#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xjd n GLU 378 N 0.00 0.17 0.00 9.51 4.71 -1.26 -1.86 120.64 131.91 1xjd n GLU 378 Ca 0.00 0.10 0.15 0.00 -0.01 0.00 0.00 57.16 57.40 1xjd n GLU 378 Cb 0.00 -1.50 0.72 0.00 -1.01 0.00 0.00 31.44 29.65 1xjd n GLU 378 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1xjd n ASP 379 N -1.38 0.33 -4.40 1.62 8.00 -1.26 -4.80 116.55 114.66 1xjd n ASP 379 Ca 0.08 -0.64 -0.28 0.00 0.71 0.00 0.00 54.79 54.66 1xjd n ASP 379 Cb 0.21 -0.10 -0.13 0.00 -0.02 0.00 0.00 41.12 41.08 1xjd n ASP 379 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1xjd s PHE 380 N -2.35 2.30 -0.20 1.24 0.08 -0.78 -1.51 117.98 116.75 1xjd s PHE 380 Ca 0.34 -0.38 -0.05 0.00 0.12 0.00 0.00 56.93 56.96 1xjd s PHE 380 Cb 0.21 -1.22 -0.03 0.00 -0.57 0.00 0.00 43.02 41.41 1xjd s PHE 380 CO 0.44 0.37 0.00 0.42 -0.10 0.00 0.00 175.22 176.35 1xjd s ILE 381 N -1.19 4.00 -0.88 0.64 1.01 0.28 -4.91 121.20 120.15 1xjd s ILE 381 Ca 0.15 -0.30 -0.18 0.00 0.00 0.00 0.00 60.65 60.33 1xjd s ILE 381 Cb -0.10 -2.81 0.15 0.00 0.01 0.00 0.00 42.46 39.72 1xjd s ILE 381 CO 0.07 0.43 1.01 -0.76 0.00 0.00 0.00 174.94 175.69 1xjd s LEU 382 N 0.98 5.51 0.16 2.97 1.43 -1.26 -1.18 118.68 127.28 1xjd s LEU 382 Ca 0.02 -2.17 -0.13 0.00 -1.03 0.00 0.00 54.13 50.82 1xjd s LEU 382 Cb -0.14 -2.35 0.05 0.00 0.03 0.00 0.00 46.19 43.78 1xjd s LEU 382 CO 0.02 -0.94 1.70 0.45 0.23 0.00 0.00 176.35 177.81 1xjd h HIS 383 N 8.58 0.85 -2.61 0.29 3.86 -1.77 -3.47 115.15 120.88 1xjd h HIS 383 Ca 0.12 -0.08 0.09 0.00 -1.16 0.00 0.00 60.37 59.34 1xjd h HIS 383 Cb 1.03 -0.25 -0.10 0.00 1.06 0.00 0.00 27.41 29.15 1xjd h HIS 383 CO 1.11 0.71 0.37 -1.59 0.86 0.00 0.00 177.93 179.39 1xjd s LYS 384 N -5.48 1.23 -0.30 2.45 -2.85 -1.23 -5.01 119.74 108.55 1xjd s LYS 384 Ca -0.13 -0.58 -0.17 0.00 -1.00 0.00 0.00 55.97 54.10 1xjd s LYS 384 Cb 0.12 0.48 -0.02 0.00 -2.06 0.00 0.00 37.83 36.35 1xjd s LYS 384 CO 0.79 -0.55 0.45 1.41 0.10 0.00 0.00 175.35 177.55 1xjd s MET 385 N -3.48 3.85 0.13 1.78 -2.45 -1.26 -0.58 119.30 117.30 1xjd s MET 385 Ca 0.07 -0.00 -0.01 0.00 -1.25 0.00 0.00 55.69 54.49 1xjd s MET 385 Cb -0.02 -3.72 -0.11 0.00 1.25 0.00 0.00 34.83 32.23 1xjd s MET 385 CO -0.04 -0.44 1.30 -0.07 1.05 0.00 0.00 175.02 176.82 1xjd h LEU 386 N 8.82 0.39 0.00 4.11 3.38 -0.63 -3.48 115.31 127.90 1xjd h LEU 386 Ca -0.30 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.34 1xjd h LEU 386 Cb 1.14 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.77 1xjd h LEU 386 CO 0.71 1.17 0.00 0.61 0.09 0.00 0.00 178.44 181.01 1xjd n GLY 387 N 1.06 -1.57 3.13 0.83 0.00 -1.07 -5.01 105.19 102.56 1xjd n GLY 387 Ca -0.06 -1.26 -0.32 0.00 0.00 0.00 0.00 46.02 44.38 1xjd n GLY 387 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xjd s LYS 388 N -2.00 2.92 0.00 1.61 -2.85 -1.26 0.09 119.74 118.25 1xjd s LYS 388 Ca 0.00 -0.81 0.00 0.00 -1.00 0.00 0.00 55.97 54.16 1xjd s LYS 388 Cb 0.00 -2.45 0.00 0.00 -2.06 0.00 0.00 37.83 33.32 1xjd s LYS 388 CO 0.00 -0.13 0.00 0.41 0.10 0.00 0.00 175.35 175.73 1xjd n GLY 389 N 4.40 2.29 0.01 0.59 0.00 -1.13 -4.97 105.19 106.38 1xjd n GLY 389 Ca -0.20 -2.13 -0.00 0.00 0.00 0.00 0.00 46.02 43.69 1xjd n GLY 389 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1xjd n SER 390 N -2.35 -0.02 -4.00 1.61 7.64 -1.26 -4.24 113.62 111.00 1xjd n SER 390 Ca 0.00 0.09 -0.11 0.00 1.01 0.00 0.00 58.87 59.86 1xjd n SER 390 Cb 0.00 -0.03 -0.12 0.00 -1.01 0.00 0.00 64.21 63.05 1xjd n SER 390 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 1xjd s PHE 391 N -3.48 0.41 0.17 1.43 -0.12 -1.26 -5.11 117.98 110.01 1xjd s PHE 391 Ca -0.00 -0.45 0.00 0.00 -0.05 0.00 0.00 56.93 56.43 1xjd s PHE 391 Cb 0.00 -0.26 0.00 0.00 -0.63 0.00 0.00 43.02 42.13 1xjd s PHE 391 CO 0.01 -0.12 0.00 0.41 -0.05 0.00 0.00 175.22 175.47 1xjd n GLY 392 N 1.75 -2.76 3.92 1.99 0.00 -1.26 -4.83 105.19 104.01 1xjd n GLY 392 Ca -0.22 -1.35 -0.27 0.00 0.00 0.00 0.00 46.02 44.19 1xjd n GLY 392 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xjd s LYS 393 N -3.25 3.57 -0.12 1.61 -0.14 -0.16 -2.84 119.74 118.41 1xjd s LYS 393 Ca 0.00 -0.10 0.02 0.00 -1.36 0.00 0.00 55.97 54.53 1xjd s LYS 393 Cb 0.00 -2.64 -0.00 0.00 -1.68 0.00 0.00 37.83 33.51 1xjd s LYS 393 CO 0.00 0.17 -0.20 0.08 -0.76 0.00 0.00 175.35 174.64 1xjd s VAL 394 N -2.20 2.39 0.11 3.17 1.01 0.11 0.79 120.40 125.78 1xjd s VAL 394 Ca 0.43 -0.89 0.11 0.00 0.00 0.00 0.00 61.98 61.63 1xjd s VAL 394 Cb -0.10 -1.96 -0.04 0.00 0.00 0.00 0.00 36.38 34.28 1xjd s VAL 394 CO 0.33 0.54 -0.27 -0.36 0.00 0.00 0.00 175.10 175.34 1xjd s PHE 395 N 0.53 2.32 -0.30 5.22 0.08 1.00 0.14 117.98 126.96 1xjd s PHE 395 Ca -0.12 -0.39 -0.28 0.00 0.12 0.00 0.00 56.93 56.26 1xjd s PHE 395 Cb -0.17 -1.29 0.01 0.00 -0.57 0.00 0.00 43.02 41.01 1xjd s PHE 395 CO 0.04 0.29 1.01 -1.17 -0.10 0.00 0.00 175.22 175.29 1xjd s LEU 396 N -1.86 4.00 -0.03 -0.37 2.96 0.25 -0.61 118.68 123.02 1xjd s LEU 396 Ca 0.14 1.03 0.06 0.00 -0.22 0.00 0.00 54.13 55.14 1xjd s LEU 396 Cb -0.10 -3.44 -0.01 0.00 0.50 0.00 0.00 46.19 43.13 1xjd s LEU 396 CO 0.05 -0.79 -0.22 0.00 -1.32 0.00 0.00 176.35 174.07 1xjd s ALA 397 N 3.42 1.90 -0.17 5.97 0.00 0.12 -1.87 121.76 131.14 1xjd s ALA 397 Ca 0.42 -0.95 -0.05 0.00 0.00 0.00 0.00 51.96 51.39 1xjd s ALA 397 Cb -0.13 -0.54 -0.03 0.00 0.00 0.00 0.00 23.12 22.42 1xjd s ALA 397 CO 0.13 0.42 0.00 -2.00 0.00 0.00 0.00 175.76 174.31 1xjd s GLU 398 N -0.33 3.79 -0.71 0.00 2.12 -0.33 1.00 118.70 124.25 1xjd s GLU 398 Ca 0.03 -0.45 -0.26 0.00 0.36 0.00 0.00 54.97 54.65 1xjd s GLU 398 Cb -0.11 -3.03 0.04 0.00 0.26 0.00 0.00 34.13 31.29 1xjd s GLU 398 CO 0.01 0.26 1.20 0.12 -0.54 0.00 0.00 175.26 176.30 1xjd s PHE 399 N 0.35 2.40 0.18 5.30 5.36 0.76 -0.56 117.98 131.78 1xjd s PHE 399 Ca -0.01 -0.12 -0.07 0.00 -0.96 0.00 0.00 56.93 55.77 1xjd s PHE 399 Cb -0.13 -4.53 0.28 0.00 -0.34 0.00 0.00 43.02 38.29 1xjd s PHE 399 CO 0.02 -1.93 1.05 1.63 -1.46 0.00 0.00 175.22 174.53 1xjd n LYS 400 N 8.90 -0.08 0.12 10.12 5.02 -0.57 -0.99 118.16 140.68 1xjd n LYS 400 Ca 0.02 1.05 0.11 0.00 -2.02 0.00 0.00 58.31 57.47 1xjd n LYS 400 Cb 0.48 -1.57 0.47 0.00 -0.02 0.00 0.00 35.03 34.40 1xjd n LYS 400 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1xjd n LYS 401 N -5.08 0.16 0.00 1.97 5.02 -1.26 -3.80 118.16 115.17 1xjd n LYS 401 Ca 0.10 0.44 0.00 0.00 -2.02 0.00 0.00 58.31 56.83 1xjd n LYS 401 Cb 0.32 -1.84 0.00 0.00 -0.02 0.00 0.00 35.03 33.50 1xjd n LYS 401 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1xjd n THR 402 N -2.14 0.00 -0.98 -0.18 -2.24 -0.16 -5.00 114.28 103.58 1xjd n THR 402 Ca 0.02 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 1xjd n THR 402 Cb 0.19 1.02 0.00 0.00 -2.10 0.00 0.00 70.33 69.44 1xjd n THR 402 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1xjd n ASN 403 N -0.55 -3.88 -4.73 3.42 3.02 -0.61 -4.98 115.26 106.96 1xjd n ASN 403 Ca 0.00 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.14 1xjd n ASN 403 Cb 0.00 -1.76 -0.04 0.00 -0.61 0.00 0.00 39.78 37.37 1xjd n ASN 403 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1xjd s GLN 404 N -0.85 4.68 0.04 3.52 -0.21 -1.25 -4.82 119.66 120.78 1xjd s GLN 404 Ca 0.00 1.50 -0.00 0.00 0.02 0.00 0.00 55.36 56.88 1xjd s GLN 404 Cb 0.00 -3.36 -0.04 0.00 1.00 0.00 0.00 33.01 30.61 1xjd s GLN 404 CO 0.00 0.19 0.18 -0.06 -2.12 0.00 0.00 175.29 173.48 1xjd s PHE 405 N -0.07 3.47 0.22 0.91 0.40 -1.26 -0.17 117.98 121.47 1xjd s PHE 405 Ca 0.47 0.25 -0.04 0.00 -0.60 0.00 0.00 56.93 57.02 1xjd s PHE 405 Cb -0.25 -1.76 -0.03 0.00 0.51 0.00 0.00 43.02 41.50 1xjd s PHE 405 CO 0.31 0.59 0.23 -0.06 0.70 0.00 0.00 175.22 176.99 1xjd s PHE 406 N -1.42 0.97 -0.24 0.36 0.08 0.28 -4.40 117.98 113.61 1xjd s PHE 406 Ca 0.31 -1.22 -0.03 0.00 0.12 0.00 0.00 56.93 56.12 1xjd s PHE 406 Cb -0.13 -0.36 0.02 0.00 -0.57 0.00 0.00 43.02 41.98 1xjd s PHE 406 CO 0.24 -0.75 -0.05 0.00 -0.10 0.00 0.00 175.22 174.56 1xjd s ALA 407 N -4.08 2.75 -0.18 5.36 0.00 -0.43 0.17 121.76 125.36 1xjd s ALA 407 Ca 0.35 -1.38 -0.04 0.00 0.00 0.00 0.00 51.96 50.88 1xjd s ALA 407 Cb 0.05 -1.73 -0.02 0.00 0.00 0.00 0.00 23.12 21.42 1xjd s ALA 407 CO 0.12 -0.72 -0.03 0.42 0.00 0.00 0.00 175.76 175.55 1xjd s ILE 408 N 1.38 3.81 -0.26 0.00 1.01 0.22 -0.71 121.20 126.66 1xjd s ILE 408 Ca 0.02 -0.37 -0.15 0.00 0.00 0.00 0.00 60.65 60.15 1xjd s ILE 408 Cb -0.16 -2.69 -0.04 0.00 0.01 0.00 0.00 42.46 39.58 1xjd s ILE 408 CO -0.04 0.47 0.36 -0.75 0.00 0.00 0.00 174.94 174.98 1xjd s LYS 409 N 0.69 4.04 -0.11 2.79 2.20 -0.38 -0.00 119.74 128.97 1xjd s LYS 409 Ca -0.02 0.04 -0.01 0.00 -0.36 0.00 0.00 55.97 55.63 1xjd s LYS 409 Cb -0.14 -3.63 -0.03 0.00 -1.51 0.00 0.00 37.83 32.52 1xjd s LYS 409 CO 0.02 -0.23 -0.07 0.00 -0.36 0.00 0.00 175.35 174.71 1xjd s ALA 410 N 1.91 2.91 -0.03 3.13 0.00 0.24 -1.01 121.76 128.90 1xjd s ALA 410 Ca 0.15 -0.87 0.04 0.00 0.00 0.00 0.00 51.96 51.28 1xjd s ALA 410 Cb -0.16 -1.33 -0.00 0.00 0.00 0.00 0.00 23.12 21.64 1xjd s ALA 410 CO 0.09 0.39 -0.14 -0.51 0.00 0.00 0.00 175.76 175.60 1xjd s LEU 411 N -0.18 1.89 -0.49 0.00 1.43 0.73 -0.99 118.68 121.07 1xjd s LEU 411 Ca 0.02 -0.27 -0.23 0.00 -1.03 0.00 0.00 54.13 52.62 1xjd s LEU 411 Cb -0.13 -0.77 0.03 0.00 0.03 0.00 0.00 46.19 45.35 1xjd s LEU 411 CO 0.03 0.13 0.83 -0.54 0.23 0.00 0.00 176.35 177.03 1xjd s LYS 412 N 0.01 3.36 0.31 1.70 1.02 -1.26 0.92 119.74 125.80 1xjd s LYS 412 Ca -0.01 -0.22 0.03 0.00 0.02 0.00 0.00 55.97 55.79 1xjd s LYS 412 Cb -0.09 -3.99 0.80 0.00 -0.52 0.00 0.00 