7.04 -0.73 -1.85 -2.55 115.58 117.49 1hkx h ASN 406 Ca 0.06 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.23 1hkx h ASN 406 Cb 0.59 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.18 1hkx h ASN 406 CO -0.00 0.00 0.00 -1.54 -0.37 0.00 0.00 177.43 175.52 1hkx n SER 407 N -3.28 0.04 0.00 1.15 3.41 -0.73 -4.42 113.62 109.80 1hkx n SER 407 Ca 0.05 -0.08 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 1hkx n SER 407 Cb 0.66 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.59 1hkx n SER 407 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 1hkx n LYS 408 N 0.51 0.00 -2.08 4.33 0.00 -0.96 -4.80 118.16 115.17 1hkx n LYS 408 Ca 0.00 0.00 -0.36 0.00 -0.00 0.00 0.00 58.31 57.95 1hkx n LYS 408 Cb 0.01 0.00 0.02 0.00 -0.00 0.00 0.00 35.03 35.06 1hkx n LYS 408 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.40 175.26 1hkx s PRO 409 N -0.35 3.26 -0.15 -1.58 0.02 -1.26 -4.93 135.00 130.01 1hkx s PRO 409 Ca 0.00 1.85 -0.02 0.00 0.02 0.00 0.00 61.00 62.85 1hkx s PRO 409 Cb 0.00 -2.12 0.05 0.00 0.02 0.00 0.00 34.50 32.45 1hkx s PRO 409 CO 0.00 -0.98 0.01 0.08 -0.33 0.00 0.00 177.00 175.78 1hkx s VAL 410 N -1.56 0.58 -0.10 3.83 1.01 -1.26 -4.17 120.40 118.73 1hkx s VAL 410 Ca 0.72 -0.34 0.01 0.00 0.00 0.00 0.00 61.98 62.37 1hkx s VAL 410 Cb -0.31 -0.91 -0.02 0.00 0.00 0.00 0.00 36.38 35.15 1hkx s VAL 410 CO 0.35 0.01 -0.12 -2.28 0.00 0.00 0.00 175.10 173.06 1hkx s HIS 411 N 1.86 2.81 0.00 5.22 5.04 -0.70 -4.99 115.29 124.53 1hkx s HIS 411 Ca 0.01 -0.43 0.07 0.00 -1.54 0.00 0.00 55.06 53.18 1hkx s HIS 411 Cb -0.15 -1.78 -0.03 0.00 0.04 0.00 0.00 32.58 30.66 1hkx s HIS 411 CO -0.07 -0.04 -0.21 0.99 -2.34 0.00 0.00 174.74 173.07 1hkx s THR 412 N -0.04 2.53 -0.03 0.89 2.01 -1.26 -0.88 115.64 118.86 1hkx s THR 412 Ca -0.02 -1.09 0.03 0.00 0.31 0.00 0.00 61.69 60.91 1hkx s THR 412 Cb -0.14 -1.99 0.00 0.00 0.01 0.00 0.00 72.50 70.38 1hkx s THR 412 CO 0.04 0.47 -0.12 -0.89 -0.69 0.00 0.00 174.62 173.43 1hkx s THR 413 N -0.77 1.03 -0.31 -0.82 2.01 -0.13 -5.00 115.64 111.66 1hkx s THR 413 Ca 0.12 -0.49 -0.08 0.00 0.31 0.00 0.00 61.69 61.55 1hkx s THR 413 Cb -0.10 -0.90 0.00 0.00 0.01 0.00 0.00 72.50 71.51 1hkx s THR 413 CO 0.02 0.31 0.12 -0.63 -0.69 0.00 0.00 174.62 173.75 1hkx s ILE 414 N 0.17 4.26 0.05 1.82 1.01 -1.26 -1.16 121.20 126.09 1hkx