#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dpl n SER 402 N 0.00 -5.96 0.04 4.31 7.64 -1.26 -4.91 113.62 113.48 3dpl n SER 402 Ca 0.00 0.55 -0.20 0.00 1.01 0.00 0.00 58.87 60.23 3dpl n SER 402 Cb 0.00 -1.31 -0.14 0.00 -1.01 0.00 0.00 64.21 61.74 3dpl n SER 402 CO 0.00 0.00 0.00 0.07 -3.01 0.00 0.00 175.04 172.10 3dpl h LYS 403 N 3.83 0.28 -6.28 1.43 2.10 -2.00 -3.45 116.57 112.49 3dpl h LYS 403 Ca 0.00 -0.48 -0.64 0.00 -2.00 0.00 0.00 60.65 57.53 3dpl h LYS 403 Cb 0.45 0.18 0.02 0.00 -0.90 0.00 0.00 32.23 31.99 3dpl h LYS 403 CO 0.00 1.23 1.00 0.00 -2.00 0.00 0.00 179.45 179.68 3dpl h PRO 405 N 8.27 0.74 -0.37 0.00 0.11 -1.88 -2.00 132.00 136.86 3dpl h PRO 405 Ca -0.48 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 65.49 3dpl h PRO 405 Cb 1.28 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 3dpl h PRO 405 CO 0.94 0.49 -0.15 1.49 -0.21 0.00 0.00 178.00 180.56 3dpl h GLU 406 N 0.76 0.76 -0.83 1.05 4.81 -1.90 -1.70 114.58 117.52 3dpl h GLU 406 Ca 0.50 -0.32 0.05 0.00 -0.13 0.00 0.00 59.36 59.46 3dpl h GLU 406 Cb 0.76 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 30.06 3dpl h GLU 406 CO -0.26 0.93 0.55 0.93 -0.73 0.00 0.00 179.01 180.42 3dpl h GLU 407 N 0.55 0.94 0.00 1.92 5.08 -1.76 -0.42 114.58 120.89 3dpl h GLU 407 Ca 0.09 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 58.30 3dpl h GLU 407 Cb 0.68 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 3dpl h GLU 407 CO 0.05 0.62 -0.43 -0.07 -1.00 0.00 0.00 179.01 178.18 3dpl h LEU 408 N 0.97 0.00 0.11 1.33 3.38 -1.12 -0.61 115.31 119.36 3dpl h LEU 408 Ca 0.35 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 58.04 3dpl h LEU 408 Cb 0.14 0.00 0.03 0.00 0.09 0.00 0.00 40.66 40.92 3dpl h LEU 408 CO -0.12 0.43 -1.17 0.00 0.09 0.00 0.00 178.44 177.67 3dpl h ALA 409 N 1.57 -0.00 0.03 1.53 0.00 -0.32 -2.50 119.26 119.56 3dpl h ALA 409 Ca -0.00 -0.75 -0.00 0.00 0.00 0.00 0.00 54.91 54.15 3dpl h ALA 409 Cb 0.81 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.71 3dpl h ALA 409 CO 0.06 0.64 -0.01 -0.91 0.00 0.00 0.00 179.25 179.02 3dpl h ASN 410 N 0.22 -0.03 -0.41 0.00 2.35 -0.99 -1.02 115.58 115.69 3dpl h ASN 410 Ca -0.18 -0.05 0.08 0.00 -0.55 0.00 0.00 56.30 55.61 3dpl h ASN 410 Cb 1.85 0.01 -0.08 0.00 0.05 0.00 0.00 38.32 40.15 3dpl h ASN 410 CO 0.22 0.03 -0.13 0.22 -1.65 0.00 0.00 177.43 176.12 3dpl h TYR 411 N -0.09 -0.29 -0.98 1.19 3.20 -1.17 0.17 116.97 119.00 3dpl h TYR 411 Ca -0.00 0.04 0.09 0.00 3.14 0.00 0.00 58.73 62.00 3dpl h TYR 411 Cb 0.08 0.19 -0.08 0.00 1.54 0.00 0.00 36.73 38.46 3dpl h TYR 411 CO -0.06 -0.21 0.62 0.00 -1.64 0.00 0.00 178.16 176.88 3dpl h ASP 413 N 1.06 0.85 -0.11 0.00 3.58 0.47 -1.85 116.42 120.42 3dpl h ASP 413 Ca 0.46 -0.26 0.03 0.00 0.42 0.00 0.00 57.03 57.67 3dpl h ASP 413 Cb 0.33 -0.23 -0.00 0.00 1.72 0.00 0.00 39.33 41.15 3dpl h ASP 413 CO -0.22 0.90 0.17 -0.03 -2.88 0.00 0.00 179.24 177.18 3dpl h MET 414 N 0.77 0.00 0.00 0.28 4.05 0.58 0.26 114.93 120.86 3dpl h MET 414 Ca 0.16 0.00 -0.27 0.00 -0.28 0.00 0.00 59.70 59.31 3dpl h MET 414 Cb 0.42 0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 31.17 3dpl h MET 414 CO 0.01 0.00 -1.87 1.28 0.23 0.00 0.00 176.91 176.56 3dpl n LEU 415 N -3.54 0.55 0.02 3.39 4.77 -0.86 -3.86 117.00 117.47 3dpl n LEU 415 Ca -0.00 0.26 0.11 0.00 -0.03 0.00 0.00 56.01 56.35 3dpl n LEU 415 Cb 0.27 0.24 0.01 0.00 -2.33 0.00 0.00 43.42 41.61 3dpl n LEU 415 CO 0.24 0.35 -0.02 0.18 -1.33 0.00 0.00 177.39 176.81 3dpl n LEU 416 N -2.88 0.61 -4.90 2.23 4.77 -0.75 -4.74 117.00 111.34 3dpl n LEU 416 Ca -0.20 -0.05 -0.32 0.00 -0.03 0.00 0.00 56.01 55.41 3dpl n LEU 416 Cb 1.01 -0.09 -0.05 0.00 -2.33 0.00 0.00 43.42 41.97 3dpl n LEU 416 CO 0.44 0.06 -0.02 -0.60 -1.33 0.00 0.00 177.39 175.94 3dpl s ARG 417 N -3.19 3.58 -0.35 3.23 3.52 0.84 -1.52 118.95 125.06 3dpl s ARG 417 Ca 0.04 -0.16 -0.28 0.00 -0.13 0.00 0.00 55.73 55.20 3dpl s ARG 417 Cb 0.15 -2.92 -0.03 0.00 -1.56 0.00 0.00 34.95 30.59 3dpl s ARG 417 CO 0.81 0.52 1.92 0.15 -0.81 0.00 0.00 175.30 177.89 3dpl s LYS 418 N -2.52 3.14 0.13 5.12 1.02 0.17 -4.52 119.74 122.28 3dpl s LYS 418 Ca 0.38 1.45 -0.08 0.00 0.02 0.00 0.00 55.97 57.74 3dpl s LYS 418 Cb -0.12 -4.28 -0.01 0.00 -0.52 0.00 0.00 37.83 32.90 3dpl s LYS 418 CO 0.24 -2.09 0.23 0.95 -0.92 0.00 0.00 175.35 173.76 3dpl s THR 419 N 7.73 0.10 0.40 2.17 -4.23 -1.26 -4.98 115.64 115.57 3dpl s THR 419 Ca 0.83 -1.36 0.21 0.00 -1.18 0.00 0.00 61.69 60.19 3dpl s THR 419 Cb -0.23 -1.67 0.41 0.00 1.34 0.00 0.00 72.50 72.35 3dpl s THR 419 CO 0.32 -0.45 1.73 -0.65 -0.54 0.00 0.00 174.62 175.03 3dpl h PRO 420 N 2.65 0.31 0.02 3.99 0.11 -1.91 0.15 132.00 137.32 3dpl h PRO 420 Ca -0.33 -0.02 -0.16 0.00 0.11 0.00 0.00 66.00 65.61 3dpl h PRO 420 Cb 1.21 -0.07 0.01 0.00 0.11 0.00 0.00 31.00 32.27 3dpl h PRO 420 CO 0.52 0.20 -0.62 1.25 -0.21 0.00 0.00 178.00 179.15 3dpl h LEU 421 N 0.32 0.52 -2.07 2.35 5.85 -1.94 -2.84 115.31 117.50 3dpl h LEU 421 Ca 0.66 -0.78 0.07 0.00 0.84 0.00 0.00 57.88 58.67 3dpl h LEU 421 Cb 1.77 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.63 3dpl h LEU 421 CO -0.34 1.24 0.20 -1.28 -0.34 0.00 0.00 178.44 177.91 3dpl h SER 422 N -0.14 0.00 0.81 1.25 0.87 -0.93 -1.48 113.55 113.93 3dpl h SER 422 Ca -0.08 0.00 -0.24 0.00 -1.23 0.00 0.00 61.79 60.24 3dpl h SER 422 Cb 1.35 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.28 3dpl h SER 422 CO 0.12 0.00 -1.18 0.50 -0.53 0.00 0.00 176.83 175.74 3dpl h LYS 423 N 0.00 0.08 -1.34 2.24 3.64 -0.95 -3.32 116.57 116.92 3dpl h LYS 423 Ca 0.12 -0.14 -0.19 0.00 -1.27 0.00 0.00 60.65 59.17 3dpl h LYS 423 Cb 0.51 0.05 -0.09 0.00 -0.41 0.00 0.00 32.23 32.29 3dpl h LYS 423 CO -0.00 1.00 0.24 1.63 -2.27 0.00 0.00 179.45 180.05 3dpl n LYS 424 N -3.37 1.46 -3.62 1.90 5.02 -0.56 -4.86 118.16 114.14 3dpl n LYS 424 Ca -0.05 -0.99 -0.16 0.00 -2.02 0.00 0.00 58.31 55.09 3dpl n LYS 424 Cb 0.98 -1.39 -0.07 0.00 -0.02 0.00 0.00 35.03 34.53 3dpl n LYS 424 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3dpl s LEU 425 N -1.12 -0.16 0.55 -0.35 1.43 -1.24 -5.03 118.68 112.76 3dpl s LEU 425 Ca 0.19 0.65 -0.03 0.00 -1.03 0.00 0.00 54.13 53.91 3dpl s LEU 425 Cb 0.15 2.09 0.02 0.00 0.03 0.00 0.00 46.19 48.48 3dpl s LEU 425 CO 0.02 -0.48 0.82 0.42 0.23 0.00 0.00 176.35 177.35 3dpl s THR 426 N -0.90 3.43 0.16 5.49 -4.23 -1.26 -4.85 115.64 113.49 3dpl s THR 426 Ca -0.09 -0.31 -0.26 0.00 -1.18 0.00 0.00 61.69 59.85 3dpl s THR 426 Cb -0.02 -3.33 0.03 0.00 1.34 0.00 0.00 72.50 70.52 3dpl s THR 426 CO 0.06 -0.29 1.57 0.28 -0.54 0.00 0.00 174.62 175.71 3dpl h SER 427 N 0.01 -1.46 -0.67 3.99 0.02 -1.99 -0.62 113.55 112.83 3dpl h SER 427 Ca -0.45 0.24 0.11 0.00 -0.84 0.00 0.00 61.79 60.85 3dpl h SER 427 Cb 1.27 0.66 -0.08 0.00 0.14 0.00 0.00 62.40 64.39 3dpl h SER 427 CO 0.58 -0.34 0.27 -0.33 -1.14 0.00 0.00 176.83 175.87 3dpl h GLU 428 N -0.25 0.44 0.24 3.45 3.07 -1.98 0.31 114.58 119.86 3dpl h GLU 428 Ca 0.17 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 58.99 3dpl h GLU 428 Cb 0.57 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.38 3dpl h GLU 428 CO -0.65 0.29 -0.12 0.93 -1.40 0.00 0.00 179.01 178.06 3dpl h GLU 429 N 0.45 -0.32 0.43 2.33 5.08 -1.61 -1.26 114.58 119.69 3dpl h GLU 429 Ca 0.35 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.72 3dpl h GLU 429 Cb 0.45 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 3dpl h GLU 429 CO -0.33 -0.20 -0.41 0.82 -1.00 0.00 0.00 179.01 177.89 3dpl h ILE 430 N -0.34 0.18 -0.45 3.13 2.04 -0.47 -2.04 117.51 119.56 3dpl h ILE 430 Ca -0.03 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.88 3dpl h ILE 430 Cb 0.26 0.18 -0.08 0.00 -0.74 0.00 0.00 36.82 36.44 3dpl h ILE 430 CO 0.06 0.00 -0.48 -0.08 0.00 0.00 0.00 178.15 177.64 3dpl h GLU 431 N -0.85 -0.26 -0.97 2.37 4.81 -0.35 0.26 114.58 119.58 3dpl h GLU 431 Ca -0.04 0.02 0.13 0.00 -0.13 0.00 0.00 59.36 59.34 3dpl h GLU 431 Cb 0.75 0.06 -0.09 0.00 0.63 0.00 0.00 28.75 30.10 3dpl h GLU 431 CO -0.05 -0.18 0.59 0.00 -0.73 0.00 0.00 179.01 178.65 3dpl h ALA 432 N -0.13 1.48 -0.21 2.92 0.00 -1.19 -0.80 119.26 121.33 3dpl h ALA 432 Ca 0.08 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 3dpl h ALA 432 Cb 0.48 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3dpl h ALA 432 CO -0.57 0.14 -0.35 0.87 0.00 0.00 0.00 179.25 179.34 3dpl h LYS 433 N 0.90 0.46 0.00 0.00 1.57 -0.34 -1.72 116.57 117.44 3dpl h LYS 433 Ca 0.50 -0.21 -0.09 0.00 -1.87 0.00 0.00 60.65 58.99 3dpl h LYS 433 Cb 0.56 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 3dpl h LYS 433 CO -0.29 0.75 -0.41 -0.07 -0.57 0.00 0.00 179.45 178.86 3dpl h LEU 434 N 0.39 0.00 -0.05 2.94 3.38 0.84 -2.79 115.31 120.02 3dpl h LEU 434 Ca 0.04 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.83 3dpl h LEU 434 Cb 0.80 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.53 3dpl h LEU 434 CO 0.06 0.41 -0.87 0.11 0.09 0.00 0.00 178.44 178.24 3dpl h LYS 435 N 0.00 0.00 0.00 1.13 1.57 -0.94 -2.93 116.57 115.40 3dpl h LYS 435 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3dpl h LYS 435 Cb 0.74 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.05 3dpl h LYS 435 CO 0.05 0.87 0.00 -0.85 -0.57 0.00 0.00 179.45 178.95 3dpl n GLU 436 N -3.35 0.92 -0.04 3.15 0.28 -0.68 -2.03 120.64 118.88 3dpl n GLU 436 Ca 0.00 0.00 -0.07 0.00 -0.16 0.00 0.00 57.16 56.93 3dpl n GLU 436 Cb 0.88 -1.01 -0.04 0.00 1.43 0.00 0.00 31.44 32.69 3dpl n GLU 436 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 3dpl n VAL 437 N -0.51 0.50 0.19 3.84 0.31 -1.17 -4.29 118.33 117.19 3dpl n VAL 437 Ca 0.01 -0.18 0.03 0.00 -0.01 0.00 0.00 64.34 64.19 3dpl n VAL 437 Cb 0.00 -0.98 0.42 0.00 -0.91 0.00 0.00 33.84 32.37 3dpl n VAL 437 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3dpl h LEU 438 N -0.07 0.05 -0.23 7.52 3.38 -1.37 -2.18 115.31 122.40 3dpl h LEU 438 Ca -0.20 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.73 3dpl h LEU 438 Cb 1.28 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 42.01 3dpl h LEU 438 CO -0.05 0.31 0.03 0.50 0.09 0.00 0.00 178.44 179.32 3dpl h LYS 439 N 0.05 0.39 0.00 1.13 3.64 -1.65 -2.10 116.57 118.03 3dpl h LYS 439 Ca 0.01 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 3dpl h LYS 439 Cb 0.48 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 3dpl h LYS 439 CO 0.03 0.53 0.00 1.63 -2.27 0.00 0.00 179.45 179.37 3dpl n LYS 440 N -4.70 0.04 0.14 1.90 5.02 -0.84 -2.72 118.16 117.00 3dpl n LYS 440 Ca -0.04 0.32 0.01 0.00 -2.02 0.00 0.00 58.31 56.58 3dpl n LYS 440 Cb 0.20 -1.50 0.29 0.00 -0.02 0.00 0.00 35.03 34.01 3dpl n LYS 440 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 3dpl h LEU 441 N 0.00 0.10 0.00 -0.35 3.38 -1.14 -2.92 115.31 114.39 3dpl h LEU 441 Ca 0.00 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3dpl h LEU 441 Cb 0.10 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3dpl h LEU 441 CO 0.00 0.49 0.00 0.29 0.09 0.00 0.00 178.44 179.31 3dpl n LYS 442 N -4.05 0.28 -0.05 1.13 5.02 -1.10 -1.21 118.16 118.16 3dpl n LYS 442 Ca -0.02 0.06 0.04 0.00 -2.02 0.00 0.00 58.31 56.37 3dpl n LYS 442 Cb 0.44 -1.50 0.06 0.00 -0.02 0.00 0.00 35.03 34.02 3dpl n LYS 442 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3dpl n TYR 443 N -1.09 0.14 -3.49 2.13 0.53 -1.10 -4.96 117.16 109.32 3dpl n TYR 443 Ca 0.07 -0.22 -0.37 0.00 -1.02 0.00 0.00 57.90 56.36 3dpl n TYR 443 Cb 0.05 -0.01 -0.08 0.00 -1.03 0.00 0.00 39.34 38.27 3dpl n TYR 443 CO 0.00 0.00 0.00 0.08 -1.02 0.00 0.00 176.86 175.92 3dpl s VAL 444 N -0.80 5.27 -0.03 -0.72 1.01 -0.35 -4.99 120.40 119.78 3dpl s VAL 444 Ca 0.12 0.57 -0.23 0.00 0.00 0.00 0.00 61.98 62.44 3dpl s VAL 444 Cb 0.07 -3.66 -0.16 0.00 0.00 0.00 0.00 36.38 32.63 3dpl s VAL 444 CO 0.10 0.32 1.04 1.56 0.00 0.00 0.00 175.10 178.12 3dpl h GLN 445 N 7.13 -0.26 -4.43 2.72 1.08 -1.93 -3.37 115.11 116.04 3dpl h GLN 445 Ca -0.38 0.02 -0.75 0.00 -1.45 0.00 0.00 58.65 56.08 3dpl h GLN 445 Cb 1.16 0.06 -0.21 0.00 -0.05 0.00 0.00 27.48 28.45 3dpl h GLN 445 CO 0.72 0.13 1.07 -0.80 -0.95 0.00 0.00 178.83 179.00 3dpl s ASN 446 N -5.34 7.11 0.46 1.46 0.01 -1.26 -3.79 114.94 113.60 3dpl s ASN 446 Ca -0.13 -3.11 0.26 0.00 -0.71 0.00 0.00 52.86 49.17 3dpl s ASN 446 Cb 0.01 -2.35 0.90 0.00 0.41 0.00 0.00 41.25 40.23 3dpl s ASN 446 CO 0.52 -0.64 1.81 0.11 -1.51 0.00 0.00 177.10 177.39 3dpl h LYS 447 N 7.11 0.00 0.00 -0.60 1.57 -1.32 -2.98 116.57 120.36 3dpl h LYS 447 Ca 0.27 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.03 3dpl h LYS 447 Cb 0.88 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.19 3dpl h LYS 447 CO 1.17 0.15 -0.07 0.38 -0.57 0.00 0.00 179.45 180.50 3dpl h ASP 448 N 0.00 0.00 -0.07 0.86 2.03 -0.94 -2.07 116.42 116.23 3dpl h ASP 448 Ca -0.00 0.00 -0.10 0.00 -0.73 0.00 0.00 57.03 56.19 3dpl h ASP 448 Cb 0.76 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.27 3dpl h ASP 448 CO 0.02 0.07 -0.36 0.58 -1.03 0.00 0.00 179.24 178.52 3dpl h VAL 449 N 0.00 1.41 0.04 4.15 2.07 -1.78 -1.45 116.25 120.69 3dpl h VAL 449 Ca -0.00 -1.75 -0.00 0.00 0.82 0.00 0.00 66.70 65.76 3dpl h VAL 449 Cb 0.28 2.31 0.00 0.00 -1.52 0.00 0.00 31.29 32.36 3dpl h VAL 449 CO 0.01 0.51 -0.02 0.15 0.02 0.00 0.00 177.57 178.24 3dpl h PHE 450 N -0.10 -0.04 -0.78 1.57 3.57 -1.67 -1.06 116.94 118.43 3dpl h PHE 450 Ca -0.02 -0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.59 3dpl h PHE 450 Cb 1.01 0.01 -0.08 0.00 2.79 0.00 0.00 35.95 39.69 3dpl h PHE 450 CO 0.13 0.20 0.40 0.52 -2.23 0.00 0.00 178.31 177.32 3dpl h MET 451 N -0.28 0.62 -0.17 1.11 2.86 -1.42 0.47 114.93 118.11 3dpl h MET 451 Ca -0.00 -0.04 -0.22 0.00 -2.06 0.00 0.00 59.70 57.38 3dpl h MET 451 Cb 0.26 -0.14 0.01 0.00 0.06 0.00 0.00 31.60 31.79 3dpl h MET 451 CO 0.01 0.41 -0.74 -0.09 1.06 0.00 0.00 176.91 177.56 3dpl h ARG 452 N 0.64 0.79 0.00 1.72 2.43 -1.11 -2.32 114.38 116.53 3dpl h ARG 452 Ca 0.40 -0.62 -0.18 0.00 -0.81 0.00 0.00 59.98 58.77 3dpl h ARG 452 Cb 0.47 0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.12 3dpl h ARG 452 CO -0.30 1.23 -0.85 1.88 -1.51 0.00 0.00 179.97 180.42 3dpl h TYR 453 N 0.55 0.11 -0.01 2.20 -1.99 -0.64 -1.79 116.97 115.40 3dpl h TYR 453 Ca -0.04 -0.06 -0.00 0.00 2.00 0.00 0.00 58.73 60.63 3dpl h TYR 453 Cb 1.36 -0.01 -0.00 0.00 2.00 0.00 0.00 36.73 40.08 3dpl h TYR 453 CO 0.08 0.88 0.00 1.25 -0.00 0.00 0.00 178.16 180.37 3dpl h HIS 454 N 0.04 0.01 -0.32 4.88 2.76 -0.10 -0.63 115.15 121.79 3dpl h HIS 454 Ca -0.02 -0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.14 3dpl h HIS 454 Cb 1.48 -0.00 -0.02 0.00 1.55 0.00 0.00 27.41 30.42 3dpl h HIS 454 CO 0.01 0.18 0.18 -0.22 -1.30 0.00 0.00 177.93 176.78 3dpl h LYS 455 N -0.17 0.43 -0.19 5.26 3.64 -1.39 0.73 116.57 124.87 3dpl h LYS 455 Ca 0.00 -0.03 -0.15 0.00 -1.27 0.00 0.00 60.65 59.19 3dpl h LYS 455 Cb 0.18 