37.83 34.03 1xjd s LYS 412 CO 0.01 -1.26 1.57 0.87 -0.92 0.00 0.00 175.35 175.62 1xjd h LYS 413 N 9.10 0.01 -0.83 1.68 1.57 -1.56 -0.89 116.57 125.65 1xjd h LYS 413 Ca -0.25 -0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.57 1xjd h LYS 413 Cb 1.08 -0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.34 1xjd h LYS 413 CO 1.01 0.00 0.52 0.22 -0.57 0.00 0.00 179.45 180.63 1xjd h ASP 414 N 0.01 0.85 1.72 0.86 3.58 -1.92 -0.85 116.42 120.66 1xjd h ASP 414 Ca 0.62 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 58.04 1xjd h ASP 414 Cb 1.32 -0.18 -0.00 0.00 1.72 0.00 0.00 39.33 42.18 1xjd h ASP 414 CO -0.92 0.57 -0.28 -0.37 -2.88 0.00 0.00 179.24 175.36 1xjd h VAL 415 N 0.99 0.23 -0.31 2.25 -1.51 -1.58 -2.78 116.25 113.54 1xjd h VAL 415 Ca 0.34 -1.33 -0.06 0.00 -1.23 0.00 0.00 66.70 64.42 1xjd h VAL 415 Cb 0.07 2.05 -0.02 0.00 -2.13 0.00 0.00 31.29 31.27 1xjd h VAL 415 CO -0.14 0.13 -0.06 0.58 -1.23 0.00 0.00 177.57 176.85 1xjd h VAL 416 N 0.00 1.21 0.17 7.19 2.07 -0.58 0.19 116.25 126.50 1xjd h VAL 416 Ca -0.01 -0.89 -0.25 0.00 0.82 0.00 0.00 66.70 66.37 1xjd h VAL 416 Cb 1.12 1.04 0.03 0.00 -1.52 0.00 0.00 31.29 31.96 1xjd h VAL 416 CO 0.02 0.30 -1.09 -0.07 0.02 0.00 0.00 177.57 176.74 1xjd h LEU 417 N 0.48 0.67 -0.27 2.57 3.38 -1.16 0.17 115.31 121.15 1xjd h LEU 417 Ca 0.10 -0.91 -0.01 0.00 0.09 0.00 0.00 57.88 57.15 1xjd h LEU 417 Cb 0.41 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1xjd h LEU 417 CO 0.02 1.52 0.12 0.24 0.09 0.00 0.00 178.44 180.44 1xjd h MET 418 N -0.07 0.39 -0.09 1.13 2.86 -1.34 0.63 114.93 118.43 1xjd h MET 418 Ca -0.18 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.39 1xjd h MET 418 Cb 1.84 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 33.43 1xjd h MET 418 CO 0.21 0.39 0.00 -0.25 1.06 0.00 0.00 176.91 178.32 1xjd n ASP 419 N -4.79 0.11 -3.71 1.22 8.00 0.65 -4.89 116.55 113.14 1xjd n ASP 419 Ca -0.02 -2.00 -0.24 0.00 0.71 0.00 0.00 54.79 53.24 1xjd n ASP 419 Cb 0.11 -0.05 -0.07 0.00 -0.02 0.00 0.00 41.12 41.10 1xjd n ASP 419 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1xjd n ASP 420 N -0.44 0.13 -2.30 -2.24 5.75 0.21 -4.82 116.55 112.83 1xjd n ASP 420 Ca 0.00 -0.88 -0.29 0.00 -0.01 0.00 0.00 54.79 53.61 1xjd n ASP 420 Cb 0.03 -1.10 0.03 0.00 -1.03 0.00 0.00 41.12 39.05 1xjd n ASP 420 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1xjd n ASP 421 N -1.77 5.85 -0.20 -1.12 8.00 -0.00 -4.73 116.55 122.57 1xjd n ASP 421 Ca -0.14 -3.76 -0.09 0.00 0.71 0.00 0.00 54.79 51.50 1xjd n ASP 421 Cb 0.43 -0.60 0.02 0.00 -0.02 0.00 0.00 41.12 40.95 1xjd n ASP 421 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1xjd h VAL 422 N 1.97 1.26 -0.03 2.53 2.07 -1.88 -2.72 116.25 119.45 1xjd h VAL 422 Ca 0.44 -1.11 -0.16 0.00 0.82 0.00 0.00 66.70 66.68 1xjd h VAL 422 Cb 1.05 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 1xjd h VAL 422 CO 1.06 0.40 -0.70 -0.08 0.02 0.00 0.00 177.57 178.28 1xjd h GLU 423 N 0.91 0.16 -0.12 1.57 4.57 -1.95 -2.71 114.58 117.01 1xjd h GLU 423 Ca 0.17 -0.13 -0.00 0.00 -1.18 0.00 0.00 59.36 58.21 1xjd h GLU 423 Cb 0.53 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.14 1xjd h GLU 423 CO 0.03 0.79 0.06 0.00 -1.18 0.00 0.00 179.01 178.71 1xjd h THR 425 N 0.16 1.50 -0.19 0.00 1.35 -1.18 -2.71 112.91 111.83 1xjd h THR 425 Ca 0.04 -2.63 -0.15 0.00 -0.55 0.00 0.00 66.41 63.12 1xjd h THR 425 Cb 0.01 2.47 -0.01 0.00 -1.73 0.00 0.00 68.15 68.90 1xjd h THR 425 CO -0.01 0.77 -0.49 0.24 -0.25 0.00 0.00 175.52 175.78 1xjd h MET 426 N 0.10 0.52 0.16 4.72 2.07 -1.03 -2.43 114.93 119.04 1xjd h MET 426 Ca -0.04 -0.30 -0.00 0.00 -2.07 0.00 0.00 59.70 57.29 1xjd h MET 426 Cb 1.51 0.02 -0.01 0.00 -1.87 0.00 0.00 31.60 31.26 1xjd h MET 426 CO 0.13 0.89 -0.12 0.28 1.07 0.00 0.00 176.91 179.17 1xjd h VAL 427 N 0.41 0.74 -0.63 -2.22 2.07 -0.61 -0.64 116.25 115.36 1xjd h VAL 427 Ca 0.02 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.57 1xjd h VAL 427 Cb 1.01 0.74 -0.04 0.00 -1.52 0.00 0.00 31.29 31.48 1xjd h VAL 427 CO 0.09 0.00 0.39 -0.08 0.02 0.00 0.00 177.57 177.99 1xjd h GLU 428 N -0.28 0.74 -0.73 1.57 4.81 -1.41 0.11 114.58 119.39 1xjd h GLU 428 Ca -0.01 -0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.22 1xjd h GLU 428 Cb 0.25 -0.17 -0.05 0.00 0.63 0.00 0.00 28.75 29.42 1xjd h GLU 428 CO -0.01 0.49 0.45 -0.22 -0.73 0.00 0.00 179.01 178.99 1xjd h LYS 429 N 0.77 0.83 -0.14 1.92 3.64 -1.22 0.43 116.57 122.79 1xjd h LYS 429 Ca 0.25 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.57 1xjd h LYS 429 Cb 0.02 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.64 1xjd h LYS 429 CO -0.10 0.55 0.03 -0.09 -2.27 0.00 0.00 179.45 177.57 1xjd h ARG 430 N 0.85 0.23 -0.36 1.90 2.43 -0.18 -1.53 114.38 117.73 1xjd h ARG 430 Ca 0.30 -0.06 -0.11 0.00 -0.81 0.00 0.00 59.98 59.30 1xjd h ARG 430 Cb 0.08 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 1xjd h ARG 430 CO -0.13 0.39 -0.24 0.28 -1.51 0.00 0.00 179.97 178.75 1xjd h VAL 431 N 0.03 1.27 -0.42 0.20 2.07 -0.78 -1.39 116.25 117.22 1xjd h VAL 431 Ca 0.04 -1.34 -0.05 0.00 0.82 0.00 0.00 66.70 66.17 1xjd h VAL 431 Cb 0.26 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 1xjd h VAL 431 CO 0.00 0.44 0.04 -0.07 0.02 0.00 0.00 177.57 178.00 1xjd h LEU 432 N 0.62 0.62 -0.51 2.57 3.38 -0.82 0.15 115.31 121.33 1xjd h LEU 432 Ca 0.08 -0.12 -0.11 0.00 0.09 0.00 0.00 57.88 57.82 1xjd h LEU 432 Cb 0.74 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 1xjd h LEU 432 CO 0.06 0.67 -0.10 0.28 0.09 0.00 0.00 178.44 179.44 1xjd h SER 433 N 0.63 0.97 -0.15 -0.43 0.02 -0.84 -3.04 113.55 110.71 1xjd h SER 433 Ca 0.13 -0.35 -0.01 0.00 -0.84 0.00 0.00 61.79 60.72 1xjd h SER 433 Cb 0.34 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 1xjd h SER 433 CO 0.01 1.09 0.07 0.25 -1.14 0.00 0.00 176.83 177.11 1xjd h LEU 434 N 0.82 0.21 -1.58 5.07 5.85 -0.66 -3.07 115.31 121.95 1xjd h LEU 434 Ca 0.13 -0.15 0.02 0.00 0.84 0.00 0.00 57.88 58.72 1xjd h LEU 434 Cb 0.66 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.64 1xjd h LEU 434 CO 0.05 0.30 0.50 0.00 -0.34 0.00 0.00 178.44 178.94 1xjd h ALA 435 N 0.92 1.58 -0.83 1.25 0.00 -0.59 -1.65 119.26 119.94 1xjd h ALA 435 Ca 0.05 -0.00 0.19 0.00 0.00 0.00 0.00 54.91 55.15 1xjd h ALA 435 Cb 0.15 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 1xjd h ALA 435 CO -0.01 -0.53 0.56 2.35 0.00 0.00 0.00 179.25 181.62 1xjd h TRP 436 N 0.00 0.41 0.00 0.00 2.91 -1.56 0.23 115.95 117.94 1xjd h TRP 436 Ca 0.03 0.01 -0.05 0.00 1.13 0.00 0.00 58.89 60.01 1xjd h TRP 436 Cb 1.02 -0.13 -0.01 0.00 -0.51 0.00 0.00 29.16 29.54 1xjd h TRP 436 CO 0.00 0.12 -0.24 1.49 -1.03 0.00 0.00 178.44 178.79 1xjd h GLU 437 N 0.32 0.00 -6.12 2.65 4.81 -1.54 -3.45 114.58 111.26 1xjd h GLU 437 Ca 0.42 0.00 -0.68 0.00 -0.13 0.00 0.00 59.36 58.96 1xjd h GLU 437 Cb 1.13 0.00 -0.18 0.00 0.63 0.00 0.00 28.75 30.33 1xjd h GLU 437 CO -0.12 0.24 -0.68 -1.58 -0.73 0.00 0.00 179.01 176.13 1xjd s HIS 438 N -4.37 2.98 0.05 0.92 2.46 0.07 -5.03 115.29 112.36 1xjd s HIS 438 Ca -0.03 0.05 0.26 0.00 0.47 0.00 0.00 55.06 55.81 1xjd s HIS 438 Cb 0.15 -1.72 0.94 0.00 -0.13 0.00 0.00 32.58 31.82 1xjd s HIS 438 CO 0.68 0.36 1.83 -1.00 -2.47 0.00 0.00 174.74 174.14 1xjd h PRO 439 N 5.18 0.00 -0.53 2.88 0.13 -1.87 -3.24 132.00 134.55 1xjd h PRO 439 Ca -0.49 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.62 1xjd h PRO 439 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 1xjd h PRO 439 CO 0.53 0.15 0.02 1.19 -0.23 0.00 0.00 178.00 179.66 1xjd n PHE 440 N -3.26 1.89 -4.64 1.56 3.72 -1.26 -4.85 117.46 110.62 1xjd n PHE 440 Ca 0.01 -0.81 -0.26 0.00 -0.05 0.00 0.00 57.45 56.34 1xjd n PHE 440 Cb 0.42 -0.49 -0.14 0.00 -0.94 0.00 0.00 39.48 38.33 1xjd n PHE 440 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1xjd s LEU 441 N -2.81 2.18 0.22 4.37 1.43 -1.23 -0.75 118.68 122.10 1xjd s LEU 441 Ca 0.52 -0.55 -0.30 0.00 -1.03 0.00 0.00 54.13 52.77 1xjd s LEU 441 Cb 0.41 -1.02 -0.10 0.00 0.03 0.00 0.00 46.19 45.51 1xjd s LEU 441 CO 0.14 0.17 1.41 -0.89 0.23 0.00 0.00 176.35 177.40 1xjd s THR 442 N -0.84 2.84 0.17 5.49 2.01 -0.26 -4.80 115.64 120.25 1xjd s THR 442 Ca 0.08 0.69 0.01 0.00 0.31 0.00 0.00 61.69 62.78 1xjd s THR 442 Cb -0.09 -3.44 -0.04 0.00 0.01 0.00 0.00 72.50 68.94 1xjd s THR 442 CO 0.02 0.10 0.33 -1.00 -0.69 0.00 0.00 174.62 173.39 1xjd s HIS 443 N 0.13 3.49 -0.04 4.92 0.09 -1.26 -4.75 115.29 117.87 1xjd s HIS 443 Ca 0.59 0.23 0.07 0.00 -0.00 0.00 0.00 55.06 55.95 1xjd s HIS 443 Cb -0.40 -1.76 -0.02 0.00 -0.00 0.00 0.00 32.58 30.40 1xjd s HIS 443 CO 0.41 0.45 -0.25 1.41 -0.00 0.00 0.00 174.74 176.76 1xjd s MET 444 N -3.27 2.37 -0.19 1.40 0.00 -1.26 -1.70 119.30 116.65 1xjd s MET 444 Ca 0.36 -0.90 -0.10 0.00 0.00 0.00 0.00 55.69 55.05 1xjd s MET 444 Cb -0.11 -2.13 -0.20 0.00 0.00 0.00 0.00 34.83 32.39 1xjd s MET 444 CO 0.29 0.47 0.11 1.19 0.00 0.00 0.00 175.02 177.07 1xjd n PHE 445 N 2.71 0.77 -3.84 4.11 3.01 0.70 -4.95 117.46 119.97 1xjd n PHE 445 Ca -0.17 0.22 -0.10 0.00 1.01 0.00 0.00 57.45 58.42 1xjd n PHE 445 Cb 0.52 -1.09 0.02 0.00 -0.01 0.00 0.00 39.48 38.91 1xjd n PHE 445 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1xjd s THR 447 N -2.25 0.03 0.21 0.00 -1.32 1.91 -1.38 115.64 112.84 1xjd s THR 447 Ca 0.18 -0.27 -0.21 0.00 -1.21 0.00 0.00 61.69 60.18 1xjd s THR 447 Cb -0.05 -0.50 0.04 0.00 -1.51 0.00 0.00 72.50 70.49 1xjd s THR 447 CO 0.13 -0.15 0.63 0.72 -2.21 0.00 0.00 174.62 173.74 1xjd s PHE 448 N -0.60 -0.32 0.09 9.09 -0.12 -1.03 0.07 117.98 125.15 1xjd s PHE 448 Ca -0.07 -0.01 0.02 0.00 -0.05 0.00 0.00 56.93 56.81 1xjd s PHE 448 Cb -0.04 0.58 -0.04 0.00 -0.63 0.00 0.00 43.02 42.89 1xjd s PHE 448 CO 0.02 -1.01 -0.06 1.14 -0.05 0.00 0.00 175.22 175.25 1xjd s GLN 449 N -3.84 0.77 0.19 1.99 -2.07 -1.26 -1.69 119.66 113.75 1xjd s GLN 449 Ca 0.07 -1.23 0.02 0.00 -1.82 0.00 0.00 55.36 52.39 1xjd s GLN 449 Cb -0.03 -0.19 0.02 0.00 -1.09 0.00 0.00 33.01 31.72 1xjd s GLN 449 CO -0.03 -0.01 0.14 2.41 -1.32 0.00 0.00 175.29 176.48 1xjd n THR 450 N 0.21 0.00 1.11 3.63 -1.04 -0.89 -5.01 114.28 112.29 1xjd n THR 450 Ca -0.14 -0.77 0.05 0.00 -2.04 0.00 0.00 64.05 61.15 1xjd n THR 450 Cb 0.60 -0.33 0.15 0.00 -1.82 0.00 0.00 70.33 68.93 1xjd n THR 450 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1xjd n LYS 451 N -0.96 1.66 0.00 -2.82 4.81 -1.26 -4.03 118.16 115.56 1xjd n LYS 451 Ca -0.01 -1.03 0.00 0.00 -0.87 0.00 0.00 58.31 56.41 1xjd n LYS 451 Cb 0.22 -1.24 0.00 0.00 0.02 0.00 0.00 35.03 34.03 1xjd n LYS 451 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1xjd n GLU 452 N 0.32 0.65 -4.11 1.64 1.02 -1.26 -5.03 120.64 113.87 1xjd n GLU 452 Ca 0.10 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.16 1xjd n GLU 452 Cb 0.25 -0.05 -0.10 0.00 -0.02 0.00 0.00 31.44 31.51 1xjd n GLU 452 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1xjd s ASN 453 N 0.00 0.52 -0.05 1.62 -0.87 -1.26 -1.42 114.94 113.49 1xjd s ASN 453 Ca 0.00 -1.05 0.04 0.00 -1.57 0.00 0.00 52.86 50.28 1xjd s ASN 453 Cb 0.00 0.21 -0.02 0.00 -0.02 0.00 0.00 41.25 41.42 1xjd s ASN 453 CO 0.00 -0.62 -0.17 -0.76 -2.57 0.00 0.00 177.10 172.98 1xjd s LEU 454 N -2.97 2.57 -0.05 0.60 1.43 0.26 -2.09 118.68 118.43 1xjd s LEU 454 Ca 0.12 -0.27 0.02 0.00 -1.03 0.00 0.00 54.13 52.97 1xjd s LEU 454 Cb 0.08 -1.51 0.01 0.00 0.03 0.00 0.00 46.19 44.80 1xjd s LEU 454 CO -0.06 0.32 -0.10 -0.36 0.23 0.00 0.00 176.35 176.38 1xjd s PHE 455 N -0.61 1.15 -0.25 0.29 0.08 -0.68 -0.19 117.98 117.77 1xjd s PHE 455 Ca 0.09 -0.36 -0.05 0.00 0.12 0.00 0.00 56.93 56.73 1xjd s PHE 455 Cb -0.11 -0.86 0.00 0.00 -0.57 0.00 0.00 43.02 41.48 1xjd s PHE 455 CO 0.01 -0.19 0.00 -0.06 -0.10 0.00 0.00 175.22 174.88 1xjd s PHE 456 N 0.53 3.05 -0.50 0.36 0.40 -0.18 -2.46 117.98 119.19 1xjd s PHE 456 Ca -0.10 -1.00 -0.17 0.00 -0.60 0.00 0.00 56.93 55.06 1xjd s PHE 456 Cb -0.13 -2.16 0.08 0.00 0.51 0.00 0.00 43.02 41.32 1xjd s PHE 456 CO 0.02 -0.57 0.49 0.08 0.70 0.00 0.00 175.22 175.95 1xjd s VAL 457 N 1.47 5.10 0.37 -0.44 1.01 -0.48 -1.25 120.40 126.18 1xjd s VAL 457 Ca 0.04 -0.92 0.08 0.00 0.00 0.00 0.00 61.98 61.17 1xjd s VAL 457 Cb -0.16 -4.22 -0.03 0.00 0.00 0.00 0.00 36.38 31.97 1xjd s VAL 457 CO -0.01 -0.71 0.28 -0.04 0.00 0.00 0.00 175.10 174.62 1xjd s MET 458 N 2.00 2.54 0.49 2.72 -1.94 0.12 -0.22 119.30 125.01 1xjd s MET 458 Ca 0.08 -1.48 -0.22 0.00 -1.71 0.00 0.00 55.69 52.36 1xjd s MET 458 Cb -0.23 -2.34 -0.07 0.00 2.01 0.00 0.00 34.83 34.20 1xjd s MET 458 CO 0.08 -0.02 1.22 -1.83 -0.01 0.00 0.00 175.02 174.46 1xjd s GLU 459 N -4.00 3.56 -0.18 2.03 -1.05 -0.69 -1.31 118.70 117.05 1xjd s GLU 459 Ca 0.43 1.91 -0.16 0.00 -0.15 0.00 0.00 54.97 56.99 1xjd s GLU 459 Cb -0.03 -2.35 -0.04 0.00 -0.44 0.00 0.00 34.13 31.27 1xjd s GLU 459 CO 0.26 -0.75 0.39 -0.47 0.95 0.00 0.00 175.26 175.64 1xjd s TYR 460 N -1.48 3.41 -0.39 4.83 5.04 -1.26 -4.28 117.35 123.22 1xjd s TYR 460 Ca 0.66 0.65 -0.02 0.00 -2.44 0.00 0.00 57.07 55.93 1xjd s TYR 460 Cb -0.32 -2.50 0.10 0.00 0.35 0.00 0.00 41.96 39.59 1xjd s TYR 460 CO 0.38 0.05 0.16 -0.51 -1.34 0.00 0.00 175.55 174.29 1xjd s LEU 461 N 1.09 5.03 0.00 6.97 1.43 -1.26 -4.93 118.68 127.00 1xjd s LEU 461 Ca 0.20 -1.97 0.17 0.00 -1.03 0.00 0.00 54.13 51.50 1xjd s LEU 461 Cb -0.14 -1.79 1.02 0.00 0.03 0.00 0.00 46.19 45.31 1xjd s LEU 461 CO 0.08 -0.49 1.44 -0.46 0.23 0.00 0.00 176.35 177.15 1xjd n ASN 462 N 4.54 0.00 0.15 2.29 0.23 -1.26 -3.50 115.26 117.72 1xjd n ASN 462 Ca -0.02 -0.68 0.13 0.00 -0.53 0.00 0.00 54.58 53.47 1xjd n ASN 462 Cb 0.42 0.00 0.33 0.00 -2.08 0.00 0.00 39.78 38.45 1xjd n ASN 462 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 1xjd h GLY 463 N 3.12 0.00 0.00 4.83 0.00 -1.12 -3.48 103.07 106.41 1xjd h GLY 463 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1xjd h GLY 463 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1xjd n GLY 464 N 1.13 -1.13 3.90 4.60 0.00 -1.23 -4.63 105.19 107.83 1xjd n GLY 464 Ca 0.05 -1.62 -0.29 0.00 0.00 0.00 0.00 46.02 44.16 1xjd n GLY 464 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1xjd s ASP 465 N -2.72 6.42 0.31 1.61 1.47 -1.26 -0.75 116.67 121.75 1xjd s ASP 465 Ca 0.00 0.91 0.03 0.00 1.18 0.00 0.00 52.55 54.67 1xjd s ASP 465 Cb 0.00 -2.23 0.52 0.00 -0.34 0.00 0.00 42.92 40.87 1xjd s ASP 465 CO 0.00 -0.38 1.82 -0.07 0.68 0.00 0.00 175.17 177.22 1xjd h LEU 466 N 1.09 0.52 -0.54 2.11 3.38 -0.62 -2.76 115.31 118.50 1xjd h LEU 466 Ca -0.47 -0.12 0.07 0.00 0.09 0.00 0.00 57.88 57.44 1xjd h LEU 466 Cb 1.19 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 41.75 1xjd h LEU 466 CO 0.64 0.64 0.22 -0.03 0.09 0.00 0.00 178.44 179.99 1xjd h MET 467 N 0.51 0.40 -0.28 1.13 4.05 -1.80 0.10 114.93 119.05 1xjd h MET 467 Ca 0.10 -0.02 0.02 0.00 -0.28 0.00 0.00 59.70 59.52 1xjd h MET 467 Cb 0.44 -0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 31.12 1xjd h MET 467 CO 0.02 0.26 0.14 -0.92 0.23 0.00 0.00 176.91 176.64 1xjd h TYR 468 N 0.41 0.26 -0.84 1.39 3.20 -1.83 -1.34 116.97 118.21 1xjd h TYR 468 Ca 0.26 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.10 1xjd h TYR 468 Cb 0.26 -0.07 -0.04 0.00 1.54 0.00 0.00 36.73 38.42 1xjd h TYR 468 CO -0.15 0.14 0.39 0.45 -1.64 0.00 0.00 178.16 177.35 1xjd h HIS 469 N 0.29 1.23 -0.12 -3.82 3.86 -1.20 -1.94 115.15 113.46 1xjd h HIS 469 Ca 0.12 -0.07 -0.09 0.00 -1.16 0.00 0.00 60.37 59.17 1xjd h HIS 469 Cb 0.04 -0.38 -0.01 0.00 1.06 0.00 0.00 27.41 28.12 1xjd h HIS 469 CO -0.10 0.90 -0.32 0.82 0.86 0.00 0.00 177.93 180.09 1xjd h ILE 470 N 1.21 1.27 -0.36 2.45 1.08 -0.54 0.18 117.51 122.80 1xjd h ILE 470 Ca 0.29 -1.29 -0.12 0.00 -0.39 0.00 0.00 64.86 63.35 1xjd h ILE 470 Cb 0.15 1.53 -0.01 0.00 -3.07 0.00 0.00 36.82 35.42 1xjd h ILE 470 CO -0.03 0.39 -0.25 1.56 -0.69 0.00 0.00 178.15 179.12 1xjd h GLN 471 N 0.21 0.81 0.00 2.37 4.20 -0.73 0.39 115.11 122.36 1xjd h GLN 471 Ca 0.03 -0.39 -0.22 0.00 0.06 0.00 0.00 58.65 58.13 1xjd h GLN 471 Cb 0.67 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.42 1xjd h GLN 471 CO 0.05 1.02 -1.11 0.66 -0.67 0.00 0.00 178.83 178.78 1xjd h SER 472 N 0.60 0.00 0.37 1.46 4.64 -1.18 -3.33 113.55 116.11 1xjd h SER 472 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1xjd h SER 472 Cb 0.82 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 1xjd h SER 472 CO 0.07 0.99 -1.00 0.00 -0.87 0.00 0.00 176.83 176.02 1xjd n HIS 474 N -1.86 0.00 -3.59 0.00 -0.00 0.14 -4.80 115.22 105.11 1xjd n HIS 474 Ca 0.02 0.00 -0.05 0.00 -0.00 0.00 0.00 57.72 57.69 1xjd n HIS 474 Cb 0.42 0.00 -0.02 0.00 -0.00 0.00 0.00 29.99 30.39 1xjd n HIS 474 CO 0.00 0.00 0.00 -1.59 -0.00 0.00 0.00 176.34 174.75 1xjd s LYS 475 N 0.00 0.72 0.02 -0.41 -2.85 -1.25 -3.90 119.74 112.07 1xjd s LYS 475 Ca 0.00 -0.31 0.00 0.00 -1.00 0.00 0.00 55.97 54.66 1xjd s LYS 475 Cb 0.00 0.30 -0.04 0.00 -2.06 0.00 0.00 37.83 36.03 1xjd s LYS 475 CO 0.00 -0.32 0.09 -0.06 0.10 0.00 0.00 175.35 175.16 1xjd s PHE 476 N -2.90 3.28 0.76 1.78 0.08 0.13 -5.02 117.98 116.08 1xjd s PHE 476 Ca 0.08 0.18 -0.12 0.00 0.12 0.00 0.00 56.93 57.19 1xjd s PHE 476 Cb -0.00 -1.71 0.05 0.00 -0.57 0.00 0.00 43.02 40.78 1xjd s PHE 476 CO -0.05 0.55 1.13 0.34 -0.10 0.00 0.00 175.22 177.08 1xjd s ASP 477 N -1.92 4.34 0.29 1.36 2.15 -1.26 -4.50 116.67 117.12 1xjd s ASP 477 Ca 0.25 2.03 0.02 0.00 0.43 0.00 0.00 52.55 55.28 1xjd s ASP 477 Cb -0.12 -2.55 0.56 0.00 -0.30 0.00 0.00 42.92 40.51 1xjd s ASP 477 CO 0.16 -2.15 1.84 0.25 -0.17 0.00 0.00 175.17 175.10 1xjd h LEU 478 N -0.78 0.92 -0.50 -1.34 5.85 -1.96 -1.45 115.31 116.06 1xjd h LEU 478 Ca -0.45 0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.26 1xjd h LEU 478 Cb 1.25 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 42.13 1xjd h LEU 478 CO 0.50 0.49 0.10 0.28 -0.34 0.00 0.00 178.44 179.47 1xjd h SER 479 N 0.99 0.77 -0.19 1.25 0.02 -1.99 -0.11 113.55 114.30 1xjd h SER 479 Ca 0.50 -0.25 -0.04 0.00 -0.84 0.00 0.00 61.79 61.16 1xjd h SER 479 Cb 0.49 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.82 1xjd h SER 479 CO -0.26 0.82 -0.03 -0.09 -1.14 0.00 0.00 176.83 176.14 1xjd h ARG 480 N 0.69 0.34 -0.73 3.45 2.43 -1.81 -1.98 114.38 116.78 1xjd h ARG 480 Ca 0.15 -0.12 -0.03 0.00 -0.81 0.00 0.00 59.98 59.17 1xjd h ARG 480 Cb 0.37 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.86 1xjd h ARG 480 CO 0.01 0.58 0.34 0.00 -1.51 0.00 0.00 179.97 179.39 1xjd h ALA 481 N 0.75 1.23 -0.60 2.80 0.00 -1.24 -2.21 119.26 119.99 1xjd h ALA 481 Ca 0.05 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 1xjd h ALA 481 Cb 0.44 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1xjd h ALA 481 CO 0.01 0.59 0.19 1.15 0.00 0.00 0.00 179.25 181.19 1xjd h THR 482 N 1.04 1.24 -0.24 0.00 2.02 -0.92 -0.36 112.91 115.69 1xjd h THR 482 Ca 0.25 -0.82 -0.01 0.00 0.77 0.00 0.00 66.41 66.60 1xjd h THR 482 Cb 0.12 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.16 1xjd h THR 482 CO -0.03 0.31 0.12 0.15 0.37 0.00 0.00 175.52 176.44 1xjd h PHE 483 N 0.85 0.33 -0.61 3.16 3.57 -0.96 -1.26 116.94 122.02 1xjd h PHE 483 Ca 