s ILE 414 Ca -0.04 -0.59 0.03 0.00 0.00 0.00 0.00 60.65 60.05 1hkx s ILE 414 Cb -0.10 -3.20 -0.04 0.00 0.01 0.00 0.00 42.46 39.13 1hkx s ILE 414 CO 0.01 0.06 0.00 -0.76 0.00 0.00 0.00 174.94 174.25 1hkx s LEU 415 N 1.55 3.49 -1.47 2.97 1.43 -0.19 -4.72 118.68 121.74 1hkx s LEU 415 Ca 0.03 -0.10 -0.00 0.00 -1.03 0.00 0.00 54.13 53.03 1hkx s LEU 415 Cb -0.17 -2.13 0.00 0.00 0.03 0.00 0.00 46.19 43.92 1hkx s LEU 415 CO 0.04 0.22 0.24 -3.20 0.23 0.00 0.00 176.35 173.88 1hkx n ASN 416 N 0.90 0.23 -4.74 2.29 5.15 -1.26 -1.77 115.26 116.07 1hkx n ASN 416 Ca -0.12 -1.12 -0.37 0.00 -0.60 0.00 0.00 54.58 52.36 1hkx n ASN 416 Cb 0.52 -2.44 0.06 0.00 -0.53 0.00 0.00 39.78 37.39 1hkx n ASN 416 CO 0.00 0.00 0.00 -2.84 1.40 0.00 0.00 177.26 175.82 1hkx s PRO 417 N -6.90 2.79 -0.14 1.20 0.02 -1.26 -4.67 135.00 126.04 1hkx s PRO 417 Ca 0.00 2.09 -0.04 0.00 0.02 0.00 0.00 61.00 63.07 1hkx s PRO 417 Cb -0.00 -1.98 0.07 0.00 0.02 0.00 0.00 34.50 32.60 1hkx s PRO 417 CO 0.94 -1.42 0.21 -1.01 -0.33 0.00 0.00 177.00 175.39 1hkx s HIS 418 N -1.39 -0.28 -0.01 6.54 3.76 -0.63 -5.00 115.29 118.28 1hkx s HIS 418 Ca 0.79 0.59 0.00 0.00 -0.15 0.00 0.00 55.06 56.29 1hkx s HIS 418 Cb -0.38 -0.23 -0.04 0.00 1.11 0.00 0.00 32.58 33.05 1hkx s HIS 418 CO 0.41 -0.40 0.03 0.42 -0.85 0.00 0.00 174.74 174.35 1hkx s ILE 419 N 2.34 4.37 -0.17 0.60 1.09 -1.26 -1.54 121.20 126.64 1hkx s ILE 419 Ca 0.04 -0.49 0.01 0.00 -1.10 0.00 0.00 60.65 59.10 1hkx s ILE 419 Cb -0.13 -2.95 0.03 0.00 -1.06 0.00 0.00 42.46 38.35 1hkx s ILE 419 CO -0.09 0.40 -0.13 -1.00 -0.10 0.00 0.00 174.94 174.02 1hkx s HIS 420 N -1.10 2.29 -0.04 3.97 3.76 0.70 -4.99 115.29 119.89 1hkx s HIS 420 Ca 0.20 -1.37 -0.16 0.00 -0.15 0.00 0.00 55.06 53.58 1hkx s HIS 420 Cb -0.12 -1.63 -0.05 0.00 1.11 0.00 0.00 32.58 31.89 1hkx s HIS 420 CO 0.10 -0.70 0.42 -0.51 -0.85 0.00 0.00 174.74 173.20 1hkx s LEU 421 N 1.44 4.41 -0.37 0.89 1.43 -1.26 -1.09 118.68 124.14 1hkx s LEU 421 Ca 0.03 0.90 0.01 0.00 -1.03 0.00 0.00 54.13 54.04 1hkx s LEU 421 Cb -0.14 -2.60 0.14 0.00 0.03 0.00 0.00 46.19 43.62 1hkx s LEU 421 CO -0.10 0.23 0.23 -0.04 0.23 0.00 0.00 176.35 176.90 1hkx s MET 422 N -0.57 0.65 0.00 1.70 -1.94 0.63 -5.00 119.30 114.76 1hkx s MET 422 Ca 0.24 -1.48 0.00 0.00 -1.71 0.00 0.00 55.69 52.74 1hkx s MET 422 Cb -0.16 -1.39 0.00 0.00 