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 3dpl h LYS 455 CO -0.00 0.31 -0.52 0.00 -2.27 0.00 0.00 179.45 176.98 3dpl h ALA 456 N 1.76 0.74 -0.23 5.00 0.00 -0.94 -2.14 119.26 123.45 3dpl h ALA 456 Ca 0.11 -0.50 -0.12 0.00 0.00 0.00 0.00 54.91 54.41 3dpl h ALA 456 Cb 0.01 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 3dpl h ALA 456 CO -0.02 0.68 -0.33 0.45 0.00 0.00 0.00 179.25 180.03 3dpl h HIS 457 N 0.43 0.76 -0.85 0.00 3.86 -0.05 -2.87 115.15 116.43 3dpl h HIS 457 Ca 0.01 -0.25 0.08 0.00 -1.16 0.00 0.00 60.37 59.05 3dpl h HIS 457 Cb 1.05 -0.15 -0.07 0.00 1.06 0.00 0.00 27.41 29.30 3dpl h HIS 457 CO 0.04 0.99 0.51 1.25 0.86 0.00 0.00 177.93 181.59 3dpl h LEU 458 N 0.32 0.78 0.17 2.43 5.85 -0.85 -0.86 115.31 123.15 3dpl h LEU 458 Ca 0.02 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.78 3dpl h LEU 458 Cb 0.91 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.79 3dpl h LEU 458 CO 0.08 0.47 -0.22 0.74 -0.34 0.00 0.00 178.44 179.17 3dpl h THR 459 N 0.90 0.52 -0.43 1.05 2.02 -1.27 -0.28 112.91 115.41 3dpl h THR 459 Ca 0.39 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.59 3dpl h THR 459 Cb 0.26 0.52 -0.03 0.00 -1.74 0.00 0.00 68.15 67.15 3dpl h THR 459 CO -0.20 0.00 0.24 0.03 0.37 0.00 0.00 175.52 175.95 3dpl h ARG 460 N -0.44 0.47 -0.80 6.66 3.08 -1.19 0.37 114.38 122.52 3dpl h ARG 460 Ca 0.01 -0.03 0.05 0.00 0.07 0.00 0.00 59.98 60.08 3dpl h ARG 460 Cb 0.44 -0.11 -0.05 0.00 0.08 0.00 0.00 29.97 30.33 3dpl h ARG 460 CO -0.08 0.31 0.53 0.00 -1.07 0.00 0.00 179.97 179.66 3dpl h ARG 461 N 0.48 0.91 0.08 0.04 3.08 -0.67 0.21 114.38 118.52 3dpl h ARG 461 Ca 0.18 -0.05 -0.28 0.00 0.07 0.00 0.00 59.98 59.89 3dpl h ARG 461 Cb 0.05 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 29.88 3dpl h ARG 461 CO -0.10 0.60 -1.41 -0.07 -1.07 0.00 0.00 179.97 177.92 3dpl h LEU 462 N 0.94 0.28 -0.96 3.04 3.38 -0.76 -0.97 115.31 120.26 3dpl h LEU 462 Ca 0.33 -0.37 -0.09 0.00 0.09 0.00 0.00 57.88 57.84 3dpl h LEU 462 Cb 0.13 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3dpl h LEU 462 CO -0.11 1.30 -0.44 0.40 0.09 0.00 0.00 178.44 179.68 3dpl h ILE 463 N 0.05 1.10 -0.27 1.22 2.04 -0.48 -3.19 117.51 117.98 3dpl h ILE 463 Ca -0.19 -1.65 0.00 0.00 1.00 0.00 0.00 64.86 64.03 3dpl h ILE 463 Cb 1.96 1.94 0.00 0.00 -0.74 0.00 0.00 36.82 39.99 3dpl h ILE 463 CO 0.15 0.43 0.00 0.18 0.00 0.00 0.00 178.15 178.92 3dpl n LEU 464 N -3.70 3.03 -3.75 1.44 4.77 0.71 -4.99 117.00 114.51 3dpl n LEU 464 Ca -0.01 -1.41 -0.25 0.00 -0.03 0.00 0.00 56.01 54.31 3dpl n LEU 464 Cb 0.52 -0.17 0.04 0.00 -2.33 0.00 0.00 43.42 41.49 3dpl n LEU 464 CO 0.38 0.64 0.08 0.47 -1.33 0.00 0.00 177.39 177.63 3dpl n ASP 465 N 1.17 -3.70 -1.09 -1.43 8.00 -0.83 -4.91 116.55 113.76 3dpl n ASP 465 Ca 0.15 -0.74 -0.04 0.00 0.71 0.00 0.00 54.79 54.87 3dpl n ASP 465 Cb 0.51 -4.24 0.18 0.00 -0.02 0.00 0.00 41.12 37.55 3dpl n ASP 465 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 3dpl n ILE 466 N -4.57 2.45 -2.83 0.53 -5.35 -0.43 -5.01 119.36 104.15 3dpl n ILE 466 Ca -0.10 -3.16 -0.37 0.00 -0.27 0.00 0.00 62.75 58.85 3dpl n ILE 466 Cb 0.59 -0.42 -0.06 0.00 -1.74 0.00 0.00 39.64 38.01 3dpl n ILE 466 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 3dpl s SER 467 N -2.95 7.32 0.08 7.28 0.01 -1.25 -0.66 113.70 123.54 3dpl s SER 467 Ca 0.43 1.78 0.09 0.00 1.31 0.00 0.00 55.95 59.57 3dpl s SER 467 Cb 0.40 -2.56 -0.19 0.00 0.21 0.00 0.00 66.02 63.88 3dpl s SER 467 CO -0.03 -0.03 1.10 0.00 0.41 0.00 0.00 173.24 174.69 3dpl h ALA 468 N 3.29 0.50 -2.28 1.44 0.00 -1.53 -3.43 119.26 117.25 3dpl h ALA 468 Ca -0.47 -1.03 -0.27 0.00 0.00 0.00 0.00 54.91 53.14 3dpl h ALA 468 Cb 1.19 0.04 -0.34 0.00 0.00 0.00 0.00 17.79 18.69 3dpl h ALA 468 CO 0.65 1.29 -0.58 -0.51 0.00 0.00 0.00 179.25 180.10 3dpl s ASP 469 N -6.48 1.07 0.50 0.00 1.01 -1.26 -4.99 116.67 106.52 3dpl s ASP 469 Ca -0.01 -0.16 0.22 0.00 0.71 0.00 0.00 52.55 53.32 3dpl s ASP 469 Cb 0.09 0.62 1.29 0.00 1.01 0.00 0.00 42.92 45.93 3dpl s ASP 469 CO 0.82 -0.33 1.98 0.77 0.21 0.00 0.00 175.17 178.62 3dpl h SER 470 N 8.27 0.11 0.00 0.27 4.64 -1.97 0.15 113.55 125.02 3dpl h SER 470 Ca -0.17 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 3dpl h SER 470 Cb 1.14 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 3dpl h SER 470 CO 0.29 0.06 0.00 1.21 -0.87 0.00 0.00 176.83 177.52 3dpl n GLU 471 N -4.41 0.00 -0.28 4.77 4.07 -1.26 -2.02 120.64 121.52 3dpl n GLU 471 Ca 0.10 0.34 0.07 0.00 -0.06 0.00 0.00 57.16 57.62 3dpl n GLU 471 Cb 0.56 -1.22 0.19 0.00 -0.06 0.00 0.00 31.44 30.92 3dpl n GLU 471 CO 0.00 0.00 0.00 0.82 -0.06 0.00 0.00 177.13 177.89 3dpl h ILE 472 N 0.00 0.29 -0.42 6.31 2.04 -1.91 0.07 117.51 123.89 3dpl h ILE 472 Ca 0.00 -0.04 0.09 0.00 1.00 0.00 0.00 64.86 65.91 3dpl h ILE 472 Cb 0.00 0.17 -0.09 0.00 -0.74 0.00 0.00 36.82 36.16 3dpl h ILE 472 CO 0.00 0.02 -0.28 -0.08 0.00 0.00 0.00 178.15 177.81 3dpl h GLU 473 N 0.10 -0.19 -0.23 2.37 4.57 -0.75 -1.71 114.58 118.75 3dpl h GLU 473 Ca 0.46 0.01 -0.19 0.00 -1.18 0.00 0.00 59.36 58.46 3dpl h GLU 473 Cb 0.84 0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 29.47 3dpl h GLU 473 CO -0.71 -0.13 -0.59 0.93 -1.18 0.00 0.00 179.01 177.33 3dpl h GLU 474 N -0.20 0.75 0.00 1.92 5.08 -0.49 -3.10 114.58 118.55 3dpl h GLU 474 Ca 0.19 -0.50 0.00 0.00 -1.00 0.00 0.00 59.36 58.05 3dpl h GLU 474 Cb 0.50 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.82 3dpl h GLU 474 CO -0.53 1.13 0.00 0.09 -1.00 0.00 0.00 179.01 178.69 3dpl n ASN 475 N -3.97 0.62 0.17 1.42 3.02 -0.15 -1.69 115.26 114.68 3dpl n ASN 475 Ca -0.04 0.71 0.03 0.00 -0.03 0.00 0.00 54.58 55.24 3dpl n ASN 475 Cb 0.65 -0.82 0.38 0.00 -0.61 0.00 0.00 39.78 39.38 3dpl n ASN 475 CO 0.00 0.00 0.00 -0.03 -2.62 0.00 0.00 177.26 174.61 3dpl h MET 476 N 0.00 0.07 -0.34 3.52 4.05 -1.24 -2.22 114.93 118.77 3dpl h MET 476 Ca 0.00 -0.02 -0.05 0.00 -0.28 0.00 0.00 59.70 59.35 3dpl h MET 476 Cb 0.19 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 30.97 3dpl h MET 476 CO 0.00 0.35 0.01 0.28 0.23 0.00 0.00 176.91 177.79 3dpl h VAL 477 N 0.06 1.19 0.23 -5.77 2.07 -1.50 -0.75 116.25 111.79 3dpl h VAL 477 Ca 0.01 -0.74 -0.33 0.00 0.82 0.00 0.00 66.70 66.46 3dpl h VAL 477 Cb 0.54 0.92 0.03 0.00 -1.52 0.00 0.00 31.29 31.26 3dpl h VAL 477 CO 0.04 0.25 -1.51 -0.08 0.02 0.00 0.00 177.57 176.29 3dpl h GLU 478 N 0.50 0.48 -0.25 1.57 4.57 -1.64 -2.82 114.58 116.98 3dpl h GLU 478 Ca 0.11 -0.81 0.04 0.00 -1.18 0.00 0.00 59.36 57.52 3dpl h GLU 478 Cb 0.30 0.30 -0.01 0.00 -0.16 0.00 0.00 28.75 29.18 3dpl h GLU 478 CO 0.01 1.38 0.17 -1.49 -1.18 0.00 0.00 179.01 177.91 3dpl h TRP 479 N 0.13 0.15 0.04 0.92 6.55 -1.06 0.27 115.95 122.95 3dpl h TRP 479 Ca -0.26 0.00 -0.24 0.00 0.95 0.00 0.00 58.89 59.34 3dpl h TRP 479 Cb 2.13 -0.05 0.00 0.00 -0.86 0.00 0.00 29.16 30.39 3dpl h TRP 479 CO 0.11 0.08 -1.03 -0.07 -1.05 0.00 0.00 178.44 176.48 3dpl h LEU 480 N 0.15 0.49 -1.60 -4.49 3.38 -1.15 -2.93 115.31 109.16 3dpl h LEU 480 Ca 0.11 -0.43 -0.05 0.00 0.09 0.00 0.00 57.88 57.61 3dpl h LEU 480 Cb 0.26 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3dpl h LEU 480 CO -0.02 1.26 -0.22 -0.09 0.09 0.00 0.00 178.44 179.46 3dpl h ARG 481 N 0.18 0.00 0.35 1.13 2.43 -0.76 -2.54 114.38 115.17 3dpl h ARG 481 Ca -0.10 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.06 3dpl h ARG 481 Cb 1.70 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.25 