0.19 -0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.58 1xjd h PHE 483 Cb 0.28 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.90 1xjd h PHE 483 CO 0.02 0.31 0.00 1.88 -2.23 0.00 0.00 178.31 178.30 1xjd h TYR 484 N 0.26 1.18 -0.67 0.41 0.05 -1.30 -2.74 116.97 114.16 1xjd h TYR 484 Ca 0.08 -0.20 0.02 0.00 0.05 0.00 0.00 58.73 58.68 1xjd h TYR 484 Cb 0.10 -0.31 -0.04 0.00 1.01 0.00 0.00 36.73 37.50 1xjd h TYR 484 CO -0.03 1.03 0.43 0.00 -1.05 0.00 0.00 178.16 178.55 1xjd h ALA 485 N 0.99 0.86 -0.39 3.88 0.00 -0.88 -0.72 119.26 123.00 1xjd h ALA 485 Ca 0.17 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1xjd h ALA 485 Cb 0.56 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1xjd h ALA 485 CO 0.03 0.24 0.21 0.00 0.00 0.00 0.00 179.25 179.73 1xjd h ALA 486 N 1.26 0.50 -0.07 0.00 0.00 -1.05 0.27 119.26 120.18 1xjd h ALA 486 Ca 0.26 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.98 1xjd h ALA 486 Cb -0.05 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1xjd h ALA 486 CO -0.07 0.03 -0.41 0.93 0.00 0.00 0.00 179.25 179.73 1xjd h GLU 487 N 0.50 0.15 -0.51 0.00 5.08 -1.22 -2.40 114.58 116.18 1xjd h GLU 487 Ca 0.14 -0.07 -0.12 0.00 -1.00 0.00 0.00 59.36 58.30 1xjd h GLU 487 Cb 0.07 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 1xjd h GLU 487 CO -0.02 0.54 -0.17 0.82 -1.00 0.00 0.00 179.01 179.17 1xjd h ILE 488 N 0.13 1.27 -0.30 3.13 2.04 -0.72 -1.91 117.51 121.15 1xjd h ILE 488 Ca 0.01 -1.33 0.04 0.00 1.00 0.00 0.00 64.86 64.57 1xjd h ILE 488 Cb 0.78 1.06 -0.04 0.00 -0.74 0.00 0.00 36.82 37.88 1xjd h ILE 488 CO 0.06 0.46 0.09 0.40 0.00 0.00 0.00 178.15 179.16 1xjd h ILE 489 N 0.88 0.89 -0.72 -0.67 2.04 -0.50 -0.46 117.51 118.97 1xjd h ILE 489 Ca 0.12 -0.07 -0.05 0.00 1.00 0.00 0.00 64.86 65.86 1xjd h ILE 489 Cb 0.75 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 37.46 1xjd h ILE 489 CO 0.06 0.04 0.25 -0.07 0.00 0.00 0.00 178.15 178.42 1xjd h LEU 490 N 0.21 1.02 -0.45 1.44 3.38 -1.30 0.55 115.31 120.16 1xjd h LEU 490 Ca 0.14 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1xjd h LEU 490 Cb 0.12 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 1xjd h LEU 490 CO -0.16 0.94 0.24 1.23 0.09 0.00 0.00 178.44 180.78 1xjd h GLY 491 N 1.10 0.67 0.89 0.83 0.00 -0.84 -1.28 103.07 104.44 1xjd h GLY 491 Ca 0.24 -0.31 -0.04 0.00 0.00 0.00 0.00 47.33 47.22 1xjd h GLY 491 CO -0.01 0.30 0.04 1.41 0.00 0.00 0.00 176.54 178.28 1xjd h LEU 492 N 0.58 0.49 -1.46 3.11 3.38 -0.73 -2.45 115.31 118.25 1xjd h LEU 492 Ca 0.16 -0.27 -0.04 0.00 0.09 0.00 0.00 57.88 57.81 1xjd h LEU 492 Cb 0.07 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1xjd h LEU 492 CO -0.02 0.64 -0.11 1.56 0.09 0.00 0.00 178.44 180.59 1xjd h GLN 493 N 0.33 0.22 0.01 1.13 4.20 -0.78 0.71 115.11 120.93 1xjd h GLN 493 Ca 0.09 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.75 1xjd h GLN 493 Cb 0.36 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.11 1xjd h GLN 493 CO 0.01 0.34 -0.01 0.35 -0.67 0.00 0.00 178.83 178.85 1xjd h PHE 494 N 0.21 -0.02 -0.61 2.96 3.57 -1.09 0.22 116.94 122.18 1xjd h PHE 494 Ca 0.04 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.60 1xjd h PHE 494 Cb 0.33 0.01 -0.05 0.00 2.79 0.00 0.00 35.95 39.02 1xjd h PHE 494 CO 0.00 0.27 0.32 -0.07 -2.23 0.00 0.00 178.31 176.60 1xjd h LEU 495 N -0.31 0.45 -0.93 0.59 3.38 -0.94 -1.75 115.31 115.81 1xjd h LEU 495 Ca -0.00 0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 1xjd h LEU 495 Cb 0.30 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 1xjd h LEU 495 CO 0.00 0.29 0.11 0.45 0.09 0.00 0.00 178.44 179.38 1xjd h HIS 496 N 0.59 0.93 0.00 1.13 3.86 -0.74 -0.75 115.15 120.17 1xjd h HIS 496 Ca 0.28 -0.10 -0.01 0.00 -1.16 0.00 0.00 60.37 59.37 1xjd h HIS 496 Cb 0.20 -0.27 -0.00 0.00 1.06 0.00 0.00 27.41 28.40 1xjd h HIS 496 CO -0.10 0.79 -0.06 0.66 0.86 0.00 0.00 177.93 180.08 1xjd h SER 497 N 0.85 0.00 -0.48 2.45 4.64 -0.11 -1.71 113.55 119.19 1xjd h SER 497 Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 1xjd h SER 497 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 1xjd h SER 497 CO 0.00 0.06 0.00 0.29 -0.87 0.00 0.00 176.83 176.31 1xjd n LYS 498 N -3.23 3.54 -2.10 4.77 4.76 -0.80 -4.91 118.16 120.19 1xjd n LYS 498 Ca -0.00 -2.32 -0.08 0.00 -2.87 0.00 0.00 58.31 53.03 1xjd n LYS 498 Cb 0.28 -1.91 -0.01 0.00 -1.84 0.00 0.00 35.03 31.56 1xjd n LYS 498 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1xjd n GLY 499 N 0.74 0.09 3.28 0.72 0.00 -0.64 -4.74 105.19 104.64 1xjd n GLY 499 Ca 0.21 -0.54 -0.31 0.00 0.00 0.00 0.00 46.02 45.37 1xjd n GLY 499 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xjd s ILE 500 N -2.41 2.09 -0.22 -0.61 1.01 -0.35 -0.21 121.20 120.51 1xjd s ILE 500 Ca 0.00 -1.06 -0.04 0.00 0.00 0.00 0.00 60.65 59.55 1xjd s ILE 500 Cb 0.00 -1.75 -0.01 0.00 0.01 0.00 0.00 42.46 40.71 1xjd s ILE 500 CO 0.00 0.57 -0.05 -0.69 0.00 0.00 0.00 174.94 174.77 1xjd s VAL 501 N -0.22 3.35 0.03 2.92 1.01 -0.55 -3.21 120.40 123.73 1xjd s VAL 501 Ca -0.02 -0.50 -0.23 0.00 0.00 0.00 0.00 61.98 61.23 1xjd s VAL 501 Cb -0.13 -2.52 -0.16 0.00 0.00 0.00 0.00 36.38 33.57 1xjd s VAL 501 CO 0.03 0.43 1.42 0.22 0.00 0.00 0.00 175.10 177.19 1xjd h TYR 502 N 8.09 0.16 0.00 5.22 3.20 -1.89 -1.18 116.97 130.57 1xjd h TYR 502 Ca -0.41 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.42 1xjd h TYR 502 Cb 1.16 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 39.39 1xjd h TYR 502 CO 0.58 0.46 0.00 0.54 -1.64 0.00 0.00 178.16 178.11 1xjd n ARG 503 N -4.81 0.00 -2.52 1.82 1.74 -1.26 -3.58 116.66 108.05 1xjd n ARG 503 Ca -0.07 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 57.00 1xjd n ARG 503 Cb 0.22 -3.94 0.05 0.00 -1.02 0.00 0.00 32.46 27.77 1xjd n ARG 503 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1xjd n ASP 504 N 0.00 1.83 -4.64 0.55 2.03 -1.26 -4.35 116.55 110.71 1xjd n ASP 504 Ca 0.00 -2.23 -0.43 0.00 0.52 0.00 0.00 54.79 52.65 1xjd n ASP 504 Cb 0.00 -0.44 -0.02 0.00 -0.72 0.00 0.00 41.12 39.94 1xjd n ASP 504 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1xjd s LEU 505 N -3.24 3.98 0.13 -2.67 2.96 -1.26 -4.85 118.68 113.74 1xjd s LEU 505 Ca 0.31 1.47 -0.19 0.00 -0.22 0.00 0.00 54.13 55.49 1xjd s LEU 505 Cb 0.34 -3.54 0.05 0.00 0.50 0.00 0.00 46.19 43.54 1xjd s LEU 505 CO -0.05 -1.03 0.49 -1.59 -1.32 0.00 0.00 176.35 172.84 1xjd s LYS 506 N 4.10 1.15 0.33 1.98 -2.85 -1.26 -4.74 119.74 118.45 1xjd s LYS 506 Ca 0.60 -0.58 0.08 0.00 -1.00 0.00 0.00 55.97 55.07 1xjd s LYS 506 Cb -0.20 0.52 0.80 0.00 -2.06 0.00 0.00 37.83 36.88 1xjd s LYS 506 CO 0.23 -0.47 1.81 -0.07 0.10 0.00 0.00 175.35 176.94 1xjd h LEU 507 N 2.25 0.72 -2.14 2.77 3.38 -1.93 0.20 115.31 120.56 1xjd h LEU 507 Ca -0.34 0.07 0.06 0.00 0.09 0.00 0.00 57.88 57.76 1xjd h LEU 507 Cb 1.27 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.96 1xjd h LEU 507 CO 0.43 0.29 0.18 0.44 0.09 0.00 0.00 178.44 179.86 1xjd h ASP 508 N 0.72 0.00 -0.66 -0.43 5.19 -1.96 -1.95 116.42 117.32 1xjd h ASP 508 Ca 0.54 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.95 1xjd h ASP 508 Cb 0.90 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.41 1xjd h ASP 508 CO -0.31 0.00 0.00 0.59 -3.12 0.00 0.00 179.24 176.40 1xjd n ASN 509 N -4.12 3.56 -4.32 6.45 3.02 0.06 -4.82 115.26 115.08 1xjd n ASN 509 Ca 0.02 -2.01 -0.37 0.00 -0.03 0.00 0.00 54.58 52.19 1xjd n ASN 509 Cb 0.31 -0.45 -0.13 0.00 -0.61 0.00 0.00 39.78 38.91 1xjd n ASN 509 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1xjd s ILE 510 N -1.13 3.78 0.20 2.41 -1.09 -0.74 -1.11 121.20 123.52 1xjd s ILE 510 Ca 0.44 -0.75 0.06 0.00 -2.23 0.00 0.00 60.65 58.17 1xjd s ILE 510 Cb 0.23 -2.95 -0.04 0.00 -1.58 0.00 0.00 42.46 38.13 1xjd s ILE 510 CO 0.30 0.10 0.15 -0.76 -1.23 0.00 0.00 174.94 173.50 1xjd s LEU 511 N 1.47 3.78 -0.14 2.97 1.43 -0.40 -0.19 118.68 127.60 1xjd s LEU 511 Ca 0.02 -0.19 -0.04 0.00 -1.03 0.00 0.00 54.13 52.89 1xjd s LEU 511 Cb -0.17 -2.36 -0.03 0.00 0.03 0.00 0.00 46.19 43.66 1xjd s LEU 511 CO 0.01 0.03 -0.01 -0.76 0.23 0.00 0.00 176.35 175.85 1xjd s LEU 512 N -3.38 3.42 0.77 1.79 1.43 0.08 -0.53 118.68 122.27 1xjd s LEU 512 Ca 0.32 -0.02 -0.07 0.00 -1.03 0.00 0.00 54.13 53.32 1xjd s LEU 512 Cb -0.09 -1.82 0.11 0.00 0.03 0.00 0.00 46.19 44.42 1xjd s LEU 512 CO 0.24 0.23 1.09 -0.62 0.23 0.00 0.00 176.35 177.51 1xjd s ASP 513 N 0.01 4.26 0.14 2.29 -1.08 0.50 -0.70 116.67 122.09 1xjd s ASP 513 Ca 0.02 0.18 0.19 0.00 -0.52 0.00 0.00 52.55 52.42 1xjd s ASP 513 Cb -0.13 -0.61 0.80 0.00 -1.46 0.00 0.00 42.92 41.52 1xjd s ASP 513 CO 0.02 -1.96 1.59 2.29 0.52 0.00 0.00 175.17 177.63 1xjd n LYS 514 N -3.11 0.10 0.00 4.34 2.85 -1.26 -2.04 118.16 119.04 1xjd n LYS 514 Ca 0.12 0.35 0.12 0.00 -1.05 0.00 0.00 58.31 57.84 1xjd n LYS 514 Cb 0.60 -1.70 0.18 0.00 -0.65 0.00 0.00 35.03 33.46 1xjd n LYS 514 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1xjd n ASP 515 N -1.89 1.20 0.00 -5.58 5.68 -1.26 -4.95 116.55 109.75 1xjd n ASP 515 Ca 0.03 -0.96 0.00 0.00 -0.50 0.00 0.00 54.79 53.36 1xjd n ASP 515 Cb 0.20 0.38 0.00 0.00 -1.14 0.00 0.00 41.12 40.55 1xjd n ASP 515 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1xjd n GLY 516 N 1.41 0.40 3.90 6.12 0.00 -0.86 -4.72 105.19 111.44 1xjd n GLY 516 Ca 0.09 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.83 1xjd n GLY 516 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1xjd s HIS 517 N -2.13 3.50 0.38 1.61 3.76 -1.26 -4.80 115.29 116.35 1xjd s HIS 517 Ca 0.00 0.79 0.04 0.00 -0.15 0.00 