2.01 0.00 0.00 34.83 35.29 1hkx s MET 422 CO 0.12 -1.23 0.00 0.41 -0.01 0.00 0.00 175.02 174.31 1hkx n GLY 423 N 3.85 -1.18 0.02 -0.03 0.00 -1.26 -3.06 105.19 103.52 1hkx n GLY 423 Ca 0.14 -1.59 0.12 0.00 0.00 0.00 0.00 46.02 44.70 1hkx n GLY 423 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1hkx n ASP 424 N -1.10 0.45 -0.30 1.61 8.00 -1.26 -3.92 116.55 120.03 1hkx n ASP 424 Ca 0.00 -0.18 0.03 0.00 0.71 0.00 0.00 54.79 55.35 1hkx n ASP 424 Cb 0.00 0.11 0.06 0.00 -0.02 0.00 0.00 41.12 41.27 1hkx n ASP 424 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1hkx n GLU 425 N -1.43 1.80 -3.84 -1.24 -0.58 -1.26 -4.83 120.64 109.25 1hkx n GLU 425 Ca 0.06 -1.45 -0.19 0.00 -0.42 0.00 0.00 57.16 55.17 1hkx n GLU 425 Cb 0.33 -1.13 -0.17 0.00 -0.57 0.00 0.00 31.44 29.91 1hkx n GLU 425 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1hkx s SER 426 N -0.81 0.87 0.07 1.62 0.15 -1.17 0.22 113.70 114.65 1hkx s SER 426 Ca 0.10 -0.02 0.01 0.00 0.70 0.00 0.00 55.95 56.74 1hkx s SER 426 Cb 0.06 -0.26 -0.04 0.00 -1.71 0.00 0.00 66.02 64.07 1hkx s SER 426 CO 0.08 -0.15 -0.06 0.00 1.20 0.00 0.00 173.24 174.31 1hkx s ALA 427 N 1.49 0.75 -0.04 5.45 0.00 0.12 -0.27 121.76 129.26 1hkx s ALA 427 Ca -0.03 -1.18 -0.01 0.00 0.00 0.00 0.00 51.96 50.74 1hkx s ALA 427 Cb -0.13 0.17 0.03 0.00 0.00 0.00 0.00 23.12 23.19 1hkx s ALA 427 CO -0.03 -0.23 0.02 0.00 0.00 0.00 0.00 175.76 175.52 1hkx s ILE 429 N 1.47 1.49 -0.06 0.00 2.07 -0.55 -0.22 121.20 125.40 1hkx s ILE 429 Ca -0.04 -0.76 0.02 0.00 -1.41 0.00 0.00 60.65 58.47 1hkx s ILE 429 Cb -0.13 -1.27 0.01 0.00 0.13 0.00 0.00 42.46 41.20 1hkx s ILE 429 CO -0.03 0.43 -0.13 0.00 -1.91 0.00 0.00 174.94 173.30 1hkx s ALA 430 N -0.06 1.31 0.21 1.50 0.00 -0.59 -0.64 121.76 123.49 1hkx s ALA 430 Ca -0.02 -0.45 -0.16 0.00 0.00 0.00 0.00 51.96 51.33 1hkx s ALA 430 Cb -0.11 -0.57 0.02 0.00 0.00 0.00 0.00 23.12 22.46 1hkx s ALA 430 CO 0.02 0.13 0.51 1.52 0.00 0.00 0.00 175.76 177.94 1hkx s TYR 431 N 0.61 0.01 -0.10 0.00 -0.85 -0.64 -1.60 117.35 114.78 1hkx s TYR 431 Ca -0.14 -0.37 -0.15 0.00 -0.52 0.00 0.00 57.07 55.88 1hkx s TYR 431 Cb -0.16 0.34 -0.05 0.00 0.38 0.00 0.00 41.96 42.47 1hkx s TYR 431 CO 0.04 -0.94 0.38 0.42 -1.52 0.00 0.00 175.55 173.93 1hkx s ILE 432 N -3.91 5.20 -0.29 -3.49 -1.09 -0.73 -1.37 121.20 115.52 1hkx s