3dpl h ARG 481 CO 0.17 0.22 -0.17 0.93 -1.51 0.00 0.00 179.97 179.61 3dpl h GLU 482 N 0.00 -0.45 0.00 0.20 5.08 -1.02 -3.21 114.58 115.18 3dpl h GLU 482 Ca -0.00 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3dpl h GLU 482 Cb 0.43 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.78 3dpl h GLU 482 CO 0.03 -0.30 0.00 1.33 -1.00 0.00 0.00 179.01 179.07 3dpl n VAL 483 N -4.67 0.00 -0.22 3.13 0.24 -1.11 -4.72 118.33 110.98 3dpl n VAL 483 Ca -0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.24 3dpl n VAL 483 Cb 0.19 -0.80 0.00 0.00 -1.47 0.00 0.00 33.84 31.76 3dpl n VAL 483 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3dpl n GLY 484 N -0.65 0.74 3.72 7.63 0.00 -1.21 -4.93 105.19 110.49 3dpl n GLY 484 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 3dpl n GLY 484 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3dpl n MET 485 N -2.10 1.01 -1.75 1.61 2.81 -0.96 -4.90 117.12 112.83 3dpl n MET 485 Ca 0.00 0.40 -0.39 0.00 -1.81 0.00 0.00 57.70 55.90 3dpl n MET 485 Cb 0.00 -2.50 0.03 0.00 -0.71 0.00 0.00 33.22 30.05 3dpl n MET 485 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 3dpl n PRO 486 N -1.98 1.88 0.30 0.03 -0.04 -1.26 -4.74 135.00 129.20 3dpl n PRO 486 Ca 0.16 0.68 0.17 0.00 -0.04 0.00 0.00 63.50 64.47 3dpl n PRO 486 Cb 0.48 -2.60 0.94 0.00 -0.04 0.00 0.00 33.50 32.28 3dpl n PRO 486 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3dpl h ALA 487 N 1.72 1.19 -0.01 0.55 0.00 -1.97 -1.76 119.26 118.99 3dpl h ALA 487 Ca -0.51 -0.03 -0.25 0.00 0.00 0.00 0.00 54.91 54.12 3dpl h ALA 487 Cb 1.29 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.09 3dpl h ALA 487 CO 0.58 0.05 -0.99 -0.44 0.00 0.00 0.00 179.25 178.45 3dpl h ASP 488 N 0.00 0.75 0.02 0.00 5.19 -1.98 0.39 116.42 120.79 3dpl h ASP 488 Ca -0.00 -0.59 -0.00 0.00 -0.62 0.00 0.00 57.03 55.81 3dpl h ASP 488 Cb 0.17 -0.23 0.00 0.00 0.18 0.00 0.00 39.33 39.46 3dpl h ASP 488 CO 0.00 1.39 -0.01 0.22 -3.12 0.00 0.00 179.24 177.73 3dpl h TYR 489 N 0.33 -0.03 -0.80 4.55 3.20 -1.83 -2.55 116.97 119.84 3dpl h TYR 489 Ca -0.11 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.74 3dpl h TYR 489 Cb 1.63 0.01 -0.04 0.00 1.54 0.00 0.00 36.73 39.88 3dpl h TYR 489 CO 0.08 0.58 0.42 0.28 -1.64 0.00 0.00 178.16 177.88 3dpl h VAL 490 N -0.66 1.24 -0.55 1.81 2.07 -1.42 -2.35 116.25 116.39 3dpl h VAL 490 Ca -0.00 -0.63 -0.09 0.00 0.82 0.00 0.00 66.70 66.80 3dpl h VAL 490 Cb 0.62 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 3dpl h VAL 490 CO 0.00 0.28 -0.03 0.78 0.02 0.00 0.00 177.57 178.62 3dpl h ASN 491 N 1.12 0.95 1.20 0.57 -0.26 -0.95 -0.81 115.58 117.41 3dpl h ASN 491 Ca 0.28 -0.27 -0.00 0.00 -0.56 0.00 0.00 56.30 55.75 3dpl h ASN 491 Cb 0.06 -0.26 -0.00 0.00 -1.06 0.00 0.00 38.32 37.06 3dpl h ASN 491 CO -0.04 1.02 -0.02 0.07 -1.06 0.00 0.00 177.43 177.40 3dpl h LYS 492 N 0.89 0.00 0.07 0.81 2.10 -1.14 -0.95 116.57 118.36 3dpl h LYS 492 Ca 0.16 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.80 3dpl h LYS 492 Cb 0.56 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.89 3dpl h LYS 492 CO 0.03 0.02 -0.03 -0.07 -2.00 0.00 0.00 179.45 177.39 3dpl h LEU 493 N 0.00 -0.08 -1.91 7.07 3.38 -0.84 -2.73 115.31 120.21 3dpl h LEU 493 Ca -0.00 -0.40 0.09 0.00 0.09 0.00 0.00 57.88 57.65 3dpl h LEU 493 Cb 0.62 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 3dpl h LEU 493 CO 0.00 0.38 0.26 0.00 0.09 0.00 0.00 178.44 179.17 3dpl h ALA 494 N 0.30 2.20 -0.11 1.53 0.00 -0.82 0.21 119.26 122.57 3dpl h ALA 494 Ca -0.01 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 3dpl h ALA 494 Cb 0.48 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3dpl h ALA 494 CO 0.02 -0.29 -0.16 -0.09 0.00 0.00 0.00 179.25 178.72 3dpl h ARG 495 N 0.11 0.18 -0.12 0.00 2.43 -0.92 -2.75 114.38 113.31 3dpl h ARG 495 Ca 0.17 -0.04 -0.12 0.00 -0.81 0.00 0.00 59.98 59.18 3dpl h ARG 495 Cb 0.54 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.05 3dpl h ARG 495 CO -0.02 0.35 -0.45 0.52 -1.51 0.00 0.00 179.97 178.85 3dpl h MET 496 N 0.17 0.30 -0.21 0.20 2.86 -0.65 -1.08 114.93 116.50 3dpl h MET 496 Ca 0.03 -0.16 -0.18 0.00 -2.06 0.00 0.00 59.70 57.34 3dpl h MET 496 Cb 0.39 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.06 3dpl h MET 496 CO 0.02 0.70 -0.60 0.74 1.06 0.00 0.00 176.91 178.84 3dpl h PHE 497 N 0.24 0.90 -0.25 -0.22 -1.00 -1.50 -2.10 116.94 113.02 3dpl h PHE 497 Ca 0.02 -0.34 -0.00 0.00 2.81 0.00 0.00 57.97 60.46 3dpl h PHE 497 Cb 0.90 -0.16 -0.01 0.00 3.61 0.00 0.00 35.95 40.28 3dpl h PHE 497 CO 0.02 1.13 0.14 1.96 -1.61 0.00 0.00 178.31 179.95 3dpl h GLN 498 N 0.53 0.34 -0.93 1.51 4.20 -1.35 -1.06 115.11 118.34 3dpl h GLN 498 Ca -0.00 -0.03 0.10 0.00 0.06 0.00 0.00 58.65 58.77 3dpl h GLN 498 Cb 1.18 -0.07 -0.07 0.00 0.30 0.00 0.00 27.48 28.82 3dpl h GLN 498 CO 0.12 0.28 0.60 -0.44 -0.67 0.00 0.00 178.83 178.72 3dpl h ASP 499 N 0.30 0.86 -0.27 1.46 3.32 -1.03 0.20 116.42 121.26 3dpl h ASP 499 Ca 0.09 0.03 -0.11 0.00 0.02 0.00 0.00 57.03 57.05 3dpl h ASP 499 Cb 0.04 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.43 3dpl h ASP 499 CO -0.02 0.50 -0.28 0.40 -1.72 0.00 0.00 179.24 178.12 3dpl h ILE 500 N 0.94 1.31 -0.63 0.35 1.08 -0.89 -0.85 117.51 118.82 3dpl h ILE 500 Ca 0.43 -1.45 0.02 0.00 -0.39 0.00 0.00 64.86 63.47 3dpl h ILE 500 Cb 0.40 1.63 -0.04 0.00 -3.07 0.00 0.00 36.82 35.74 3dpl h ILE 500 CO -0.20 0.46 0.40 0.50 -0.69 0.00 0.00 178.15 178.62 3dpl h LYS 501 N 0.39 0.78 -0.09 2.37 1.63 -0.55 0.17 116.57 121.27 3dpl h LYS 501 Ca 0.04 -0.05 -0.08 0.00 -0.85 0.00 0.00 60.65 59.72 3dpl h LYS 501 Cb 0.85 -0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 32.29 3dpl h LYS 501 CO 0.07 0.51 -0.30 0.28 -3.45 0.00 0.00 179.45 176.57 3dpl h VAL 502 N 0.80 1.25 -0.14 2.00 2.07 -0.86 -2.75 116.25 118.62 3dpl h VAL 502 Ca 0.24 -1.17 -0.19 0.00 0.82 0.00 0.00 66.70 66.40 3dpl h VAL 502 Cb -0.03 1.51 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 3dpl h VAL 502 CO -0.08 0.35 -0.70 -1.28 0.02 0.00 0.00 177.57 175.88 3dpl h SER 503 N 0.15 0.69 1.03 0.57 0.87 0.03 -2.84 113.55 114.05 3dpl h SER 503 Ca 0.02 -0.43 -0.09 0.00 -1.23 0.00 0.00 61.79 60.06 3dpl h SER 503 Cb 0.61 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.35 3dpl h SER 503 CO 0.04 1.19 -0.42 -0.33 -0.53 0.00 0.00 176.83 176.79 3dpl h GLU 504 N 0.42 0.00 -0.07 2.24 5.08 -0.89 -0.79 114.58 120.58 3dpl h GLU 504 Ca -0.03 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.23 3dpl h GLU 504 Cb 1.29 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.55 3dpl h GLU 504 CO 0.13 0.42 -0.36 -0.44 -1.00 0.00 0.00 179.01 177.76 3dpl h ASP 505 N 0.00 0.43 0.26 1.42 3.32 -1.51 -2.87 116.42 117.48 3dpl h ASP 505 Ca -0.00 -0.66 -0.01 0.00 0.02 0.00 0.00 57.03 56.38 3dpl h ASP 505 Cb 1.05 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 40.47 3dpl h ASP 505 CO 0.05 1.02 -0.03 0.25 -1.72 0.00 0.00 179.24 178.82 3dpl h LEU 506 N -0.13 0.00 0.21 1.55 5.85 -1.34 -0.98 115.31 120.47 3dpl h LEU 506 Ca -0.03 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 3dpl h LEU 506 Cb 1.02 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.05 3dpl h LEU 506 CO 0.07 0.03 -0.10 -1.13 -0.34 0.00 0.00 178.44 176.98 3dpl h ASN 507 N 0.00 -0.24 0.33 1.25 -1.24 -0.93 -2.97 115.58 111.79 3dpl h ASN 507 Ca -0.00 -0.28 -0.02 0.00 0.71 0.00 0.00 56.30 56.71 3dpl h ASN 507 Cb 0.17 0.06 0.00 