0.00 55.06 55.74 1xjd s HIS 517 Cb 0.00 -2.24 -0.01 0.00 1.11 0.00 0.00 32.58 31.44 1xjd s HIS 517 CO 0.00 -0.04 0.54 0.96 -0.85 0.00 0.00 174.74 175.35 1xjd s ILE 518 N -2.37 4.00 -0.10 0.60 -5.25 -1.26 -0.37 121.20 116.45 1xjd s ILE 518 Ca 0.47 -0.83 -0.05 0.00 -0.99 0.00 0.00 60.65 59.25 1xjd s ILE 518 Cb -0.10 -3.41 0.05 0.00 2.95 0.00 0.00 42.46 41.94 1xjd s ILE 518 CO 0.35 -0.20 0.23 -0.54 -1.79 0.00 0.00 174.94 172.98 1xjd s LYS 519 N -4.31 0.18 0.25 0.37 1.02 0.32 -4.47 119.74 113.09 1xjd s LYS 519 Ca 0.46 0.52 -0.30 0.00 0.02 0.00 0.00 55.97 56.67 1xjd s LYS 519 Cb -0.10 -0.13 -0.09 0.00 -0.52 0.00 0.00 37.83 36.99 1xjd s LYS 519 CO 0.33 -0.17 1.04 0.42 -0.92 0.00 0.00 175.35 176.05 1xjd s ILE 520 N 1.33 3.78 0.17 2.17 1.01 0.07 -1.27 121.20 128.47 1xjd s ILE 520 Ca -0.08 1.74 0.03 0.00 0.00 0.00 0.00 60.65 62.34 1xjd s ILE 520 Cb -0.11 -4.11 -0.05 0.00 0.01 0.00 0.00 42.46 38.21 1xjd s ILE 520 CO -0.08 0.40 -0.04 0.00 0.00 0.00 0.00 174.94 175.21 1xjd s ALA 521 N -1.00 1.49 -0.13 9.38 0.00 -0.27 -1.10 121.76 130.12 1xjd s ALA 521 Ca 0.44 -1.59 -0.04 0.00 0.00 0.00 0.00 51.96 50.78 1xjd s ALA 521 Cb -0.29 0.32 0.01 0.00 0.00 0.00 0.00 23.12 23.16 1xjd s ALA 521 CO 0.37 -0.21 0.07 -3.47 0.00 0.00 0.00 175.76 172.52 1xjd n ASP 522 N -0.26 -3.08 -1.06 0.00 -0.08 -1.26 -4.81 116.55 106.00 1xjd n ASP 522 Ca -0.08 0.75 0.06 0.00 -1.51 0.00 0.00 54.79 54.02 1xjd n ASP 522 Cb 0.62 -3.33 0.27 0.00 2.34 0.00 0.00 41.12 41.02 1xjd n ASP 522 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 1xjd n PHE 523 N 0.66 1.13 0.30 -0.67 3.01 -1.26 -4.67 117.46 115.96 1xjd n PHE 523 Ca -0.12 -0.95 0.17 0.00 1.01 0.00 0.00 57.45 57.55 1xjd n PHE 523 Cb 0.19 -0.37 0.79 0.00 -0.01 0.00 0.00 39.48 40.08 1xjd n PHE 523 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 1xjd h GLY 524 N 1.94 0.00 -1.81 1.37 0.00 -1.92 -2.84 103.07 99.80 1xjd h GLY 524 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.37 1xjd h GLY 524 CO 0.29 0.00 0.00 1.03 0.00 0.00 0.00 176.54 177.86 1xjd n MET 525 N -2.73 2.39 -1.68 4.80 2.81 -1.26 -4.82 117.12 116.62 1xjd n MET 525 Ca -0.01 -2.11 -0.34 0.00 -1.81 0.00 0.00 57.70 53.43 1xjd n MET 525 Cb 0.16 -1.39 0.06 0.00 -0.71 0.00 0.00 33.22 31.34 1xjd n MET 525 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1xjd s LYS 527 N -3.87 2.82 0.51 0.00 2.47 -0.44 -4.97 119.74 116.25 1xjd s LYS 527 Ca 0.72 -0.78 0.08 0.00 -1.56 0.00 0.00 55.97 54.43 1xjd s LYS 527 Cb -0.25 -2.34 0.09 0.00 -1.46 0.00 0.00 37.83 33.86 1xjd s LYS 527 CO 0.41 -0.08 0.70 0.39 0.16 0.00 0.00 175.35 176.93 1xjd n GLU 528 N 4.25 0.62 -1.99 4.03 1.02 -1.26 -1.49 120.64 125.83 1xjd n GLU 528 Ca -0.20 -2.67 -0.17 0.00 -0.02 0.00 0.00 57.16 54.10 1xjd n GLU 528 Cb 0.51 -0.23 -0.04 0.00 -0.02 0.00 0.00 31.44 31.66 1xjd n GLU 528 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1xjd n ASN 529 N -2.45 -4.86 -4.37 1.62 4.05 -0.89 -4.87 115.26 103.49 1xjd n ASN 529 Ca 0.14 0.24 -0.44 0.00 0.45 0.00 0.00 54.58 54.97 1xjd n ASN 529 Cb 0.52 -4.21 0.00 0.00 1.23 0.00 0.00 39.78 37.32 1xjd n ASN 529 CO 0.00 0.00 0.00 0.23 -3.05 0.00 0.00 177.26 174.44 1xjd n MET 530 N -2.56 3.42 -4.29 1.20 2.81 0.71 -4.93 117.12 113.48 1xjd n MET 530 Ca -0.19 -3.82 -0.29 0.00 -1.81 0.00 0.00 57.70 51.58 1xjd n MET 530 Cb 0.62 -3.01 -0.11 0.00 -0.71 0.00 0.00 33.22 30.01 1xjd n MET 530 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1xjd s LEU 531 N 1.19 2.75 0.00 4.03 1.43 -1.26 -4.29 118.68 122.53 1xjd s LEU 531 Ca 0.42 -0.54 0.00 0.00 -1.03 0.00 0.00 54.13 52.98 1xjd s LEU 531 Cb -0.01 -1.59 0.00 0.00 0.03 0.00 0.00 46.19 44.62 1xjd s LEU 531 CO 0.00 0.18 0.00 0.61 0.23 0.00 0.00 176.35 177.37 1xjd n GLY 532 N 0.76 3.89 1.20 -3.19 0.00 -1.26 -1.73 105.19 104.86 1xjd n GLY 532 Ca -0.15 -0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.92 1xjd n GLY 532 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1xjd n ASP 533 N 6.78 3.47 -4.76 1.61 5.68 -1.26 -4.96 116.55 123.12 1xjd n ASP 533 Ca 0.00 -2.39 -0.41 0.00 -0.50 0.00 0.00 54.79 51.49 1xjd n ASP 533 Cb 0.00 -0.52 -0.02 0.00 -1.14 0.00 0.00 41.12 39.45 1xjd n ASP 533 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1xjd s ALA 534 N -1.86 3.64 0.11 2.12 0.00 -0.70 -5.02 121.76 120.04 1xjd s ALA 534 Ca 0.33 1.44 0.03 0.00 0.00 0.00 0.00 51.96 53.76 1xjd s ALA 534 Cb 0.23 -3.58 -0.04 0.00 0.00 0.00 0.00 23.12 19.72 1xjd s ALA 534 CO 0.13 -0.86 -0.09 0.15 0.00 0.00 0.00 175.76 175.10 1xjd s LYS 535 N -0.88 0.87 0.41 0.00 1.02 -1.26 -4.71 119.74 115.19 1xjd s LYS 535 Ca 0.58 -1.27 0.04 0.00 0.02 0.00 0.00 55.97 55.34 1xjd s LYS 535 Cb -0.44 -0.42 -0.03 0.00 -0.52 0.00 0.00 37.83 36.42 1xjd s LYS 535 CO 0.49 0.04 0.11 -0.08 -0.92 0.00 0.00 175.35 175.00 1xjd s THR 536 N -3.01 0.69 -0.17 2.17 -1.32 0.22 -4.85 115.64 109.37 1xjd s THR 536 Ca 0.09 -2.00 -0.04 0.00 -1.21 0.00 0.00 61.69 58.53 1xjd s THR 536 Cb 0.01 -2.37 0.07 0.00 -1.51 0.00 0.00 72.50 68.70 1xjd s THR 536 CO -0.02 0.00 0.13 0.54 -2.21 0.00 0.00 174.62 173.07 1xjd s ASN 537 N -3.62 1.85 -0.12 8.08 2.20 -1.26 -0.62 114.94 121.45 1xjd s ASN 537 Ca 0.23 -0.38 -0.01 0.00 -0.94 0.00 0.00 52.86 51.76 1xjd s ASN 537 Cb 0.03 -0.00 0.04 0.00 -2.00 0.00 0.00 41.25 39.31 1xjd s ASN 537 CO 0.14 -0.33 -0.01 0.12 -2.94 0.00 0.00 177.10 174.08 1xjd s PHE 539 N 2.21 1.04 0.17 1.54 5.36 -1.26 -5.02 117.98 122.02 1xjd s PHE 539 Ca 0.04 -0.57 -0.24 0.00 -0.96 0.00 0.00 56.93 55.20 1xjd s PHE 539 Cb -0.15 -1.00 0.06 0.00 -0.34 0.00 0.00 43.02 41.58 1xjd s PHE 539 CO -0.09 -0.47 0.82 0.00 -1.46 0.00 0.00 175.22 174.02 1xjd n GLY 541 N -0.42 3.00 3.69 0.00 0.00 -1.26 -4.92 105.19 105.29 1xjd n GLY 541 Ca -0.08 -2.04 -0.42 0.00 0.00 0.00 0.00 46.02 43.48 1xjd n GLY 541 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xjd s THR 542 N -2.61 4.30 0.27 2.61 2.01 -1.26 -4.88 115.64 116.08 1xjd s THR 542 Ca 0.00 1.62 -0.03 0.00 0.31 0.00 0.00 61.69 63.59 1xjd s THR 542 Cb 0.00 -4.04 0.41 0.00 0.01 0.00 0.00 72.50 68.87 1xjd s THR 542 CO 0.00 0.02 1.44 -0.81 -0.69 0.00 0.00 174.62 174.58 1xjd n PRO 543 N 4.99 -0.08 0.12 4.92 -0.04 -1.26 -0.55 135.00 143.10 1xjd n PRO 543 Ca 0.10 1.41 0.15 0.00 -0.04 0.00 0.00 63.50 65.12 1xjd n PRO 543 Cb 0.47 -2.17 0.67 0.00 -0.04 0.00 0.00 33.50 32.43 1xjd n PRO 543 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1xjd h ASP 544 N 0.00 0.00 -0.02 3.54 3.32 -1.95 -2.75 116.42 118.56 1xjd h ASP 544 Ca 0.50 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.55 1xjd h ASP 544 Cb 0.90 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.45 1xjd h ASP 544 CO -0.91 0.00 -0.17 -1.22 -1.72 0.00 0.00 179.24 175.22 1xjd n TYR 545 N -4.44 0.00 -1.92 4.55 4.02 0.29 -4.87 117.16 114.79 1xjd n TYR 545 Ca 0.04 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.51 1xjd n TYR 545 Cb 0.37 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.66 1xjd n TYR 545 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1xjd s ILE 546 N -1.94 2.87 0.48 -0.72 1.01 -0.98 -4.16 121.20 117.77 1xjd s ILE 546 Ca 0.21 0.45 -0.22 0.00 0.00 0.00 0.00 60.65 61.09 1xjd s ILE 546 Cb 0.17 -3.29 -0.07 0.00 0.01 0.00 0.00 42.46 39.28 1xjd s ILE 546 CO 0.36 0.01 1.17 0.00 0.00 0.00 0.00 174.94 176.48 1xjd s ALA 547 N 2.15 2.90 0.45 9.38 0.00 -1.26 -4.93 121.76 130.45 1xjd s ALA 547 Ca 0.73 0.93 0.11 0.00 0.00 0.00 0.00 51.96 53.73 1xjd s ALA 547 Cb -0.41 -3.39 1.01 0.00 0.00 0.00 0.00 23.12 20.33 1xjd s ALA 547 CO 0.32 -0.72 2.07 -1.00 0.00 0.00 0.00 175.76 176.43 1xjd h PRO 548 N 1.84 0.36 0.00 0.00 0.13 -1.90 -1.98 132.00 130.44 1xjd h PRO 548 Ca -0.50 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 64.58 1xjd h PRO 548 Cb 1.25 -0.08 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 1xjd h PRO 548 CO 0.59 0.24 -0.16 1.05 -0.23 0.00 0.00 178.00 179.48 1xjd h GLU 549 N 0.37 0.00 -0.08 0.86 9.09 -1.92 0.29 114.58 123.18 1xjd h GLU 549 Ca 0.14 0.00 -0.16 0.00 0.05 0.00 0.00 59.36 59.38 1xjd h GLU 549 Cb 0.09 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.20 1xjd h GLU 549 CO -0.03 0.16 -0.58 0.82 0.05 0.00 0.00 179.01 179.44 1xjd h ILE 550 N 0.00 1.36 -0.11 -1.06 2.04 -1.62 -0.60 117.51 117.51 1xjd h ILE 550 Ca -0.00 -1.91 -0.02 0.00 1.00 0.00 0.00 64.86 63.92 1xjd h ILE 550 Cb 0.30 2.26 -0.01 0.00 -0.74 0.00 0.00 36.82 38.63 1xjd h ILE 550 CO 0.02 0.57 -0.04 -0.07 0.00 0.00 0.00 178.15 178.64 1xjd h LEU 551 N 0.13 0.15 -0.69 1.44 3.38 -1.09 -1.02 115.31 117.61 1xjd h LEU 551 Ca -0.05 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1xjd h LEU 551 Cb 1.23 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1xjd h LEU 551 CO 0.12 0.22 0.00 0.18 0.09 0.00 0.00 178.44 179.04 1xjd n LEU 552 N -4.40 1.06 -0.78 1.67 4.77 0.01 -4.94 117.00 114.39 1xjd n LEU 552 Ca -0.01 -0.40 -0.07 0.00 -0.03 0.00 0.00 56.01 55.50 1xjd n LEU 552 Cb 0.17 -0.03 -0.01 0.00 -2.33 0.00 0.00 43.42 41.23 1xjd n LEU 552 CO 0.36 0.20 -0.09 0.61 -1.33 0.00 0.00 177.39 177.14 1xjd n GLY 553 N 1.07 0.14 3.88 -0.72 0.00 -0.39 -5.04 105.19 104.14 1xjd n GLY 553 Ca 0.18 -0.60 -0.33 0.00 0.00 0.00 0.00 46.02 45.27 1xjd n GLY 553 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1xjd s GLN 554 N -4.22 3.70 0.42 1.61 -0.21 -0.25 -5.03 119.66 115.67 1xjd s GLN 554 Ca 0.00 0.06 -0.26 0.00 0.02 0.00 0.00 55.36 55.18 1xjd s GLN 554 Cb 0.00 -2.87 -0.09 0.00 1.00 0.00 0.00 33.01 31.06 1xjd s GLN 554 CO 0.00 0.47 1.36 0.15 -2.12 0.00 0.00 175.29 175.16 1xjd s LYS 555 N -2.42 3.89 0.21 2.91 1.02 -1.26 -4.62 119.74 119.46 1xjd