ILE 432 Ca 0.12 0.75 -0.06 0.00 -2.23 0.00 0.00 60.65 59.24 1hkx s ILE 432 Cb -0.01 -3.71 0.01 0.00 -1.58 0.00 0.00 42.46 37.17 1hkx s ILE 432 CO 0.00 0.43 0.05 -0.60 -1.23 0.00 0.00 174.94 173.60 1hkx s ARG 433 N 0.05 3.04 -0.18 2.79 3.52 0.11 -1.03 118.95 127.25 1hkx s ARG 433 Ca 0.22 -0.88 -0.05 0.00 -0.13 0.00 0.00 55.73 54.88 1hkx s ARG 433 Cb -0.15 -3.30 -0.03 0.00 -1.56 0.00 0.00 34.95 29.91 1hkx s ARG 433 CO 0.09 -0.44 0.01 0.42 -0.81 0.00 0.00 175.30 174.56 1hkx s ILE 434 N 1.47 4.15 -0.12 4.11 1.01 -0.31 -1.66 121.20 129.85 1hkx s ILE 434 Ca 0.02 -0.25 0.02 0.00 0.00 0.00 0.00 60.65 60.44 1hkx s ILE 434 Cb -0.17 -2.86 -0.00 0.00 0.01 0.00 0.00 42.46 39.44 1hkx s ILE 434 CO 0.01 0.45 -0.20 -0.89 0.00 0.00 0.00 174.94 174.32 1hkx s THR 435 N 0.64 2.39 -0.26 2.92 2.01 -0.24 -0.95 115.64 122.14 1hkx s THR 435 Ca -0.00 -0.89 -0.06 0.00 0.31 0.00 0.00 61.69 61.05 1hkx s THR 435 Cb -0.14 -1.96 -0.01 0.00 0.01 0.00 0.00 72.50 70.40 1hkx s THR 435 CO 0.02 0.54 0.04 -1.10 -0.69 0.00 0.00 174.62 173.44 1hkx s GLN 436 N 0.53 3.33 0.19 4.92 -0.21 -0.06 -1.22 119.66 127.15 1hkx s GLN 436 Ca -0.12 -0.68 0.00 0.00 0.02 0.00 0.00 55.36 54.58 1hkx s GLN 436 Cb -0.17 -3.26 -0.04 0.00 1.00 0.00 0.00 33.01 30.54 1hkx s GLN 436 CO 0.04 -0.30 0.07 1.52 -2.12 0.00 0.00 175.29 174.50 1hkx s TYR 437 N 1.53 1.22 0.00 0.91 -0.85 -1.03 -1.72 117.35 117.41 1hkx s TYR 437 Ca 0.04 -1.20 0.00 0.00 -0.52 0.00 0.00 57.07 55.40 1hkx s TYR 437 Cb -0.16 -0.67 0.00 0.00 0.38 0.00 0.00 41.96 41.51 1hkx s TYR 437 CO 0.01 -0.42 0.00 1.28 -1.52 0.00 0.00 175.55 174.91 1hkx n LEU 438 N -0.28 0.00 0.00 -3.49 4.77 -1.26 -1.82 117.00 114.92 1hkx n LEU 438 Ca -0.02 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.01 1hkx n LEU 438 Cb 0.65 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.73 1hkx n LEU 438 CO 0.34 0.00 -0.07 0.47 -1.33 0.00 0.00 177.39 176.80 1hkx n ASP 439 N 0.00 -5.79 -3.47 -1.43 8.00 -1.26 -4.68 116.55 107.91 1hkx n ASP 439 Ca 0.00 0.40 -0.16 0.00 0.71 0.00 0.00 54.79 55.74 1hkx n ASP 439 Cb 0.00 -1.15 0.00 0.00 -0.02 0.00 0.00 41.12 39.95 1hkx n ASP 439 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1hkx n ALA 440 N -0.61 -2.68 -2.74 2.24 0.00 -1.26 -2.40 120.51 113.07 1hkx n ALA 440 Ca 0.00 -0.06 -0.14 0.00 0.00 0.00 0.00 53.44 53.24 1hkx n ALA 440 Cb 