0.00 0.73 0.00 0.00 38.32 39.29 3dpl h ASN 507 CO 0.00 0.22 -0.16 1.56 -1.29 0.00 0.00 177.43 177.76 3dpl h GLN 508 N -0.76 -0.43 -0.63 6.67 4.20 -1.29 -0.42 115.11 122.44 3dpl h GLN 508 Ca -0.03 0.03 0.18 0.00 0.06 0.00 0.00 58.65 58.89 3dpl h GLN 508 Cb 0.51 0.10 -0.03 0.00 0.30 0.00 0.00 27.48 28.36 3dpl h GLN 508 CO 0.05 -0.24 0.96 0.00 -0.67 0.00 0.00 178.83 178.93 3dpl h ALA 509 N 0.12 2.49 0.00 3.87 0.00 -1.27 0.46 119.26 124.92 3dpl h ALA 509 Ca -0.05 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.63 3dpl h ALA 509 Cb 0.40 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 3dpl h ALA 509 CO 0.08 -1.28 -1.20 0.35 0.00 0.00 0.00 179.25 177.19 3dpl h PHE 510 N 0.00 0.00 -0.91 0.00 3.57 -1.14 -3.10 116.94 115.36 3dpl h PHE 510 Ca 0.30 0.00 0.19 0.00 3.53 0.00 0.00 57.97 61.99 3dpl h PHE 510 Cb 2.21 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 40.88 3dpl h PHE 510 CO 0.00 1.41 0.59 0.87 -2.23 0.00 0.00 178.31 178.95 3dpl h LYS 511 N -1.00 0.47 0.00 1.11 1.57 0.15 -0.05 116.57 118.82 3dpl h LYS 511 Ca -0.33 -0.03 -0.15 0.00 -1.87 0.00 0.00 60.65 58.28 3dpl h LYS 511 Cb 1.26 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 33.44 3dpl h LYS 511 CO -0.20 0.31 -0.87 0.93 -0.57 0.00 0.00 179.45 179.05 3dpl h GLU 512 N 0.48 0.00 -1.14 3.15 5.08 -1.45 -3.31 114.58 117.40 3dpl h GLU 512 Ca 0.48 0.00 0.33 0.00 -1.00 0.00 0.00 59.36 59.17 3dpl h GLU 512 Cb 1.08 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.28 3dpl h GLU 512 CO -0.20 0.81 0.96 1.98 -1.00 0.00 0.00 179.01 181.55 3dpl h MET 513 N -1.00 0.00 -2.29 2.33 4.05 -1.43 -1.14 114.93 115.45 3dpl h MET 513 Ca -0.22 0.00 -0.62 0.00 -0.28 0.00 0.00 59.70 58.58 3dpl h MET 513 Cb 1.07 0.00 -0.40 0.00 -0.80 0.00 0.00 31.60 31.47 3dpl h MET 513 CO -0.13 0.00 -0.44 1.58 0.23 0.00 0.00 176.91 178.15 3dpl n HIS 514 N -3.83 3.91 0.29 1.39 -0.00 -0.05 -4.66 115.22 112.28 3dpl n HIS 514 Ca 0.25 -3.83 0.12 0.00 0.46 0.00 0.00 57.72 54.72 3dpl n HIS 514 Cb 1.32 -0.58 0.14 0.00 -0.12 0.00 0.00 29.99 30.76 3dpl n HIS 514 CO 0.00 0.00 0.00 0.87 0.46 0.00 0.00 176.34 177.67 3dpl h LYS 515 N 3.13 0.00 -6.56 1.57 1.79 -1.29 -3.45 116.57 111.77 3dpl h LYS 515 Ca 0.18 0.00 -0.52 0.00 -2.18 0.00 0.00 60.65 58.13 3dpl h LYS 515 Cb 0.48 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.10 3dpl h LYS 515 CO 0.86 0.00 0.03 1.21 -1.08 0.00 0.00 179.45 180.47 3dpl s ASN 516 N -5.36 6.82 0.00 0.86 3.84 -1.26 -4.91 114.94 114.93 3dpl s ASN 516 Ca 0.05 1.21 0.00 0.00 0.21 0.00 0.00 52.86 54.33 3dpl s ASN 516 Cb 0.09 -2.34 0.00 0.00 -0.55 0.00 0.00 41.25 38.45 3dpl s ASN 516 CO 0.71 -0.07 0.00 0.59 -2.79 0.00 0.00 177.10 175.55 3dpl n ASN 517 N 0.16 1.54 0.00 -4.21 3.02 -1.26 -5.06 115.26 109.45 3dpl n ASN 517 Ca -0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 3dpl n ASN 517 Cb 0.52 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.69 3dpl n ASN 517 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3dpl n ALA 520 N -3.00 0.00 -3.31 5.41 0.00 -1.26 -5.22 120.51 113.13 3dpl n ALA 520 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 3dpl n ALA 520 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 3dpl n ALA 520 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3dpl s LEU 521 N 0.00 -0.07 -0.80 0.00 1.43 -1.26 -5.02 118.68 112.96 3dpl s LEU 521 Ca 0.00 -0.31 -0.25 0.00 -1.03 0.00 0.00 54.13 52.54 3dpl s LEU 521 Cb 0.00 2.25 -0.07 0.00 0.03 0.00 0.00 46.19 48.40 3dpl s LEU 521 CO 0.00 -1.00 2.11 -2.84 0.23 0.00 0.00 176.35 174.85 3dpl s PRO 522 N -3.82 2.24 0.00 1.29 0.02 -1.26 -4.85 135.00 128.61 3dpl s PRO 522 Ca 0.05 0.18 0.00 0.00 0.02 0.00 0.00 61.00 61.26 3dpl s PRO 522 Cb -0.01 -4.86 0.00 0.00 0.02 0.00 0.00 34.50 29.65 3dpl s PRO 522 CO -0.07 -3.61 0.00 0.00 -0.33 0.00 0.00 177.00 172.98 3dpl n ALA 523 N 15.39 0.00 0.27 -1.55 0.00 -1.26 0.73 120.51 134.09 3dpl n ALA 523 Ca 0.39 0.00 0.18 0.00 0.00 0.00 0.00 53.44 54.01 3dpl n ALA 523 Cb 0.47 0.00 0.94 0.00 0.00 0.00 0.00 19.45 20.86 3dpl n ALA 523 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 3dpl h ASP 524 N 0.00 0.00 0.08 0.00 1.82 -1.89 -2.30 116.42 114.13 3dpl h ASP 524 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 3dpl h ASP 524 Cb 0.00 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.01 3dpl h ASP 524 CO 0.00 0.00 0.00 -1.54 -1.61 0.00 0.00 179.24 176.09 3dpl n SER 525 N -3.56 0.00 -4.21 2.28 3.41 0.22 -4.57 113.62 107.20 3dpl n SER 525 Ca -0.01 -0.25 -0.34 0.00 -0.26 0.00 0.00 58.87 58.01 3dpl n SER 525 Cb 0.21 -0.09 -0.15 0.00 -0.26 0.00 0.00 64.21 63.92 3dpl n SER 525 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3dpl s VAL 526 N -2.18 2.86 0.08 -3.33 1.01 -0.87 -5.03 120.40 112.94 3dpl s VAL 526 Ca 0.17 -0.89 0.04 0.00 0.00 0.00 0.00 61.98 61.31 3dpl s VAL 526 Cb 0.09 -2.38 -0.04 0.00 0.00 0.00 0.00 36.38 34.05 3dpl s VAL 526 CO 0.17 0.30 0.01 0.20 0.00 0.00 0.00 175.10 175.78 3dpl s ASN 527 N 1.35 5.09 0.05 3.32 0.01 -1.26 -4.91 114.94 118.59 3dpl s ASN 527 Ca 0.02 -0.14 0.03 0.00 -0.71 0.00 0.00 52.86 52.07 3dpl s ASN 527 Cb -0.16 -1.24 -0.02 0.00 0.41 0.00 0.00 41.25 40.24 3dpl s ASN 527 CO -0.06 0.19 -0.10 -0.63 -1.51 0.00 0.00 177.10 174.99 3dpl s ILE 528 N -1.29 0.77 -0.06 0.60 1.01 -1.26 -5.13 121.20 115.83 3dpl s ILE 528 Ca 0.25 -1.10 -0.02 0.00 0.00 0.00 0.00 60.65 59.78 3dpl s ILE 528 Cb -0.12 -0.78 0.03 0.00 0.01 0.00 0.00 42.46 41.60 3dpl s ILE 528 CO 0.18 -0.27 0.05 -0.75 0.00 0.00 0.00 174.94 174.15 3dpl s LYS 529 N -1.52 0.09 -0.24 2.79 2.20 -1.26 -4.65 119.74 117.15 3dpl s LYS 529 Ca -0.06 0.25 0.02 0.00 -0.36 0.00 0.00 55.97 55.82 3dpl s LYS 529 Cb -0.09 -0.79 0.06 0.00 -1.51 0.00 0.00 37.83 35.49 3dpl s LYS 529 CO 0.01 -0.37 -0.08 0.42 -0.36 0.00 0.00 175.35 174.97 3dpl s ILE 530 N 2.12 1.81 0.17 5.43 1.01 -1.26 -5.10 121.20 125.37 3dpl s ILE 530 Ca 0.05 -1.37 0.09 0.00 0.00 0.00 0.00 60.65 59.41 3dpl s ILE 530 Cb -0.13 -1.99 -0.04 0.00 0.01 0.00 0.00 42.46 40.31 3dpl s ILE 530 CO -0.04 -0.04 -0.18 -0.76 0.00 0.00 0.00 174.94 173.91 3dpl s LEU 531 N 1.27 2.44 0.29 2.97 1.43 -1.26 -4.70 118.68 121.12 3dpl s LEU 531 Ca -0.07 -0.87 -0.29 0.00 -1.03 0.00 0.00 54.13 51.87 3dpl s LEU 531 Cb -0.19 -0.85 -0.10 0.00 0.03 0.00 0.00 46.19 45.08 3dpl s LEU 531 CO -0.06 -0.03 1.36 0.54 0.23 0.00 0.00 176.35 178.39 3dpl s ASN 532 N -2.71 6.73 0.05 2.29 2.20 -1.26 -4.94 114.94 117.32 3dpl s ASN 532 Ca 0.17 2.65 -0.26 0.00 -0.94 0.00 0.00 52.86 54.48 3dpl s ASN 532 Cb -0.06 -2.64 -0.17 0.00 -2.00 0.00 0.00 41.25 36.39 3dpl s ASN 532 CO 0.07 -0.60 1.55 0.00 -2.94 0.00 0.00 177.10 175.18 3dpl h ALA 533 N 4.21 -0.27 -1.44 3.54 0.00 -1.98 -2.37 119.26 120.95 3dpl h ALA 533 Ca -0.47 -0.11 0.43 0.00 0.00 0.00 0.00 54.91 54.75 3dpl h ALA 533 Cb 1.22 0.10 -0.08 0.00 0.00 0.00 0.00 17.79 19.03 3dpl h ALA 533 CO 0.71 -0.58 1.00 0.78 0.00 0.00 0.00 179.25 181.16 3dpl h GLY 534 N -0.40 0.46 0.00 0.00 0.00 -1.92 -0.06 103.07 101.15 3dpl h GLY 534 Ca -0.03 -0.05 -0.04 0.00 0.00 0.00 0.00 47.33 47.21 3dpl h GLY 534 CO 0.05 -0.11 -1.69 0.00 0.00 0.00 0.00 176.54 174.78 3dpl n ALA 535 N -2.72 2.38 0.51 3.60 0.00 -1.19 -4.65 120.51 118.43 3dpl n ALA 535 Ca 0.34 -0.43 0.07 0.00 0.00 0.00 0.00 53.44 53.42 3dpl n ALA 535 Cb 1.48 -0.41 -0.09 0.00 0.00 0.00 0.00 19.45 20.43 3dpl n ALA 535 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 3dpl n TRP 536 N -2.08 0.00 -3.21 0.00 7.02 -0.88 -4.92 117.44 113.37 3dpl n TRP 536 Ca -0.06 0.00 -0.39 0.00 -1.02 0.00 0.00 57.50 56.03 3dpl n TRP 536 Cb 0.47 -0.10 -0.06 0.00 -2.42 0.00 0.00 31.31 29.21 3dpl n TRP 536 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 3dpl s SER 537 N -2.77 6.92 -0.00 -0.99 0.15 -0.09 -4.92 113.70 112.00 3dpl s SER 537 Ca 0.03 1.10 0.02 0.00 0.70 0.00 0.00 55.95 57.79 3dpl s SER 537 Cb 0.11 -2.35 -0.03 0.00 -1.71 0.00 0.00 66.02 62.04 3dpl s SER 537 CO 0.62 0.06 0.07 0.54 1.20 0.00 0.00 173.24 175.72 3dpl n ARG 538 N 3.02 2.86 -4.34 5.44 1.74 -1.26 -4.90 116.66 119.22 3dpl n ARG 538 Ca -0.06 -0.01 -0.29 0.00 -0.77 0.00 0.00 57.85 56.71 3dpl n ARG 538 Cb 0.51 -0.85 -0.12 0.00 -1.02 0.00 0.00 32.46 30.98 3dpl n ARG 538 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3dpl s SER 539 N -1.78 3.66 0.03 0.55 0.15 -1.26 -4.94 113.70 110.11 3dpl s SER 539 Ca -0.00 -0.64 0.23 0.00 0.70 0.00 0.00 55.95 56.24 3dpl s SER 539 Cb 0.01 -0.42 0.02 0.00 -1.71 0.00 0.00 66.02 63.93 3dpl s SER 539 CO 0.09 0.18 1.01 -1.54 1.20 0.00 0.00 173.24 174.18 3dpl n SER 540 N 0.83 0.63 -4.74 5.45 3.41 -1.26 -4.89 113.62 113.05 3dpl n SER 540 Ca -0.16 -0.34 -0.40 0.00 -0.26 0.00 0.00 58.87 57.70 3dpl n SER 540 Cb 0.53 0.84 -0.06 0.00 -0.26 0.00 0.00 64.21 65.27 3dpl n SER 540 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3dpl s GLU 541 N -3.16 4.81 -0.11 4.33 2.02 -1.26 -5.05 118.70 120.29 3dpl s GLU 541 Ca 0.05 1.49 0.02 0.00 0.02 0.00 0.00 54.97 56.54 3dpl s GLU 541 Cb 0.15 -3.30 -0.01 0.00 0.10 0.00 0.00 34.13 31.06 3dpl s GLU 541 CO 0.81 0.43 -0.16 -1.59 0.02 0.00 0.00 175.26 174.77 3dpl s LYS 542 N -0.88 3.13 -0.31 1.61 0.00 -1.26 -5.09 119.74 116.95 3dpl s LYS 542 Ca 0.43 -0.73 -0.09 0.00 0.00 0.00 0.00 55.97 55.57 3dpl s LYS 542 Cb -0.26 -2.51 -0.01 0.00 0.00 0.00 0.00 37.83 35.06 3dpl s LYS 542 CO 0.32 0.29 0.14 0.08 0.00 0.00 0.00 175.35 176.17 3dpl s VAL 543 N 0.14 4.51 0.23 1.79 1.01 -1.26 -5.08 120.40 121.73 3dpl s VAL 543 Ca -0.08 -0.44 -0.10 0.00 0.00 0.00 0.00 61.98 61.36 3dpl s VAL 543 Cb -0.15 -3.29 -0.07 0.00 0.00 0.00 0.00 36.38 32.87 3dpl s VAL 543 CO 0.05 0.08 0.55 0.12 0.00 0.00 0.00 175.10 175.91 3dpl s PHE 544 N 1.60 3.43 -0.17 5.22 5.36 -1.26 -4.73 117.98 127.42 3dpl s PHE 544 Ca 0.04 0.89 -0.12 0.00 -0.96 0.00 0.00 56.93 56.78 3dpl s PHE 544 Cb -0.17 -2.27 0.05 0.00 -0.34 0.00 0.00 43.02 40.29 3dpl s PHE 544 CO 0.06 0.27 0.44 0.54 -1.46 0.00 0.00 175.22 175.07 3dpl s VAL 545 N -1.81 -0.01 -0.32 3.12 0.11 -1.26 -4.21 120.40 116.01 3dpl s VAL 545 Ca 0.47 0.04 -0.22 0.00 -2.93 0.00 0.00 61.98 59.35 3dpl s VAL 545 Cb -0.11 -0.63 -0.00 0.00 -1.53 0.00 0.00 36.38 34.11 3dpl s VAL 545 CO 0.21 0.02 0.71 -0.55 -3.33 0.00 0.00 175.10 172.16 3dpl s SER 546 N 0.86 6.55 0.32 3.54 0.15 -0.52 -5.04 113.70 119.55 3dpl s SER 546 Ca -0.05 0.44 -0.20 0.00 0.70 0.00 0.00 55.95 56.84 3dpl s SER 546 Cb -0.06 -2.37 -0.09 0.00 -1.71 0.00 0.00 66.02 61.79 3dpl s SER 546 CO -0.07 -0.58 0.82 -0.76 1.20 0.00 0.00 173.24 173.85 3dpl s LEU 547 N 2.82 4.16 0.35 3.45 1.43 -1.26 -4.81 118.68 124.82 3dpl s LEU 547 Ca 0.28 1.52 -0.28 0.00 -1.03 0.00 0.00 54.13 54.63 3dpl s LEU 547 Cb -0.14 -4.06 -0.10 0.00 0.03 0.00 0.00 46.19 41.92 3dpl s LEU 547 CO 0.13 -0.16 1.28 -2.16 0.23 0.00 0.00 176.35 175.68 3dpl s PRO 548 N -2.60 4.27 0.32 1.29 0.04 -1.26 -4.66 135.00 132.40 3dpl s PRO 548 Ca 0.53 2.14 0.15 0.00 0.04 0.00 0.00 61.00 63.86 3dpl s PRO 548 Cb -0.13 -2.98 1.09 0.00 0.04 0.00 0.00 34.50 32.52 3dpl s PRO 548 CO 0.18 -0.23 1.42 2.41 0.04 0.00 0.00 177.00 180.82 3dpl n THR 549 N 0.63 -0.38 0.00 1.26 -1.04 -1.26 0.36 114.28 113.85 3dpl n THR 549 Ca 0.01 1.86 0.00 0.00 -2.04 0.00 0.00 64.05 63.88 3dpl n THR 549 Cb 0.43 -2.94 0.00 0.00 -1.82 0.00 0.00 70.33 65.99 3dpl n THR 549 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3dpl n GLU 550 N -5.09 0.00 0.00 -2.82 1.02 -1.26 -1.62 120.64 110.87 3dpl n GLU 550 Ca 0.31 0.33 0.00 0.00 -0.02 0.00 0.00 57.16 57.78 3dpl n GLU 550 Cb 1.05 -1.62 0.00 0.00 -0.02 0.00 0.00 31.44 30.86 3dpl n GLU 550 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3dpl n LEU 551 N -1.31 0.00 0.21 -4.62 4.77 0.16 -4.75 117.00 111.46 3dpl n LEU 551 Ca 0.00 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 56.07 3dpl n LEU 551 Cb 0.12 0.00 0.40 0.00 -2.33 0.00 0.00 43.42 41.61 3dpl n LEU 551 CO 0.00 0.00 0.76 -0.33 -1.33 0.00 0.00 177.39 176.49 3dpl h GLU 552 N 0.00 0.00 0.00 3.23 5.08 -0.86 -2.77 114.58 119.26 3dpl h GLU 552 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3dpl h GLU 552 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 3dpl h GLU 552 CO 0.00 0.25 0.00 -0.25 -1.00 0.00 0.00 179.01 178.01 3dpl n ASP 553 N -3.38 0.00 0.04 1.42 8.00 -1.06 -2.39 116.55 119.19 3dpl n ASP 553 Ca 0.00 0.36 -0.22 0.00 0.71 0.00 0.00 54.79 55.65 3dpl n ASP 553 Cb 0.46 -0.44 -0.14 0.00 -0.02 0.00 0.00 41.12 40.98 3dpl n ASP 553 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3dpl h LEU 554 N 0.00 0.50 -0.85 0.64 3.38 -1.79 -3.37 115.31 113.83 3dpl h LEU 554 Ca 0.00 -0.91 0.14 0.00 0.09 0.00 0.00 57.88 57.20 3dpl h LEU 554 Cb 0.28 -0.16 -0.14 0.00 0.09 0.00 0.00 40.66 40.72 3dpl h LEU 554 CO 0.00 1.79 -0.37 0.40 0.09 0.00 0.00 178.44 180.36 3dpl h ILE 555 N 0.09 0.06 0.00 1.22 2.04 -1.54 0.23 117.51 119.61 3dpl h ILE 555 Ca -0.38 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.44 3dpl h ILE 555 Cb 2.07 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 38.20 3dpl h ILE 555 CO 0.13 0.00 -0.20 1.55 0.00 0.00 0.00 178.15 179.63 3dpl h PRO 556 N -0.06 0.00 0.47 2.37 0.13 -1.75 -0.99 132.00 132.16 3dpl h PRO 556 Ca 0.31 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.41 3dpl h PRO 556 Cb 0.58 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.72 3dpl h PRO 556 CO -0.87 0.20 -0.23 1.49 -0.23 0.00 0.00 178.00 178.36 3dpl h GLU 557 N 0.00 -0.61 -0.74 0.86 4.81 -0.77 -2.48 114.58 115.65 3dpl h GLU 557 Ca -0.00 0.04 0.17 0.00 -0.13 0.00 0.00 59.36 59.44 3dpl h GLU 557 Cb 0.43 0.14 -0.04 0.00 0.63 0.00 0.00 28.75 29.91 3dpl h GLU 557 CO 0.03 -0.41 0.51 0.28 -0.73 0.00 0.00 179.01 178.69 3dpl h VAL 558 N -0.88 0.74 -0.14 0.32 2.07 -1.13 -2.17 116.25 115.07 3dpl h VAL 558 Ca -0.06 -0.10 -0.03 0.00 0.82 0.00 0.00 66.70 67.33 3dpl h VAL 558 Cb 0.48 0.43 -0.00 0.00 -1.52 0.00 0.00 31.29 30.68 3dpl h VAL 558 CO 0.11 0.05 -0.01 -0.33 0.02 0.00 0.00 177.57 177.41 3dpl h GLU 559 N 0.28 0.26 -0.42 1.57 5.08 -1.13 -2.66 114.58 117.57 3dpl h GLU 559 Ca 0.37 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.62 3dpl h GLU 559 Cb 1.02 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.23 3dpl h GLU 559 CO -0.09 0.51 0.20 1.49 -1.00 0.00 0.00 179.01 180.12 3dpl h GLU 560 N -0.02 0.60 -0.93 2.33 4.81 -0.92 -2.46 114.58 117.98 3dpl h GLU 560 Ca 0.04 -0.09 0.17 0.00 -0.13 0.00 0.00 59.36 59.35 3dpl h GLU 560 Cb 0.40 -0.11 -0.08 0.00 0.63 0.00 0.00 28.75 29.60 3dpl h GLU 560 CO 0.01 0.52 0.60 0.35 -0.73 0.00 0.00 179.01 179.76 3dpl h PHE 561 N 0.53 0.83 -0.11 0.92 3.57 -1.51 -1.95 116.94 119.22 3dpl h PHE 561 Ca 0.14 0.03 -0.17 0.00 3.53 0.00 0.00 57.97 61.50 3dpl h PHE 561 Cb 0.12 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.59 3dpl h PHE 561 CO -0.01 0.25 -0.65 -0.92 -2.23 0.00 0.00 178.31 174.75 3dpl h TYR 562 N 0.65 0.54 0.40 0.41 3.20 -1.07 -3.29 116.97 117.80 3dpl h TYR 562 Ca 0.49 -0.22 -0.02 0.00 3.14 0.00 0.00 58.73 62.13 