s LYS 555 Ca 0.39 2.29 -0.00 0.00 0.02 0.00 0.00 55.97 58.67 1xjd s LYS 555 Cb -0.13 -2.75 -0.04 0.00 -0.52 0.00 0.00 37.83 34.40 1xjd s LYS 555 CO 0.22 -0.61 0.12 1.52 -0.92 0.00 0.00 175.35 175.68 1xjd s TYR 556 N -1.22 1.24 0.00 3.18 -0.85 0.21 -4.87 117.35 115.04 1xjd s TYR 556 Ca 0.58 -1.34 0.00 0.00 -0.52 0.00 0.00 57.07 55.79 1xjd s TYR 556 Cb -0.41 -0.63 0.00 0.00 0.38 0.00 0.00 41.96 41.30 1xjd s TYR 556 CO 0.53 -0.58 0.00 0.27 -1.52 0.00 0.00 175.55 174.25 1xjd n ASN 557 N -0.32 0.17 0.17 -0.18 0.23 -1.26 -0.61 115.26 113.46 1xjd n ASN 557 Ca 0.02 0.00 0.10 0.00 -0.53 0.00 0.00 54.58 54.16 1xjd n ASN 557 Cb 0.66 0.00 0.52 0.00 -2.08 0.00 0.00 39.78 38.88 1xjd n ASN 557 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1xjd n HIS 558 N 0.00 0.64 -0.11 -2.53 1.44 -1.26 -2.54 115.22 110.87 1xjd n HIS 558 Ca 0.00 0.34 0.23 0.00 -2.01 0.00 0.00 57.72 56.27 1xjd n HIS 558 Cb 0.00 -0.96 0.67 0.00 0.12 0.00 0.00 29.99 29.82 1xjd n HIS 558 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 1xjd h SER 559 N 0.00 0.08 0.35 4.39 4.64 -1.94 -0.05 113.55 121.01 1xjd h SER 559 Ca 0.00 0.01 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 1xjd h SER 559 Cb 0.23 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.30 1xjd h SER 559 CO 0.00 0.04 -0.30 -0.37 -0.87 0.00 0.00 176.83 175.33 1xjd h VAL 560 N 0.08 1.13 -0.06 0.95 -1.51 -1.91 -2.37 116.25 112.56 1xjd h VAL 560 Ca 0.35 -1.04 -0.13 0.00 -1.23 0.00 0.00 66.70 64.65 1xjd h VAL 560 Cb 1.26 1.57 -0.01 0.00 -2.13 0.00 0.00 31.29 31.98 1xjd h VAL 560 CO -0.03 0.29 -0.55 0.44 -1.23 0.00 0.00 177.57 176.49 1xjd h ASP 561 N 0.00 0.20 0.81 4.19 3.32 -1.24 -2.51 116.42 121.19 1xjd h ASP 561 Ca -0.00 -0.11 -0.06 0.00 0.02 0.00 0.00 57.03 56.88 1xjd h ASP 561 Cb 0.55 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 1xjd h ASP 561 CO 0.04 0.71 -0.27 -0.50 -1.72 0.00 0.00 179.24 177.50 1xjd h TRP 562 N 0.14 0.00 -0.00 4.55 4.06 -1.43 -0.33 115.95 122.94 1xjd h TRP 562 Ca -0.00 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.92 1xjd h TRP 562 Cb 1.01 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.17 1xjd h TRP 562 CO 0.01 0.27 -0.12 2.35 -3.56 0.00 0.00 178.44 177.39 1xjd h TRP 563 N 0.00 0.13 -0.79 0.49 2.91 -1.35 -2.64 115.95 114.70 1xjd h TRP 563 Ca -0.00 -0.07 0.07 0.00 1.13 0.00 0.00 58.89 60.02 1xjd h TRP 563 Cb 0.75 -0.02 -0.05 0.00 -0.51 0.00 0.00 29.16 29.34 1xjd h TRP 563 CO 0.00 0.86 0.51 0.77 -1.03 0.00 0.00 178.44 179.55 1xjd h SER 564 N -0.64 0.73 -0.48 2.65 0.02 -1.27 -0.53 113.55 114.04 1xjd h SER 564 Ca -0.01 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 1xjd h SER 564 Cb 0.89 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 63.26 1xjd h SER 564 CO 0.02 0.47 0.27 0.15 -1.14 0.00 0.00 176.83 176.60 1xjd h PHE 565 N 0.83 0.65 -0.77 3.45 3.57 -1.07 0.09 116.94 123.70 1xjd h PHE 565 Ca 0.34 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.87 1xjd h PHE 565 Cb 0.26 -0.21 -0.05 0.00 2.79 0.00 0.00 35.95 38.75 1xjd h PHE 565 CO -0.00 0.47 0.48 0.78 -2.23 0.00 0.00 178.31 177.81 1xjd h GLY 566 N 0.63 1.12 0.92 2.40 0.00 -0.75 0.23 103.07 107.62 1xjd h GLY 566 Ca 0.17 -0.36 -0.02 0.00 0.00 0.00 0.00 47.33 47.13 1xjd h GLY 566 CO -0.03 0.28 0.13 -2.08 0.00 0.00 0.00 176.54 174.84 1xjd h VAL 567 N 0.91 1.18 -0.55 4.60 2.07 -0.79 0.20 116.25 123.87 1xjd h VAL 567 Ca 0.32 -0.53 0.00 0.00 0.82 0.00 0.00 66.70 67.31 1xjd h VAL 567 Cb 0.07 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 1xjd h VAL 567 CO -0.13 0.18 0.35 0.25 0.02 0.00 0.00 177.57 178.24 1xjd h LEU 568 N 0.36 0.64 -0.38 2.57 6.46 -0.40 -0.20 115.31 124.35 1xjd h LEU 568 Ca 0.10 -0.03 -0.06 0.00 -0.12 0.00 0.00 57.88 57.77 1xjd h LEU 568 Cb 0.17 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 39.92 1xjd h LEU 568 CO -0.01 0.48 0.01 0.25 -0.62 0.00 0.00 178.44 178.55 1xjd h LEU 569 N 0.74 0.65 -0.51 2.25 5.85 -0.37 -1.54 115.31 122.39 1xjd h LEU 569 Ca 0.20 -0.30 0.05 0.00 0.84 0.00 0.00 57.88 58.67 1xjd h LEU 569 Cb -0.06 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 40.75 1xjd h LEU 569 CO -0.04 0.79 0.23 0.22 -0.34 0.00 0.00 178.44 179.30 1xjd h TYR 570 N 0.49 0.42 -0.78 1.25 5.03 -0.66 -2.31 116.97 120.41 1xjd h TYR 570 Ca 0.11 0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.42 1xjd h TYR 570 Cb 0.45 -0.11 -0.04 0.00 1.55 0.00 0.00 36.73 38.58 1xjd h TYR 570 CO 0.04 0.19 0.40 0.93 -1.32 0.00 0.00 178.16 178.39 1xjd h GLU 571 N 0.45 1.11 -0.50 1.82 5.08 -0.76 0.85 114.58 122.63 1xjd h GLU 571 Ca 0.23 -0.15 -0.03 0.00 -1.00 0.00 0.00 59.36 58.42 1xjd h GLU 571 Cb 0.18 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 1xjd h GLU 571 CO -0.19 0.84 0.19 0.52 -1.00 0.00 0.00 179.01 179.37 1xjd h MET 572 N 1.09 0.71 0.05 2.33 2.86 -0.77 0.24 114.93 121.45 1xjd h MET 572 Ca 0.27 -0.11 -0.29 0.00 -2.06 0.00 0.00 59.70 57.52 1xjd h MET 572 Cb 0.08 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.58 1xjd h MET 572 CO -0.04 0.60 -1.57 -0.07 1.06 0.00 0.00 176.91 176.89 1xjd h LEU 573 N 0.71 0.17 0.00 1.22 3.38 -1.12 0.36 115.31 120.03 1xjd h LEU 573 Ca 0.17 -0.28 -0.12 0.00 0.09 0.00 0.00 57.88 57.73 1xjd h LEU 573 Cb 0.16 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1xjd h LEU 573 CO -0.01 1.24 -1.91 -0.38 0.09 0.00 0.00 178.44 177.47 1xjd n ILE 574 N -3.27 0.45 -0.99 1.22 2.08 0.27 -4.62 119.36 114.49 1xjd n ILE 574 Ca -0.16 -0.51 0.00 0.00 0.56 0.00 0.00 62.75 62.64 1xjd n ILE 574 Cb 1.03 -0.18 0.00 0.00 -0.75 0.00 0.00 39.64 39.74 1xjd n ILE 574 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1xjd n GLY 575 N 1.73 0.56 3.12 7.39 0.00 0.83 -4.90 105.19 113.92 1xjd n GLY 575 Ca -0.13 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.81 1xjd n GLY 575 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1xjd s GLN 576 N -0.13 0.70 0.29 1.61 -0.21 -1.26 -4.96 119.66 115.70 1xjd s GLN 576 Ca 0.00 -1.25 -0.25 0.00 0.02 0.00 0.00 55.36 53.89 1xjd s GLN 576 Cb 0.00 0.00 -0.09 0.00 1.00 0.00 0.00 33.01 33.92 1xjd s GLN 576 CO 0.00 -0.06 0.89 -1.12 -2.12 0.00 0.00 175.29 172.88 1xjd s SER 577 N -2.90 7.29 0.38 5.90 0.01 -1.26 -3.95 113.70 119.16 1xjd s SER 577 Ca 0.08 1.74 0.15 0.00 1.31 0.00 0.00 55.95 59.23 1xjd s SER 577 Cb 0.06 -2.54 0.75 0.00 0.21 0.00 0.00 66.02 64.50 1xjd s SER 577 CO -0.07 -0.03 1.82 1.55 0.41 0.00 0.00 173.24 176.92 1xjd h PRO 578 N 3.30 0.00 -5.34 12.44 0.13 -1.93 -3.43 132.00 137.17 1xjd h PRO 578 Ca -0.47 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 63.99 1xjd h PRO 578 Cb 1.19 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 32.01 1xjd h PRO 578 CO 0.65 0.37 -0.84 -0.06 -0.23 0.00 0.00 178.00 177.89 1xjd s PHE 579 N -4.04 2.64 0.41 1.56 0.40 -1.26 -4.53 117.98 113.16 1xjd s PHE 579 Ca -0.02 -0.92 0.07 0.00 -0.60 0.00 0.00 56.93 55.46 1xjd s PHE 579 Cb 0.14 -1.75 -0.06 0.00 0.51 0.00 0.00 43.02 41.86 1xjd s PHE 579 CO 0.71 -0.35 0.16 -1.01 0.70 0.00 0.00 175.22 175.42 1xjd s HIS 580 N 0.33 2.59 0.00 0.36 3.76 -1.26 -5.00 115.29 116.07 1xjd s HIS 580 Ca -0.16 -0.60 0.00 0.00 -0.15 0.00 0.00 55.06 54.14 1xjd s HIS 580 Cb -0.17 -1.94 0.00 0.00 1.11 0.00 0.00 32.58 31.58 1xjd s HIS 580 CO 0.08 0.22 0.00 0.41 -0.85 0.00 0.00 174.74 174.60 1xjd n GLY 581 N -1.20 1.64 0.19 -2.22 0.00 -1.26 -3.84 105.19 98.49 1xjd n GLY 581 Ca -0.02 -0.07 0.04 0.00 0.00 0.00 0.00 46.02 45.97 1xjd n GLY 581 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1xjd h GLN 582 N 0.00 0.00 -4.55 1.61 5.75 -1.99 -3.44 115.11 112.49 1xjd h GLN 582 Ca 0.00 0.00 -0.36 0.00 -0.15 0.00 0.00 58.65 58.14 1xjd h GLN 582 Cb 0.00 0.00 -0.11 0.00 1.07 0.00 0.00 27.48 28.44 1xjd h GLN 582 CO 0.00 0.36 -0.39 0.16 -2.65 0.00 0.00 178.83 176.31 1xjd s ASP 583 N -6.78 1.16 0.27 -0.69 1.47 -1.26 -5.05 116.67 105.79 1xjd s ASP 583 Ca -0.02 -1.59 -0.03 0.00 1.18 0.00 0.00 52.55 52.09 1xjd s ASP 583 Cb 0.14 0.57 0.38 0.00 -0.34 0.00 0.00 42.92 43.67 1xjd s ASP 583 CO 0.71 -1.12 1.92 -0.33 0.68 0.00 0.00 175.17 177.03 1xjd h GLU 584 N 2.20 1.18 -0.69 2.11 5.08 -1.99 -0.96 114.58 121.50 1xjd h GLU 584 Ca -0.28 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.01 1xjd h GLU 584 Cb 1.24 -0.27 -0.03 0.00 0.50 0.00 0.00 28.75 30.19 1xjd h GLU 584 CO 0.39 0.78 0.41 0.93 -1.00 0.00 0.00 179.01 180.52 1xjd h GLU 585 N 1.22 0.95 -0.34 2.33 5.08 -1.98 0.22 114.58 122.06 1xjd h GLU 585 Ca 0.38 -0.09 -0.15 0.00 -1.00 0.00 0.00 59.36 58.50 1xjd h GLU 585 Cb -0.01 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.04 1xjd h GLU 585 CO -0.11 0.69 -0.38 1.49 -1.00 0.00 0.00 179.01 179.69 1xjd h GLU 586 N 0.95 0.81 -0.30 2.33 4.81 -1.82 -1.96 114.58 119.40 1xjd h GLU 586 Ca 0.25 -0.41 0.00 0.00 -0.13 0.00 0.00 59.36 59.06 1xjd h GLU 586 Cb -0.01 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 1xjd h GLU 586 CO -0.04 1.05 0.19 1.25 -0.73 0.00 0.00 179.01 180.72 1xjd h LEU 587 N 0.66 0.35 -0.98 1.64 5.85 -0.61 -0.71 115.31 121.52 1xjd h LEU 587 Ca 0.06 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 1xjd h LEU 587 Cb 0.94 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.84 1xjd h LEU 587 CO 0.09 0.28 0.50 -0.26 -0.34 0.00 0.00 178.44 178.70 1xjd h PHE 588 N 0.39 1.19 -0.75 1.25 0.04 -0.40 0.43 116.94 119.08 1xjd h PHE 588 Ca 0.11 -0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.82 1xjd h PHE 588 Cb -0.02 -0.38 -0.03 0.00 2.20 0.00 0.00 35.95 37.72 1xjd h PHE 588 CO -0.05 0.81 0.31 1.25 -0.60 0.00 0.00 178.31 180.03 1xjd h HIS 589 N 1.22 1.14 -0.54 -0.55 -0.00 -0.98 -1.50 115.15 