0.17 -1.24 0.02 0.00 0.00 0.00 0.00 19.45 18.40 1hkx n ALA 440 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hkx n GLY 441 N -1.52 -0.06 2.51 0.00 0.00 -1.26 -2.92 105.19 101.95 1hkx n GLY 441 Ca -0.17 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.63 1hkx n GLY 441 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hkx n GLY 442 N -1.23 0.00 3.78 -0.02 0.00 -1.01 -4.87 105.19 101.84 1hkx n GLY 442 Ca -0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.58 1hkx n GLY 442 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1hkx s ILE 443 N -0.38 4.08 0.01 -0.61 1.01 -1.11 -4.56 121.20 119.63 1hkx s ILE 443 Ca 0.00 1.74 -0.30 0.00 0.00 0.00 0.00 60.65 62.08 1hkx s ILE 443 Cb 0.00 -3.97 -0.05 0.00 0.01 0.00 0.00 42.46 38.45 1hkx s ILE 443 CO 0.00 0.15 1.32 -2.84 0.00 0.00 0.00 174.94 173.57 1hkx s PRO 444 N -2.05 4.33 0.10 2.79 0.02 -1.26 -4.25 135.00 134.68 1hkx s PRO 444 Ca 0.51 1.87 0.02 0.00 0.02 0.00 0.00 61.00 63.42 1hkx s PRO 444 Cb -0.20 -3.50 -0.04 0.00 0.02 0.00 0.00 34.50 30.78 1hkx s PRO 444 CO 0.26 -0.48 -0.08 1.03 -0.33 0.00 0.00 177.00 177.40 1hkx s ARG 445 N 2.01 0.86 -0.06 5.54 0.52 -0.76 -5.03 118.95 122.04 1hkx s ARG 445 Ca 0.61 -1.30 0.04 0.00 -0.52 0.00 0.00 55.73 54.56 1hkx s ARG 445 Cb -0.30 -0.33 -0.00 0.00 0.52 0.00 0.00 34.95 34.84 1hkx s ARG 445 CO 0.26 0.02 -0.19 0.99 0.02 0.00 0.00 175.30 176.40 1hkx s THR 446 N -3.29 1.60 0.04 0.02 2.01 -1.26 -2.47 115.64 112.29 1hkx s THR 446 Ca 0.11 -0.80 0.09 0.00 0.31 0.00 0.00 61.69 61.40 1hkx s THR 446 Cb 0.03 -1.38 -0.03 0.00 0.01 0.00 0.00 72.50 71.13 1hkx s THR 446 CO -0.03 0.46 -0.26 0.00 -0.69 0.00 0.00 174.62 174.10 1hkx s ALA 447 N 0.12 2.26 0.05 7.40 0.00 -0.36 -4.97 121.76 126.26 1hkx s ALA 447 Ca -0.07 -1.25 0.08 0.00 0.00 0.00 0.00 51.96 50.72 1hkx s ALA 447 Cb -0.13 -0.50 -0.03 0.00 0.00 0.00 0.00 23.12 22.46 1hkx s ALA 447 CO 0.04 0.54 -0.22 -1.14 0.00 0.00 0.00 175.76 174.97 1hkx s GLN 448 N -1.16 1.46 -0.14 0.00 0.74 -1.26 -1.08 119.66 118.21 1hkx s GLN 448 Ca 0.12 -1.00 -0.20 0.00 0.05 0.00 0.00 55.36 54.33 1hkx s GLN 448 Cb -0.10 -1.61 0.05 0.00 1.10 0.00 0.00 33.01 32.45 1hkx s GLN 448 CO 0.02 0.41 0.51 -1.54 -0.55 0.00 0.00 175.29 174.13 1hkx s SER 449 N -1.27 -0.50 -0.15 6.67 1.04 -0.66 -4.49 113.70 114.34 1hkx s SER 449 Ca 0.08 0.82 -0.17 0.00 