3dpl h TYR 562 Cb 0.88 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 39.07 3dpl h TYR 562 CO -0.00 0.95 -0.19 0.87 -1.64 0.00 0.00 178.16 178.14 3dpl h LYS 563 N 0.30 -0.51 0.00 1.82 1.57 -1.11 0.80 116.57 119.44 3dpl h LYS 563 Ca -0.01 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3dpl h LYS 563 Cb 1.20 0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.63 3dpl h LYS 563 CO 0.11 -0.23 0.00 0.36 -0.57 0.00 0.00 179.45 179.12 3dpl n LYS 564 N -5.24 0.22 -0.09 3.15 2.85 -1.15 -1.43 118.16 116.47 3dpl n LYS 564 Ca -0.10 0.00 -0.16 0.00 -1.05 0.00 0.00 58.31 57.00 3dpl n LYS 564 Cb 0.27 -1.49 -0.08 0.00 -0.65 0.00 0.00 35.03 33.09 3dpl n LYS 564 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 3dpl n ASN 565 N -0.99 2.18 -3.63 -5.58 3.02 -1.05 -4.96 115.26 104.25 3dpl n ASN 565 Ca 0.05 0.01 -0.19 0.00 -0.03 0.00 0.00 54.58 54.43 3dpl n ASN 565 Cb 0.02 -0.39 -0.16 0.00 -0.61 0.00 0.00 39.78 38.65 3dpl n ASN 565 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 3dpl s HIS 566 N -2.37 -0.11 0.55 3.10 3.76 0.25 -5.12 115.29 115.36 3dpl s HIS 566 Ca -0.26 0.38 -0.04 0.00 -0.15 0.00 0.00 55.06 54.99 3dpl s HIS 566 Cb 0.08 -0.37 0.01 0.00 1.11 0.00 0.00 32.58 33.41 3dpl s HIS 566 CO 0.40 -0.35 0.83 -1.54 -0.85 0.00 0.00 174.74 173.24 3dpl s SER 567 N 2.26 5.63 -1.80 1.40 1.04 -1.19 -4.09 113.70 116.96 3dpl s SER 567 Ca 0.04 0.56 0.00 0.00 0.48 0.00 0.00 55.95 57.03 3dpl s SER 567 Cb -0.13 -1.61 0.00 0.00 0.10 0.00 0.00 66.02 64.38 3dpl s SER 567 CO -0.07 -0.97 0.00 0.61 0.98 0.00 0.00 173.24 173.79 3dpl n GLY 568 N -2.44 0.71 3.54 7.32 0.00 -1.26 -4.99 105.19 108.07 3dpl n GLY 568 Ca 0.04 -0.11 -0.24 0.00 0.00 0.00 0.00 46.02 45.71 3dpl n GLY 568 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dpl s ARG 569 N -4.26 1.87 -0.02 1.61 0.52 -1.26 -5.14 118.95 112.26 3dpl s ARG 569 Ca 0.00 -1.74 0.00 0.00 -0.52 0.00 0.00 55.73 53.47 3dpl s ARG 569 Cb 0.00 -1.85 0.02 0.00 0.52 0.00 0.00 34.95 33.65 3dpl s ARG 569 CO 0.00 0.27 0.01 0.21 0.02 0.00 0.00 175.30 175.81 3dpl s LYS 570 N -3.59 0.12 -0.04 3.54 2.36 -1.26 -5.03 119.74 115.85 3dpl s LYS 570 Ca 0.31 0.11 -0.16 0.00 -2.55 0.00 0.00 55.97 53.69 3dpl s LYS 570 Cb -0.03 -0.33 -0.05 0.00 -1.05 0.00 0.00 37.83 36.37 3dpl s LYS 570 CO 0.17 -0.13 0.42 -0.51 1.55 0.00 0.00 175.35 176.85 3dpl s LEU 571 N 0.90 4.42 -0.25 5.43 1.43 -1.26 -5.06 118.68 124.28 3dpl s LEU 571 Ca -0.08 0.91 0.02 0.00 -1.03 0.00 0.00 54.13 53.95 3dpl s LEU 571 Cb -0.12 -2.61 0.05 0.00 0.03 0.00 0.00 46.19 43.55 3dpl s LEU 571 CO -0.02 0.23 -0.11 -1.00 0.23 0.00 0.00 176.35 175.68 3dpl s HIS 572 N -0.58 3.19 -0.01 0.29 3.76 -1.26 -5.09 115.29 115.58 3dpl s HIS 572 Ca 0.24 -2.15 -0.30 0.00 -0.15 0.00 0.00 55.06 52.70 3dpl s HIS 572 Cb -0.16 -1.95 -0.05 0.00 1.11 0.00 0.00 32.58 31.53 3dpl s HIS 572 CO 0.12 -0.86 1.42 -1.58 -0.85 0.00 0.00 174.74 172.99 3dpl s TRP 573 N 1.15 2.77 -0.92 1.40 0.52 -1.26 -4.93 118.94 117.66 3dpl s TRP 573 Ca -0.06 0.77 -0.00 0.00 0.02 0.00 0.00 56.10 56.83 3dpl s TRP 573 Cb -0.19 -3.68 0.31 0.00 -1.15 0.00 0.00 33.47 28.76 3dpl s TRP 573 CO -0.06 -2.54 1.44 1.58 0.02 0.00 0.00 176.95 177.38 3dpl n HIS 574 N 5.61 2.91 0.19 -1.98 -0.00 -1.26 -4.87 115.22 115.82 3dpl n HIS 574 Ca 0.14 -3.00 0.16 0.00 0.46 0.00 0.00 57.72 55.48 3dpl n HIS 574 Cb 0.44 -1.02 0.79 0.00 -0.12 0.00 0.00 29.99 30.07 3dpl n HIS 574 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 3dpl h HIS 575 N 4.41 0.00 -0.21 1.57 3.86 -1.92 -0.20 115.15 122.67 3dpl h HIS 575 Ca 0.32 0.00 0.06 0.00 -1.16 0.00 0.00 60.37 59.59 3dpl h HIS 575 Cb 0.49 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.95 3dpl h HIS 575 CO 1.07 0.00 0.19 1.25 0.86 0.00 0.00 177.93 181.31 3dpl h LEU 576 N 0.00 0.00 -3.33 2.43 5.85 -1.89 0.18 115.31 118.55 3dpl h LEU 576 Ca 0.10 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.82 3dpl h LEU 576 Cb 0.48 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.51 3dpl h LEU 576 CO -0.00 0.00 0.00 0.23 -0.34 0.00 0.00 178.44 178.33 3dpl n MET 577 N -4.01 3.95 -4.45 1.25 2.81 -0.09 -4.86 117.12 111.71 3dpl n MET 577 Ca 0.02 -2.94 -0.35 0.00 -1.81 0.00 0.00 57.70 52.63 3dpl n MET 577 Cb 0.33 -1.99 -0.10 0.00 -0.71 0.00 0.00 33.22 30.75 3dpl n MET 577 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 3dpl s SER 578 N -1.13 5.05 0.33 7.83 0.01 0.62 -4.90 113.70 121.50 3dpl s SER 578 Ca 0.49 0.09 -0.02 0.00 1.31 0.00 0.00 55.95 57.81 3dpl s SER 578 Cb 0.35 -1.39 0.01 0.00 0.21 0.00 0.00 66.02 65.21 3dpl s SER 578 CO 0.17 0.37 0.47 -0.46 0.41 0.00 0.00 173.24 174.20 3dpl n ASN 579 N 2.19 -1.32 0.00 2.44 0.23 -1.26 -0.10 115.26 117.44 3dpl n ASN 579 Ca -0.18 -2.75 0.00 0.00 -0.53 0.00 0.00 54.58 51.12 3dpl n ASN 579 Cb 0.53 2.45 0.00 0.00 -2.08 0.00 0.00 39.78 40.68 3dpl n ASN 579 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3dpl n GLY 580 N -0.54 -1.21 3.29 4.83 0.00 0.00 -4.83 105.19 106.74 3dpl n GLY 580 Ca 0.00 -0.84 -0.32 0.00 0.00 0.00 0.00 46.02 44.87 3dpl n GLY 580 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dpl s ILE 581 N -3.00 2.15 0.16 -0.61 1.01 -1.26 0.26 121.20 119.91 3dpl s ILE 581 Ca 0.00 -1.04 0.06 0.00 0.00 0.00 0.00 60.65 59.67 3dpl s ILE 581 Cb 0.00 -1.78 -0.04 0.00 0.01 0.00 0.00 42.46 40.64 3dpl s ILE 581 CO 0.00 0.57 -0.12 0.27 0.00 0.00 0.00 174.94 175.66 3dpl s ILE 582 N -0.22 1.36 -0.25 2.92 -4.36 -0.64 -4.94 121.20 115.07 3dpl s ILE 582 Ca -0.02 -2.08 -0.09 0.00 -0.26 0.00 0.00 60.65 58.20 3dpl s ILE 582 Cb -0.13 -1.88 -0.04 0.00 1.25 0.00 0.00 42.46 41.65 3dpl s ILE 582 CO 0.03 -0.68 0.13 -0.89 0.24 0.00 0.00 174.94 173.78 3dpl s THR 583 N -3.13 5.00 -0.36 8.37 2.01 -1.26 -0.91 115.64 125.37 3dpl s THR 583 Ca 0.18 0.06 -0.09 0.00 0.31 0.00 0.00 61.69 62.15 3dpl s THR 583 Cb 0.01 -3.34 0.03 0.00 0.01 0.00 0.00 72.50 69.21 3dpl s THR 583 CO 0.03 0.33 0.17 0.12 -0.69 0.00 0.00 174.62 174.58 3dpl s PHE 584 N 1.32 3.25 -0.71 4.92 5.36 0.64 -4.93 117.98 127.83 3dpl s PHE 584 Ca 0.06 -1.17 -0.18 0.00 -0.96 0.00 0.00 56.93 54.69 3dpl s PHE 584 Cb -0.15 -2.39 0.13 0.00 -0.34 0.00 0.00 43.02 40.27 3dpl s PHE 584 CO 0.06 -0.69 0.81 0.21 -1.46 0.00 0.00 175.22 174.15 3dpl s LYS 585 N 1.49 3.27 0.00 10.12 2.36 -1.26 -0.77 119.74 134.94 3dpl s LYS 585 Ca 0.01 -1.63 0.00 0.00 -2.55 0.00 0.00 55.97 51.80 3dpl s LYS 585 Cb -0.19 -4.43 0.00 0.00 -1.05 0.00 0.00 37.83 32.15 3dpl s LYS 585 CO 0.05 -1.55 0.00 -1.71 1.55 0.00 0.00 175.35 173.69 3dpl n ASN 586 N 5.94 0.00 0.00 1.43 5.15 0.96 -4.99 115.26 123.76 3dpl n ASN 586 Ca 0.02 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.00 3dpl n ASN 586 Cb 0.45 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.70 3dpl n ASN 586 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 3dpl n GLU 587 N 0.00 0.10 0.00 1.20 2.13 -1.24 -4.62 120.64 118.22 3dpl n GLU 587 Ca 0.00 -0.51 0.00 0.00 0.66 0.00 0.00 57.16 57.31 3dpl n GLU 587 Cb 0.00 -0.52 0.00 0.00 0.27 0.00 0.00 31.44 31.19 3dpl n GLU 587 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 3dpl n VAL 588 N -0.02 0.00 -1.90 6.31 0.31 -1.26 -5.01 118.33 116.76 3dpl n VAL 588 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3dpl n VAL 588 Cb 0.48 -0.33 0.00 0.00 -0.91 0.00 0.00 33.84 33.08 3dpl n VAL 588 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3dpl n GLY 589 N 2.14 -0.63 2.97 2.92 0.00 -1.26 -4.51 105.19 106.82 3dpl n GLY 589 Ca 