113.94 1xjd h HIS 589 Ca 0.31 -0.08 -0.04 0.00 -0.00 0.00 0.00 60.37 60.56 1xjd h HIS 589 Cb 0.00 -0.34 -0.02 0.00 -0.00 0.00 0.00 27.41 27.04 1xjd h HIS 589 CO 0.01 0.87 0.18 1.03 -0.00 0.00 0.00 177.93 180.02 1xjd h SER 590 N 1.09 0.78 -0.38 3.26 0.87 -0.03 0.23 113.55 119.37 1xjd h SER 590 Ca 0.25 -0.20 -0.04 0.00 -1.23 0.00 0.00 61.79 60.58 1xjd h SER 590 Cb 0.20 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 61.94 1xjd h SER 590 CO -0.02 0.77 0.12 0.40 -0.53 0.00 0.00 176.83 177.57 1xjd h ILE 591 N 0.75 1.19 0.05 2.23 2.04 -0.68 -0.42 117.51 122.68 1xjd h ILE 591 Ca 0.18 -0.68 -0.23 0.00 1.00 0.00 0.00 64.86 65.13 1xjd h ILE 591 Cb 0.26 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 1xjd h ILE 591 CO -0.01 0.25 -1.07 0.03 0.00 0.00 0.00 178.15 177.35 1xjd h ARG 592 N 0.65 0.14 0.00 2.37 3.08 -0.81 -3.43 114.38 116.38 1xjd h ARG 592 Ca 0.15 -0.22 -0.08 0.00 0.07 0.00 0.00 59.98 59.90 1xjd h ARG 592 Cb 0.23 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 1xjd h ARG 592 CO -0.00 1.08 -1.30 -1.33 -1.07 0.00 0.00 179.97 177.34 1xjd n MET 593 N -3.48 0.48 -1.59 0.04 2.81 0.03 -5.09 117.12 110.32 1xjd n MET 593 Ca -0.04 0.03 -0.32 0.00 -1.81 0.00 0.00 57.70 55.56 1xjd n MET 593 Cb 0.95 -1.11 0.05 0.00 -0.71 0.00 0.00 33.22 32.41 1xjd n MET 593 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1xjd s ASP 594 N -4.41 5.15 -0.19 7.83 1.01 -0.18 -5.05 116.67 120.83 1xjd s ASP 594 Ca -0.07 1.77 -0.06 0.00 0.71 0.00 0.00 52.55 54.91 1xjd s ASP 594 Cb 0.02 -2.52 -0.03 0.00 1.01 0.00 0.00 42.92 41.40 1xjd s ASP 594 CO 0.13 -1.60 0.02 0.20 0.21 0.00 0.00 175.17 174.13 1xjd s ASN 595 N -3.31 5.05 0.75 0.27 0.02 -1.26 -4.89 114.94 111.57 1xjd s ASN 595 Ca 0.61 -0.12 -0.15 0.00 -1.02 0.00 0.00 52.86 52.18 1xjd s ASN 595 Cb -0.16 -1.86 0.05 0.00 0.02 0.00 0.00 41.25 39.29 1xjd s ASN 595 CO 0.50 0.10 1.24 -2.84 0.02 0.00 0.00 177.10 176.12 1xjd s PRO 596 N 0.79 1.96 -0.06 -0.60 0.02 -1.26 -4.97 135.00 130.87 1xjd s PRO 596 Ca 0.01 1.88 -0.22 0.00 0.02 0.00 0.00 61.00 62.69 1xjd s PRO 596 Cb -0.14 -1.80 -0.04 0.00 0.02 0.00 0.00 34.50 32.54 1xjd s PRO 596 CO 0.02 -2.01 0.66 0.12 -0.33 0.00 0.00 177.00 175.47 1xjd s PHE 597 N -1.85 3.59 -0.21 6.54 5.36 -1.26 -5.05 117.98 125.09 1xjd s PHE 597 Ca 0.77 1.21 -0.01 0.00 -0.96 0.00 0.00 56.93 57.94 1xjd s PHE 597 Cb -0.32 -2.75 0.01 0.00 -0.34 0.00 0.00 43.02 39.62 1xjd s PHE 597 CO 0.47 0.14 -0.11 0.71 -1.46 0.00 0.00 175.22 174.97 1xjd s TYR 598 N 0.59 2.92 0.69 10.12 1.51 -1.26 -5.06 117.35 126.87 1xjd s TYR 598 Ca 0.35 -1.41 -0.16 0.00 -1.01 0.00 0.00 57.07 54.84 1xjd s TYR 598 Cb -0.18 -2.01 0.02 0.00 -0.11 0.00 0.00 41.96 39.68 1xjd s TYR 598 CO 0.17 -0.71 1.22 -2.14 -1.11 0.00 0.00 175.55 172.98 1xjd s PRO 599 N 1.35 2.35 0.62 -1.71 0.02 -1.26 -4.91 135.00 131.47 1xjd s PRO 599 Ca 0.04 1.81 0.40 0.00 0.02 0.00 0.00 61.00 63.27 1xjd s PRO 599 Cb -0.14 -1.85 2.01 0.00 0.02 0.00 0.00 34.50 34.53 1xjd s PRO 599 CO -0.08 -1.68 2.22 0.00 -0.33 0.00 0.00 177.00 177.13 1xjd h ARG 600 N 0.03 0.00 -0.01 5.54 -0.00 -2.04 -2.13 114.38 115.78 1xjd h ARG 600 Ca -0.49 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 58.99 1xjd h ARG 600 Cb 1.30 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.27 1xjd h ARG 600 CO 0.51 0.00 -0.20 -2.67 0.00 0.00 0.00 179.97 177.61 1xjd n TRP 601 N -3.12 0.00 -2.34 3.04 4.27 -1.26 -4.86 117.44 113.18 1xjd n TRP 601 Ca -0.02 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.17 1xjd n TRP 601 Cb 0.16 -0.15 -0.03 0.00 -1.36 0.00 0.00 31.31 29.94 1xjd n TRP 601 CO 0.00 0.00 0.00 -1.17 -2.29 0.00 0.00 177.69 174.23 1xjd s LEU 602 N -2.50 4.28 0.43 5.67 2.96 -0.80 -4.96 118.68 123.76 1xjd s LEU 602 Ca 0.26 1.93 -0.25 0.00 -0.22 0.00 0.00 54.13 55.85 1xjd s LEU 602 Cb 0.19 -3.55 -0.10 0.00 0.50 0.00 0.00 46.19 43.23 1xjd s LEU 602 CO 0.50 -0.69 1.17 1.21 -1.32 0.00 0.00 176.35 177.23 1xjd n GLU 603 N 5.61 1.67 -0.15 1.98 4.07 -1.26 -4.78 120.64 127.77 1xjd n GLU 603 Ca 0.13 0.60 -0.03 0.00 -0.06 0.00 0.00 57.16 57.79 1xjd n GLU 603 Cb 0.45 -2.25 0.06 0.00 -0.06 0.00 0.00 31.44 29.64 1xjd n GLU 603 CO 0.00 0.00 0.00 0.87 -0.06 0.00 0.00 177.13 177.94 1xjd h LYS 604 N 1.81 0.33 0.00 5.31 6.56 -1.97 -1.42 116.57 127.20 1xjd h LYS 604 Ca -0.47 -0.02 -0.04 0.00 -1.06 0.00 0.00 60.65 59.07 1xjd h LYS 604 Cb 1.31 -0.07 -0.01 0.00 -0.57 0.00 0.00 32.23 32.89 1xjd h LYS 604 CO 0.58 0.22 -0.18 0.93 -2.06 0.00 0.00 179.45 178.94 1xjd h GLU 605 N 0.34 0.00 -0.02 3.15 4.39 -1.99 -0.67 114.58 119.79 1xjd h GLU 605 Ca 0.23 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.73 1xjd h GLU 605 Cb 0.24 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 28.91 1xjd h GLU 605 CO -0.24 0.18 -0.78 0.00 -1.16 0.00 0.00 179.01 177.02 1xjd h ALA 606 N 1.82 0.12 -0.78 3.43 0.00 -1.74 -2.16 119.26 119.94 1xjd h ALA 606 Ca -0.00 -0.62 -0.01 0.00 0.00 0.00 0.00 54.91 54.29 1xjd h ALA 606 Cb 0.56 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 1xjd h ALA 606 CO 0.02 0.50 0.46 -0.22 0.00 0.00 0.00 179.25 180.02 1xjd h LYS 607 N 0.14 1.07 -0.70 0.00 3.64 -0.99 -1.85 116.57 117.89 1xjd h LYS 607 Ca -0.09 -0.10 -0.04 0.00 -1.27 0.00 0.00 60.65 59.14 1xjd h LYS 607 Cb 1.46 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 33.02 1xjd h LYS 607 CO 0.15 0.76 0.26 0.22 -2.27 0.00 0.00 179.45 178.57 1xjd h ASP 608 N 1.07 0.96 -0.14 4.20 1.82 -1.11 -0.42 116.42 122.79 1xjd h ASP 608 Ca 0.28 -0.15 -0.02 0.00 -0.39 0.00 0.00 57.03 56.75 1xjd h ASP 608 Cb -0.02 -0.25 -0.01 0.00 0.68 0.00 0.00 39.33 39.73 1xjd h ASP 608 CO -0.05 0.87 0.02 0.25 -1.61 0.00 0.00 179.24 178.72 1xjd h LEU 609 N 1.01 0.23 -0.81 2.28 5.85 -0.91 -2.13 115.31 120.83 1xjd h LEU 609 Ca 0.23 -0.27 0.01 0.00 0.84 0.00 0.00 57.88 58.69 1xjd h LEU 609 Cb 0.23 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.15 1xjd h LEU 609 CO -0.02 0.44 0.53 -0.07 -0.34 0.00 0.00 178.44 178.99 1xjd h LEU 610 N 0.01 0.92 -0.87 2.25 3.38 -1.10 -0.96 115.31 118.94 1xjd h LEU 610 Ca 0.04 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1xjd h LEU 610 Cb 0.31 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 1xjd h LEU 610 CO 0.00 0.66 0.40 0.58 0.09 0.00 0.00 178.44 180.18 1xjd h VAL 611 N 1.08 1.26 0.00 1.22 2.07 -0.99 0.18 116.25 121.07 1xjd h VAL 611 Ca 0.30 -0.73 -0.04 0.00 0.82 0.00 0.00 66.70 67.05 1xjd h VAL 611 Cb -0.11 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 29.84 1xjd h VAL 611 CO -0.07 0.31 -0.18 0.11 0.02 0.00 0.00 177.57 177.77 1xjd h LYS 612 N 1.21 0.00 0.02 1.57 1.57 -0.85 -2.98 116.57 117.10 1xjd h LYS 612 Ca 0.29 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.81 1xjd h LYS 612 Cb 0.12 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.40 1xjd h LYS 612 CO -0.04 0.18 -1.38 -0.07 -0.57 0.00 0.00 179.45 177.57 1xjd h LEU 613 N 0.00 0.06 -2.42 2.94 3.38 -0.19 -2.82 115.31 116.26 1xjd h LEU 613 Ca -0.00 -0.08 -0.11 0.00 0.09 0.00 0.00 57.88 57.77 1xjd h LEU 613 Cb 0.78 -0.02 -0.07 0.00 0.09 0.00 0.00 40.66 41.44 1xjd h LEU 613 CO 0.02 1.07 0.15 0.49 0.09 0.00 0.00 178.44 180.26 1xjd n PHE 614 N -3.24 0.99 -2.55 1.13 3.72 0.55 -4.64 117.46 113.42 1xjd n PHE 614 Ca -0.10 -0.70 -0.42 0.00 -0.05 0.00 0.00 57.45 56.18 1xjd n PHE 614 Cb 1.00 -0.41 -0.03 0.00 -0.94 0.00 0.00 39.48 39.11 1xjd n PHE 614 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1xjd s VAL 615 N -1.39 4.46 0.09 -4.37 1.01 -1.23 -4.95 120.40 114.02 1xjd s VAL 615 Ca 0.21 1.76 -0.27 0.00 0.00 0.00 0.00 61.98 63.68 1xjd s VAL 615 Cb 0.17 -4.13 -0.15 0.00 0.00 0.00 0.00 36.38 32.27 1xjd s VAL 615 CO 0.05 0.02 1.68 0.03 0.00 0.00 0.00 175.10 176.88 1xjd h ARG 616 N 7.22 -0.40 -6.10 2.72 -0.00 -1.94 -3.40 114.38 112.47 1xjd h ARG 616 Ca -0.34 0.03 -0.58 0.00 -0.50 0.00 0.00 59.98 58.58 1xjd h ARG 616 Cb 1.17 0.09 -0.01 0.00 0.00 0.00 0.00 29.97 31.21 1xjd h ARG 616 CO 0.85 -0.27 1.40 -2.00 0.00 0.00 0.00 179.97 179.96 1xjd s GLU 617 N -6.12 3.18 0.44 0.04 2.56 -1.26 -4.64 118.70 112.90 1xjd s GLU 617 Ca -0.15 1.72 0.16 0.00 0.00 0.00 0.00 54.97 56.70 1xjd s GLU 617 Cb 0.06 -4.30 1.06 0.00 2.00 0.00 0.00 34.13 32.95 1xjd s GLU 617 CO 0.64 -2.04 1.94 -1.00 -0.56 0.00 0.00 175.26 174.25 1xjd h PRO 618 N 14.23 0.38 0.00 4.30 0.13 -1.98 -1.65 132.00 147.41 1xjd h PRO 618 Ca -0.37 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1xjd h PRO 618 Cb 1.21 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1xjd h PRO 618 CO 1.00 0.25 0.00 0.39 -0.23 0.00 0.00 178.00 179.41 1xjd n GLU 619 N -4.47 0.02 -0.13 0.86 1.02 -1.26 -2.38 120.64 114.31 1xjd n GLU 619 Ca 0.13 0.18 0.05 0.00 -0.02 0.00 0.00 57.16 57.49 1xjd n GLU 619 Cb 0.48 -1.50 0.11 0.00 -0.02 0.00 0.00 31.44 30.52 1xjd n GLU 619 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1xjd n LYS 620 N -1.49 2.59 -3.05 3.49 5.02 -0.63 -4.54 118.16 119.55 1xjd n LYS 620 Ca 0.05 -1.84 -0.40 0.00 -2.02 0.00 0.00 58.31 54.10 1xjd n LYS 620 Cb 0.21 -1.21 -0.05 0.00 -0.02 0.00 0.00 35.03 33.96 1xjd n LYS 620 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1xjd s ARG 621 N -0.97 4.43 0.33 1.97 3.52 -1.00 -4.86 118.95 122.38 1xjd s ARG 621 Ca 0.18 0.89 -0.28 0.00 -0.13 0.00 0.00 55.73 56.39 1xjd s ARG 621 Cb 0.09 -3.42 -0.12 0.00 -1.56 0.00 0.00 34.95 29.94 1xjd s ARG 621 CO 0.13 0.12 1.33 -0.11 -0.81 0.00 0.00 175.30 175.96 1xjd n LEU 622 N 3.54 3.65 0.00 -0.88 7.94 -1.06 -0.65 117.00 129.53 1xjd n LEU 622 Ca -0.02 1.20 0.00 0.00 -1.11 0.00 0.00 56.01 56.08 1xjd n LEU 622 Cb 0.51 -1.50 0.00 0.00 0.53 0.00 0.00 