0.48 0.00 0.00 55.95 57.17 1hkx s SER 449 Cb -0.09 0.84 -0.04 0.00 0.10 0.00 0.00 66.02 66.83 1hkx s SER 449 CO 0.02 -0.30 0.42 -1.61 0.98 0.00 0.00 173.24 172.76 1hkx s GLU 450 N -0.25 4.29 0.02 4.02 8.01 -0.63 0.05 118.70 134.21 1hkx s GLU 450 Ca -0.04 0.33 0.05 0.00 0.01 0.00 0.00 54.97 55.32 1hkx s GLU 450 Cb -0.03 -3.46 -0.02 0.00 -4.31 0.00 0.00 34.13 26.31 1hkx s GLU 450 CO 0.03 0.13 -0.16 -1.21 0.01 0.00 0.00 175.26 174.06 1hkx s GLU 451 N 0.76 1.16 -0.09 1.61 2.02 -0.47 -0.45 118.70 123.23 1hkx s GLU 451 Ca 0.23 -0.71 0.03 0.00 0.02 0.00 0.00 54.97 54.54 1hkx s GLU 451 Cb -0.15 -1.17 0.01 0.00 0.10 0.00 0.00 34.13 32.92 1hkx s GLU 451 CO 0.08 0.30 -0.19 0.99 0.02 0.00 0.00 175.26 176.47 1hkx s THR 452 N -0.63 1.67 -0.10 3.63 2.01 -0.23 -1.62 115.64 120.36 1hkx s THR 452 Ca 0.05 -0.79 0.02 0.00 0.31 0.00 0.00 61.69 61.28 1hkx s THR 452 Cb -0.07 -1.47 0.01 0.00 0.01 0.00 0.00 72.50 70.98 1hkx s THR 452 CO 0.01 0.47 -0.16 -0.13 -0.69 0.00 0.00 174.62 174.12 1hkx s ARG 453 N 0.51 2.25 -0.27 4.92 1.81 0.18 -1.28 118.95 127.09 1hkx s ARG 453 Ca -0.16 -0.58 -0.08 0.00 -1.72 0.00 0.00 55.73 53.19 1hkx s ARG 453 Cb -0.17 -1.87 -0.02 0.00 -0.45 0.00 0.00 34.95 32.44 1hkx s ARG 453 CO 0.06 -0.02 0.09 0.08 -0.68 0.00 0.00 175.30 174.83 1hkx s VAL 454 N 0.85 4.31 -0.10 3.52 1.01 0.46 -1.48 120.40 128.98 1hkx s VAL 454 Ca -0.09 -0.28 -0.04 0.00 0.00 0.00 0.00 61.98 61.56 1hkx s VAL 454 Cb -0.15 -3.08 -0.04 0.00 0.00 0.00 0.00 36.38 33.11 1hkx s VAL 454 CO 0.00 0.26 0.07 0.26 0.00 0.00 0.00 175.10 175.69 1hkx s TRP 455 N 1.60 3.36 -0.05 5.22 0.52 0.96 -0.59 118.94 129.96 1hkx s TRP 455 Ca 0.06 0.34 0.01 0.00 0.02 0.00 0.00 56.10 56.53 1hkx s TRP 455 Cb -0.16 -1.85 0.02 0.00 -1.15 0.00 0.00 33.47 30.33 1hkx s TRP 455 CO 0.04 0.59 -0.06 -1.58 0.02 0.00 0.00 176.95 175.97 1hkx s HIS 456 N -0.97 0.87 -0.31 -1.98 2.46 0.15 -0.70 115.29 114.81 1hkx s HIS 456 Ca 0.15 -0.27 -0.28 0.00 0.47 0.00 0.00 55.06 55.13 1hkx s HIS 456 Cb -0.12 -0.74 0.01 0.00 -0.13 0.00 0.00 32.58 31.61 1hkx s HIS 456 CO 0.04 -0.21 1.01 0.50 -2.47 0.00 0.00 174.74 173.61 1hkx s ARG 457 N 0.91 4.05 -0.12 2.88 6.06 0.13 -0.81 118.95 132.05 1hkx s ARG 457 Ca -0.11 0.98 0.00 0.00 -2.50 0.00 0.00 55.73 54.10 1hkx s ARG 457 Cb -0.14 -3.73 0.02 0.00 0.06 0.00 0.00 34.95 31.15 1hkx s ARG 457 CO 0.00 -0.85 -0.12 0.50 -2.50 0.00 0.00 175.30 172.34 1hkx s ARG 458 N 3.49 1.99 -1.54 5.12 3.52 -0.58 -4.83 118.95 126.12 1hkx s ARG 458 Ca 0.43 -0.45 -0.06 0.00 -0.13 0.00 0.00 55.73 55.52 1hkx s ARG 458 Cb -0.13 -1.85 0.06 0.00 -1.56 0.00 0.00 34.95 31.47 1hkx s ARG 458 CO 0.14 -0.20 0.44 -0.25 -0.81 0.00 0.00 175.30 174.63 1hkx n ASP 459 N 4.67 -0.96 0.00 -2.12 8.00 -1.26 -2.40 116.55 122.48 1hkx n ASP 459 Ca -0.16 -1.07 0.00 0.00 0.71 0.00 0.00 54.79 54.26 1hkx n ASP 459 Cb 0.50 -2.61 0.00 0.00 -0.02 0.00 0.00 41.12 38.99 1hkx n ASP 459 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1hkx n GLY 460 N -1.90 2.96 3.86 0.44 0.00 -1.26 -5.04 105.19 104.25 1hkx n GLY 460 Ca -0.19 -0.79 -0.32 0.00 0.00 0.00 0.00 46.02 44.73 1hkx n GLY 460 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hkx s LYS 461 N 0.00 3.26 0.23 1.61 -2.85 -1.01 -5.06 119.74 115.91 1hkx s LYS 461 Ca 0.00 -0.47 -0.30 0.00 -1.00 0.00 0.00 55.97 54.20 1hkx s LYS 461 Cb 0.00 -2.96 -0.09 0.00 -2.06 0.00 0.00 37.83 32.73 1hkx s LYS 461 CO 0.00 0.62 1.04 -1.58 0.10 0.00 0.00 175.35 175.53 1hkx s TRP 462 N -1.39 3.73 0.03 1.78 0.52 -1.26 -1.53 118.94 120.82 1hkx s TRP 462 Ca 0.30 1.75 0.03 0.00 0.02 0.00 0.00 56.10 58.20 1hkx s TRP 462 Cb -0.13 -3.17 -0.02 0.00 -1.15 0.00 0.00 33.47 29.01 1hkx s TRP 462 CO 0.22 -0.18 -0.09 -0.65 0.02 0.00 0.00 176.95 176.27 1hkx s GLN 463 N -0.98 0.63 -0.02 4.98 -0.21 0.01 -4.81 119.66 119.26 1hkx s GLN 463 Ca 0.45 -0.62 -0.29 0.00 0.02 0.00 0.00 55.36 54.91 1hkx s GLN 463 Cb -0.29 -0.53 -0.03 0.00 1.00 0.00 0.00 33.01 33.16 1hkx s GLN 463 CO 0.36 0.12 0.96 0.42 -2.12 0.00 0.00 175.29 175.03 1hkx s ILE 464 N -0.90 4.87 -0.05 1.08 1.01 0.58 -0.67 121.20 127.13 1hkx s ILE 464 Ca -0.03 2.00 0.17 0.00 0.00 0.00 0.00 60.65 62.78 1hkx s ILE 464 Cb -0.07 -4.29 -0.25 0.00 0.01 0.00 0.00 42.46 37.85 1hkx s ILE 464 CO 0.01 0.14 0.32 0.55 0.00 0.00 0.00 174.94 175.96 1hkx n VAL 465 N 4.00 0.20 -3.60 2.92 3.14 0.24 -1.05 118.33 124.18 1hkx n VAL 465 Ca 0.06 -0.45 -0.11 0.00 -2.96 0.00 0.00 64.34 60.88 1hkx n VAL 465 Cb 0.51 -0.02 -0.06 0.00 -1.06 0.00 0.00 33.84 33.21 1hkx n VAL 465 CO 0.00 0.00 0.00 -2.28 -6.46 0.00 0.00 176.83 168.09 1hkx s HIS 466 N -3.05 -0.46 0.01 1.45 5.65 -1.22 -2.02 115.29 115.66 1hkx s HIS 466 Ca -0.07 0.95 -0.10 0.00 0.25 0.00 