43.42 42.97 1xjd n LEU 622 CO 0.47 -0.40 0.00 0.61 -1.11 0.00 0.00 177.39 176.96 1xjd n GLY 623 N 0.94 3.08 0.12 -3.96 0.00 -1.26 -4.67 105.19 99.44 1xjd n GLY 623 Ca 0.05 -0.94 -0.23 0.00 0.00 0.00 0.00 46.02 44.90 1xjd n GLY 623 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1xjd n VAL 624 N 0.00 1.60 -4.71 1.61 0.31 0.18 -4.90 118.33 112.42 1xjd n VAL 624 Ca 0.00 -0.28 -0.33 0.00 -0.01 0.00 0.00 64.34 63.72 1xjd n VAL 624 Cb 0.00 -1.90 -0.12 0.00 -0.91 0.00 0.00 33.84 30.91 1xjd n VAL 624 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 1xjd s ARG 625 N -2.45 2.59 1.30 5.55 3.52 0.05 -5.01 118.95 124.50 1xjd s ARG 625 Ca -0.29 -0.65 0.00 0.00 -0.13 0.00 0.00 55.73 54.66 1xjd s ARG 625 Cb 0.08 -2.47 0.00 0.00 -1.56 0.00 0.00 34.95 30.99 1xjd s ARG 625 CO 0.62 0.63 0.00 0.41 -0.81 0.00 0.00 175.30 176.16 1xjd n GLY 626 N 2.12 -1.87 2.86 8.12 0.00 -1.26 -4.14 105.19 111.01 1xjd n GLY 626 Ca -0.17 -1.43 -0.30 0.00 0.00 0.00 0.00 46.02 44.12 1xjd n GLY 626 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xjd s ASP 627 N -4.00 4.30 0.58 1.61 -1.08 -1.26 -4.62 116.67 112.20 1xjd s ASP 627 Ca 0.00 -2.02 0.27 0.00 -0.52 0.00 0.00 52.55 50.28 1xjd s ASP 627 Cb 0.00 -1.23 1.60 0.00 -1.46 0.00 0.00 42.92 41.83 1xjd s ASP 627 CO 0.00 -0.38 2.10 -0.29 0.52 0.00 0.00 175.17 177.12 1xjd h ILE 628 N 6.36 0.55 0.00 4.11 2.10 -1.92 -0.85 117.51 127.85 1xjd h ILE 628 Ca -0.08 0.00 -0.05 0.00 1.08 0.00 0.00 64.86 65.80 1xjd h ILE 628 Cb 1.00 0.84 -0.01 0.00 -1.09 0.00 0.00 36.82 37.57 1xjd h ILE 628 CO 0.50 0.00 -0.26 0.03 -1.08 0.00 0.00 178.15 177.35 1xjd h ARG 629 N 0.00 0.00 -0.17 2.19 3.08 -2.01 -2.58 114.38 114.89 1xjd h ARG 629 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.15 1xjd h ARG 629 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.55 1xjd h ARG 629 CO -0.00 0.26 0.00 1.04 -1.07 0.00 0.00 179.97 180.20 1xjd n GLN 630 N -3.79 1.53 -2.27 0.04 6.02 -0.32 -4.77 117.38 113.80 1xjd n GLN 630 Ca -0.01 -0.80 -0.41 0.00 -0.01 0.00 0.00 57.00 55.76 1xjd n GLN 630 Cb 0.35 -1.28 -0.03 0.00 1.02 0.00 0.00 30.24 30.30 1xjd n GLN 630 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1xjd s HIS 631 N -1.77 3.29 0.45 1.08 2.46 -0.97 -4.89 115.29 114.94 1xjd s HIS 631 Ca 0.24 1.45 0.29 0.00 0.47 0.00 0.00 55.06 57.50 1xjd s HIS 631 Cb 0.12 -3.52 1.35 0.00 -0.13 0.00 0.00 32.58 30.41 1xjd s HIS 631 CO 0.18 -1.42 1.71 -1.35 -2.47 0.00 0.00 174.74 171.39 1xjd h PRO 632 N 4.18 0.17 -0.40 2.88 0.11 -1.91 -0.13 132.00 136.90 1xjd h PRO 632 Ca -0.47 -0.01 0.11 0.00 0.11 0.00 0.00 66.00 65.74 1xjd h PRO 632 Cb 1.22 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 1xjd h PRO 632 CO 0.70 0.11 0.29 1.25 -0.21 0.00 0.00 178.00 180.14 1xjd h LEU 633 N 0.18 0.05 -3.29 2.35 5.85 -1.90 -0.97 115.31 117.57 1xjd h LEU 633 Ca 0.70 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.42 1xjd h LEU 633 Cb 2.21 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 43.23 1xjd h LEU 633 CO -0.27 0.03 0.00 0.49 -0.34 0.00 0.00 178.44 178.35 1xjd n PHE 634 N -4.43 1.62 -0.29 1.25 3.72 -0.06 -4.70 117.46 114.57 1xjd n PHE 634 Ca 0.06 -0.67 0.19 0.00 -0.05 0.00 0.00 57.45 56.98 1xjd n PHE 634 Cb 0.44 -0.34 0.48 0.00 -0.94 0.00 0.00 39.48 39.12 1xjd n PHE 634 CO 0.00 0.00 0.00 0.07 -0.05 0.00 0.00 176.76 176.78 1xjd h ARG 635 N 3.82 0.46 -0.01 -1.08 0.11 -1.23 -0.27 114.38 116.18 1xjd h ARG 635 Ca 0.00 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 60.05 1xjd h ARG 635 Cb 1.62 -0.10 0.00 0.00 1.11 0.00 0.00 29.97 32.60 1xjd h ARG 635 CO 0.32 0.30 -0.02 0.39 0.10 0.00 0.00 179.97 181.06 1xjd n GLU 636 N -4.58 1.22 -3.26 0.08 1.02 -1.26 -4.87 120.64 108.99 1xjd n GLU 636 Ca 0.22 -0.43 -0.38 0.00 -0.02 0.00 0.00 57.16 56.54 1xjd n GLU 636 Cb 0.72 -1.49 -0.06 0.00 -0.02 0.00 0.00 31.44 30.60 1xjd n GLU 636 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1xjd s ILE 637 N -2.07 5.16 -0.54 -3.67 1.01 -0.11 -5.01 121.20 115.96 1xjd s ILE 637 Ca 0.41 1.06 -0.17 0.00 0.00 0.00 0.00 60.65 61.95 1xjd s ILE 637 Cb 0.21 -3.86 0.11 0.00 0.01 0.00 0.00 42.46 38.93 1xjd s ILE 637 CO 0.37 0.31 0.54 0.21 0.00 0.00 0.00 174.94 176.37 1xjd s ASN 638 N 0.66 6.18 0.29 3.58 3.84 -1.26 -4.95 114.94 123.29 1xjd s ASN 638 Ca 0.28 -1.58 0.01 0.00 0.21 0.00 0.00 52.86 51.78 1xjd s ASN 638 Cb -0.16 -2.23 0.54 0.00 -0.55 0.00 0.00 41.25 38.85 1xjd s ASN 638 CO 0.12 -0.89 1.88 -0.50 -2.79 0.00 0.00 177.10 174.92 1xjd h TRP 639 N 8.94 1.09 -0.41 0.43 4.06 -1.95 -0.21 115.95 127.90 1xjd h TRP 639 Ca -0.29 0.03 -0.08 0.00 2.06 0.00 0.00 58.89 60.61 1xjd h TRP 639 Cb 1.10 -0.35 -0.01 0.00 -1.00 0.00 0.00 29.16 28.89 1xjd h TRP 639 CO 0.74 0.51 -0.05 0.93 -3.56 0.00 0.00 178.44 177.01 1xjd h GLU 640 N 1.02 0.75 -0.26 0.49 5.08 -2.00 -1.68 114.58 117.99 1xjd h GLU 640 Ca 0.44 -0.27 -0.08 0.00 -1.00 0.00 0.00 59.36 58.45 1xjd h GLU 640 Cb 0.33 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1xjd h GLU 640 CO -0.19 0.86 -0.19 0.93 -1.00 0.00 0.00 179.01 179.42 1xjd h GLU 641 N 0.58 0.46 -0.04 2.33 5.08 -1.85 -2.18 114.58 118.95 1xjd h GLU 641 Ca 0.11 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1xjd h GLU 641 Cb 0.56 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.77 1xjd h GLU 641 CO 0.03 0.64 0.02 1.25 -1.00 0.00 0.00 179.01 179.95 1xjd h LEU 642 N 0.42 0.05 -1.60 1.33 5.85 -0.72 0.14 115.31 120.77 1xjd h LEU 642 Ca 0.07 -0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 1xjd h LEU 642 Cb 0.58 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.59 1xjd h LEU 642 CO 0.04 0.08 -0.10 -0.08 -0.34 0.00 0.00 178.44 178.04 1xjd h GLU 643 N 0.01 0.13 -0.02 1.25 4.81 -1.14 0.21 114.58 119.82 1xjd h GLU 643 Ca 0.01 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1xjd h GLU 643 Cb 0.04 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.40 1xjd h GLU 643 CO -0.00 0.24 0.00 0.54 -0.73 0.00 0.00 179.01 179.06 1xjd n ARG 644 N -4.35 1.19 -3.64 1.92 1.74 -0.84 -4.82 116.66 107.87 1xjd n ARG 644 Ca -0.01 -0.28 -0.24 0.00 -0.77 0.00 0.00 57.85 56.55 1xjd n ARG 644 Cb 0.22 -1.42 0.07 0.00 -1.02 0.00 0.00 32.46 30.30 1xjd n ARG 644 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1xjd n LYS 645 N -0.60 -7.07 -0.26 5.56 5.02 0.73 -4.89 118.16 116.65 1xjd n LYS 645 Ca 0.19 0.77 0.11 0.00 -2.02 0.00 0.00 58.31 57.36 1xjd n LYS 645 Cb 0.16 -5.76 0.25 0.00 -0.02 0.00 0.00 35.03 29.66 1xjd n LYS 645 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1xjd n GLU 646 N -4.75 2.58 -3.97 1.97 1.02 0.34 -4.78 120.64 113.06 1xjd n GLU 646 Ca -0.06 -2.38 -0.34 0.00 -0.02 0.00 0.00 57.16 54.36 1xjd n GLU 646 Cb 0.58 -1.49 -0.14 0.00 -0.02 0.00 0.00 31.44 30.36 1xjd n GLU 646 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1xjd s ILE 647 N -1.18 2.78 0.54 -3.67 1.01 -1.26 -4.96 121.20 114.46 1xjd s ILE 647 Ca 0.40 -1.21 -0.21 0.00 0.00 0.00 0.00 60.65 59.64 1xjd s ILE 647 Cb 0.22 -2.49 -0.05 0.00 0.01 0.00 0.00 42.46 40.16 1xjd s ILE 647 CO 0.30 0.09 1.26 -1.81 0.00 0.00 0.00 174.94 174.78 1xjd s ASP 648 N 1.27 5.44 0.77 3.58 1.11 -1.26 -4.99 116.67 122.60 1xjd s ASP 648 Ca -0.02 2.52 0.00 0.00 0.18 0.00 0.00 52.55 55.22 1xjd s ASP 648 Cb -0.18 -2.61 0.00 0.00 1.07 0.00 0.00 42.92 41.20 1xjd s ASP 648 CO -0.04 -1.43 0.00 -2.65 1.18 0.00 0.00 175.17 172.23 1xjd n PRO 649 N -1.11 -1.31 -0.39 8.23 -0.02 -1.26 -5.15 135.00 133.99 1xjd n PRO 649 Ca 0.11 0.00 0.34 0.00 -2.02 0.00 0.00 63.50 61.93 1xjd n PRO 649 Cb 0.47 0.00 0.61 0.00 -0.02 0.00 0.00 33.50 34.57 1xjd n PRO 649 CO 0.00 0.00 0.00 -0.56 1.98 0.00 0.00 175.50 176.92 1xjd h GLN 688 N 0.00 0.05 -0.64 -0.52 3.07 -2.08 -3.48 115.11 111.51 1xjd h GLN 688 Ca 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1xjd h GLN 688 Cb 0.00 -0.01 0.00 0.00 0.08 0.00 0.00 27.48 27.55 1xjd h GLN 688 CO 0.00 0.04 0.00 0.09 0.09 0.00 0.00 178.83 179.05 1xjd n ASN 689 N -4.98 0.64 -0.09 0.06 3.02 -1.26 -4.68 115.26 107.97 1xjd n ASN 689 Ca 0.38 -1.87 0.06 0.00 -0.03 0.00 0.00 54.58 53.12 1xjd n ASN 689 Cb 1.36 -0.32 0.11 0.00 -0.61 0.00 0.00 39.78 40.32 1xjd n ASN 689 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 1xjd n MET 690 N -0.13 -0.02 -2.84 3.52 2.81 -1.26 -2.53 117.12 116.67 1xjd n MET 690 Ca 0.00 0.38 -0.27 0.00 -1.81 0.00 0.00 57.70 56.00 1xjd n MET 690 Cb 0.16 -0.64 -0.03 0.00 -0.71 0.00 0.00 33.22 32.00 1xjd n MET 690 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 1xjd n PHE 691 N -3.91 3.85 -3.28 2.03 3.01 -1.26 -5.06 117.46 112.83 1xjd n PHE 691 Ca 0.08 -3.79 -0.37 0.00 1.01 0.00 0.00 57.45 54.38 1xjd n PHE 691 Cb 0.26 -0.39 -0.06 0.00 -0.01 0.00 0.00 39.48 39.28 1xjd n PHE 691 CO 0.00 0.00 0.00 0.50 1.01 0.00 0.00 176.76 178.27 1xjd s ARG 692 N -3.48 4.10 -1.18 -1.08 3.52 -1.05 -3.87 118.95 115.91 1xjd s ARG 692 Ca 0.49 0.64 0.00 0.00 -0.13 0.00 0.00 55.73 56.73 1xjd s ARG 692 Cb 0.31 -3.03 0.00 0.00 -1.56 0.00 0.00 34.95 30.67 1xjd s ARG 692 CO -0.15 0.52 0.00 0.09 -0.81 0.00 0.00 175.30 174.95 1xjd n ASN 693 N 1.11 -4.20 -1.66 -2.12 5.03 -1.26 -5.22 115.26 106.94 1xjd n ASN 693 Ca -0.07 0.16 -0.02 0.00 0.87 0.00 0.00 54.58 55.53 1xjd n ASN 693 Cb 0.51 -3.06 -0.03 0.00 -1.02 0.00 0.00 39.78 36.19 1xjd n ASN 693 CO 0.00 0.00 0.00 0.33 -1.83 0.00 0.00 177.26 175.76 1xjd n PHE 694 N -3.25 0.00 0.00 3.10 7.35 -1.25 -5.18 117.46 118.23 1xjd n PHE 694 Ca -0.13 -0.96 0.00 0.00 -0.76 0.00 0.00 57.45 55.60 1xjd n PHE 694 Cb 0.49 -0.66 0.00 0.00 0.35 0.00 0.00 39.48 39.66 1xjd n PHE 694 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34