0.00 55.06 56.09 1hkx s HIS 466 Cb 0.10 0.40 0.01 0.00 -1.18 0.00 0.00 32.58 31.91 1hkx s HIS 466 CO 0.71 -0.32 0.20 -0.59 -0.65 0.00 0.00 174.74 174.08 1hkx s PHE 467 N -0.51 -0.00 -0.10 3.88 -0.12 -0.77 -0.40 117.98 119.96 1hkx s PHE 467 Ca -0.01 -0.10 -0.02 0.00 -0.05 0.00 0.00 56.93 56.76 1hkx s PHE 467 Cb -0.02 -0.01 0.03 0.00 -0.63 0.00 0.00 43.02 42.39 1hkx s PHE 467 CO -0.01 -0.37 0.01 -1.58 -0.05 0.00 0.00 175.22 173.22 1hkx s HIS 468 N -1.83 0.79 -0.16 3.49 2.46 -0.40 -1.79 115.29 117.85 1hkx s HIS 468 Ca -0.11 -0.35 -0.01 0.00 0.47 0.00 0.00 55.06 55.06 1hkx s HIS 468 Cb -0.05 -0.87 -0.01 0.00 -0.13 0.00 0.00 32.58 31.52 1hkx s HIS 468 CO 0.00 -0.40 -0.10 0.50 -2.47 0.00 0.00 174.74 172.27 1hkx s ARG 469 N 1.94 3.38 0.05 2.88 3.52 0.35 -1.07 118.95 130.01 1hkx s ARG 469 Ca 0.04 -0.66 0.07 0.00 -0.13 0.00 0.00 55.73 55.04 1hkx s ARG 469 Cb -0.13 -2.76 -0.03 0.00 -1.56 0.00 0.00 34.95 30.47 1hkx s ARG 469 CO -0.06 0.07 -0.16 0.45 -0.81 0.00 0.00 175.30 174.79 1hkx s SER 470 N 0.72 3.95 0.00 -2.12 0.15 0.40 -4.05 113.70 112.76 1hkx s SER 470 Ca -0.05 -0.41 0.00 0.00 0.70 0.00 0.00 55.95 56.20 1hkx s SER 470 Cb -0.15 -0.67 0.00 0.00 -1.71 0.00 0.00 66.02 63.48 1hkx s SER 470 CO 0.02 0.24 0.00 0.61 1.20 0.00 0.00 173.24 175.31 1hkx n GLY 471 N 1.38 0.85 0.00 9.45 0.00 -1.26 -1.60 105.19 114.01 1hkx n GLY 471 Ca -0.16 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.13 1hkx n GLY 471 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hkx n ALA 472 N -1.00 0.00 -0.58 4.61 0.00 -1.26 -4.90 120.51 117.37 1hkx n ALA 472 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.17 1hkx n ALA 472 Cb 0.00 0.00 0.17 0.00 0.00 0.00 0.00 19.45 19.62 1hkx n ALA 472 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1hkx n PRO 473 N 0.00 -2.14 -2.68 0.00 -0.02 -1.26 -4.91 135.00 124.00 1hkx n PRO 473 Ca 0.00 -0.62 -0.16 0.00 -2.02 0.00 0.00 63.50 60.70 1hkx n PRO 473 Cb 0.00 -1.62 0.05 0.00 -0.02 0.00 0.00 33.50 31.91 1hkx n PRO 473 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1hkx n SER 474 N -1.79 1.77 0.00 2.55 7.64 -1.26 -4.97 113.62 117.57 1hkx n SER 474 Ca 0.04 -2.26 0.00 0.00 1.01 0.00 0.00 58.87 57.66 1hkx n SER 474 Cb 0.52 -0.29 0.00 0.00 -1.01 0.00 0.00 64.21 63.43 1hkx n SER 474 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55