0.00 -0.55 -0.13 0.00 0.00 0.00 0.00 46.02 45.34 3dpl n GLY 589 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3dpl s GLN 590 N -0.36 0.13 0.18 1.61 -2.07 -0.84 -0.03 119.66 118.28 3dpl s GLN 590 Ca 0.00 0.33 0.04 0.00 -1.82 0.00 0.00 55.36 53.91 3dpl s GLN 590 Cb 0.00 -0.08 -0.05 0.00 -1.09 0.00 0.00 33.01 31.79 3dpl s GLN 590 CO 0.00 -0.11 -0.06 0.71 -1.32 0.00 0.00 175.29 174.50 3dpl s TYR 591 N 0.80 1.38 -0.30 9.60 1.51 0.05 -3.92 117.35 126.46 3dpl s TYR 591 Ca -0.06 -0.82 -0.08 0.00 -1.01 0.00 0.00 57.07 55.10 3dpl s TYR 591 Cb -0.08 -0.74 0.00 0.00 -0.11 0.00 0.00 41.96 41.04 3dpl s TYR 591 CO -0.04 0.04 0.10 -0.51 -1.11 0.00 0.00 175.55 174.02 3dpl s ASP 592 N -3.22 5.23 -0.23 2.29 1.01 -0.77 -0.26 116.67 120.73 3dpl s ASP 592 Ca 0.21 -0.66 -0.08 0.00 0.71 0.00 0.00 52.55 52.74 3dpl s ASP 592 Cb 0.04 -1.91 -0.03 0.00 1.01 0.00 0.00 42.92 42.02 3dpl s ASP 592 CO 0.04 -0.19 0.07 -0.76 0.21 0.00 0.00 175.17 174.54 3dpl s LEU 593 N 1.53 3.60 -0.68 1.23 1.43 -0.09 -1.29 118.68 124.42 3dpl s LEU 593 Ca 0.03 -0.10 -0.27 0.00 -1.03 0.00 0.00 54.13 52.77 3dpl s LEU 593 Cb -0.17 -1.95 0.03 0.00 0.03 0.00 0.00 46.19 44.13 3dpl s LEU 593 CO 0.03 0.04 1.21 -0.70 0.23 0.00 0.00 176.35 177.16 3dpl s GLU 594 N 1.19 3.29 0.37 1.70 2.12 0.15 -1.62 118.70 125.90 3dpl s GLU 594 Ca 0.05 -0.15 0.08 0.00 0.36 0.00 0.00 54.97 55.31 3dpl s GLU 594 Cb -0.14 -4.13 -0.05 0.00 0.26 0.00 0.00 34.13 30.07 3dpl s GLU 594 CO 0.04 -1.95 0.12 0.14 -0.54 0.00 0.00 175.26 173.06 3dpl s VAL 595 N 5.27 2.55 0.25 3.70 -7.23 0.14 -1.33 120.40 123.75 3dpl s VAL 595 Ca 0.36 -1.79 -0.10 0.00 -1.81 0.00 0.00 61.98 58.64 3dpl s VAL 595 Cb -0.09 -2.93 -0.07 0.00 0.56 0.00 0.00 36.38 33.84 3dpl s VAL 595 CO 0.18 -0.10 0.59 0.28 -0.31 0.00 0.00 175.10 175.74 3dpl s THR 596 N -2.54 4.88 0.46 5.32 -1.32 -1.26 -0.82 115.64 120.36 3dpl s THR 596 Ca 0.38 0.55 0.14 0.00 -1.21 0.00 0.00 61.69 61.54 3dpl s THR 596 Cb 0.01 -3.62 0.31 0.00 -1.51 0.00 0.00 72.50 67.69 3dpl s THR 596 CO 0.21 -0.12 2.04 0.74 -2.21 0.00 0.00 174.62 175.29 3dpl h THR 597 N 1.94 0.96 -0.17 5.08 2.02 -0.74 0.34 112.91 122.34 3dpl h THR 597 Ca -0.47 -0.11 -0.15 0.00 0.77 0.00 0.00 66.41 66.44 3dpl h THR 597 Cb 1.17 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 68.18 3dpl h THR 597 CO 0.68 0.06 -0.54 -0.26 0.37 0.00 0.00 175.52 175.83 3dpl h PHE 598 N 0.32 0.62 -0.19 3.16 0.04 -1.82 -0.50 116.94 118.57 3dpl h PHE 598 Ca 0.18 -0.22 -0.02 0.00 2.80 0.00 0.00 57.97 60.72 3dpl h PHE 598 Cb 0.32 -0.12 -0.01 0.00 2.20 0.00 0.00 35.95 38.34 3dpl h PHE 598 CO -0.00 0.93 0.03 1.96 -0.60 0.00 0.00 178.31 180.63 3dpl h GLN 599 N 0.38 0.31 -0.12 1.51 4.20 -1.33 -1.51 115.11 118.55 3dpl h GLN 599 Ca 0.01 -0.08 0.02 0.00 0.06 0.00 0.00 58.65 58.66 3dpl h GLN 599 Cb 1.07 -0.04 -0.05 0.00 0.30 0.00 0.00 27.48 28.76 3dpl h GLN 599 CO 0.10 0.46 -0.43 1.25 -0.67 0.00 0.00 178.83 179.54 3dpl h LEU 600 N 0.11 -1.37 -0.78 1.46 7.12 -0.20 0.11 115.31 121.75 3dpl h LEU 600 Ca 0.06 0.16 0.17 0.00 0.13 0.00 0.00 57.88 58.40 3dpl h LEU 600 Cb 0.30 0.54 -0.11 0.00 -0.53 0.00 0.00 40.66 40.85 3dpl h LEU 600 CO 0.00 -0.38 0.24 0.00 -0.13 0.00 0.00 178.44 178.18 3dpl h ALA 601 N -0.53 1.08 0.51 1.25 0.00 -1.00 -0.32 119.26 120.26 3dpl h ALA 601 Ca 0.03 0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 3dpl h ALA 601 Cb 0.53 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3dpl h ALA 601 CO -0.35 -0.32 -0.25 0.28 0.00 0.00 0.00 179.25 178.60 3dpl h VAL 602 N 0.32 0.48 -0.79 0.00 2.07 -0.07 -3.16 116.25 115.10 3dpl h VAL 602 Ca 0.45 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.97 3dpl h VAL 602 Cb 0.79 0.48 -0.04 0.00 -1.52 0.00 0.00 31.29 31.00 3dpl h VAL 602 CO -0.51 0.00 0.48 -0.07 0.02 0.00 0.00 177.57 177.50 3dpl h LEU 603 N -0.70 0.94 0.00 2.57 3.38 0.02 -2.23 115.31 119.29 3dpl h LEU 603 Ca -0.07 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.85 3dpl h LEU 603 Cb 0.54 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3dpl h LEU 603 CO 0.10 0.72 0.00 0.49 0.09 0.00 0.00 178.44 179.84 3dpl n PHE 604 N -4.49 0.00 0.29 1.13 3.01 -0.21 -1.84 117.46 115.36 3dpl n PHE 604 Ca 0.08 0.00 0.18 0.00 1.01 0.00 0.00 57.45 58.71 3dpl n PHE 604 Cb 0.05 -0.44 0.85 0.00 -0.01 0.00 0.00 39.48 39.92 3dpl n PHE 604 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3dpl h ALA 605 N 2.02 1.07 -0.11 4.37 0.00 -1.37 -2.65 119.26 122.60 3dpl h ALA 605 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3dpl h ALA 605 Cb 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3dpl h ALA 605 CO 0.00 0.05 0.00 0.91 0.00 0.00 0.00 179.25 180.21 3dpl n TRP 606 N -3.23 0.12 0.08 0.00 8.01 -0.76 -4.62 117.44 117.04 3dpl n TRP 606 Ca -0.01 -0.06 0.15 0.00 -1.31 0.00 0.00 57.50 56.27 3dpl n TRP 606 Cb 0.23 0.00 0.65 0.00 -2.01 0.00 0.00 31.31 30.18 3dpl n TRP 606 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 177.69 175.77 3dpl h ASN 607 N 3.85 0.04 -0.25 -0.99 -0.26 -1.65 -0.56 115.58 115.76 3dpl h ASN 607 Ca 0.00 0.00 -0.08 0.00 -0.56 0.00 0.00 56.30 55.66 3dpl h ASN 607 Cb 0.83 -0.01 -0.05 0.00 -1.06 0.00 0.00 38.32 38.03 3dpl h ASN 607 CO 0.00 0.03 -0.06 0.00 -1.06 0.00 0.00 177.43 176.33 3dpl n GLN 608 N -4.44 2.13 -2.70 0.81 6.02 -1.26 -4.59 117.38 113.34 3dpl n GLN 608 Ca 0.05 -2.99 -0.06 0.00 -0.01 0.00 0.00 57.00 53.99 3dpl n GLN 608 Cb 0.40 -1.77 0.09 0.00 1.02 0.00 0.00 30.24 29.98 3dpl n GLN 608 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 177.06 178.94 3dpl n ARG 609 N -0.95 0.55 -0.25 -1.09 1.85 -0.50 -5.06 116.66 111.20 3dpl n ARG 609 Ca 0.26 -1.29 0.04 0.00 -1.00 0.00 0.00 57.85 55.86 3dpl n ARG 609 Cb 0.92 -0.64 0.17 0.00 -1.05 0.00 0.00 32.46 31.85 3dpl n ARG 609 CO 0.00 0.00 0.00 -1.35 -0.01 0.00 0.00 177.63 176.27 3dpl h PRO 610 N 2.79 0.51 -0.71 2.89 0.11 -1.40 -2.79 132.00 133.40 3dpl h PRO 610 Ca -0.21 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.87 3dpl h PRO 610 Cb 1.15 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3dpl h PRO 610 CO 0.06 0.33 0.00 0.54 -0.21 0.00 0.00 178.00 178.73 3dpl n ARG 611 N -4.93 3.07 -2.98 1.05 1.74 -1.26 -4.42 116.66 108.92 3dpl n ARG 611 Ca 0.13 -2.73 -0.33 0.00 -0.77 0.00 0.00 57.85 54.15 3dpl n ARG 611 Cb 0.35 -1.69 -0.07 0.00 -1.02 0.00 0.00 32.46 30.04 3dpl n ARG 611 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 3dpl s GLU 612 N -1.30 4.14 -0.11 5.56 2.12 -1.05 -4.97 118.70 123.08 3dpl s GLU 612 Ca 0.50 0.90 -0.09 0.00 0.36 0.00 0.00 54.97 56.64 3dpl s GLU 612 Cb 0.28 -2.36 -0.04 0.00 0.26 0.00 0.00 34.13 32.27 3dpl s GLU 612 CO 0.31 0.09 0.20 0.15 -0.54 0.00 0.00 175.26 175.47 3dpl s LYS 613 N -2.98 3.71 -0.01 4.30 1.02 -1.26 -4.55 119.74 119.96 3dpl s LYS 613 Ca 0.57 -0.02 0.06 0.00 0.02 0.00 0.00 55.97 56.59 3dpl s LYS 613 Cb -0.10 -3.25 -0.02 0.00 -0.52 0.00 0.00 37.83 33.94 3dpl s LYS 613 CO 0.16 0.65 -0.18 0.42 -0.92 0.00 0.00 175.35 175.47 3dpl s ILE 614 N -0.70 1.46 0.72 2.17 1.01 0.25 -4.89 121.20 121.22 3dpl s ILE 614 Ca 0.16 -0.84 -0.11 0.00 0.00 0.00 0.00 60.65 59.85 3dpl s ILE 614 Cb -0.13 -1.23 0.02 0.00 0.01 0.00 0.00 42.46 41.14 3dpl s ILE 614 CO 0.05 0.37 1.10 -0.94 0.00 0.00 0.00 174.94 175.52 3dpl s SER 615 N -0.55 5.33 0.10 3.58 1.04 -1.26 0.08 113.70 122.02 3dpl s SER 615 Ca 0.07 1.12 -0.26 0.00 0.48 0.00 0.00 55.95 57.35 3dpl s SER 615 Cb -0.07 -1.89 -0.11 0.00 0.10 0.00 0.00 66.02 64.05 3dpl s SER 615 CO -0.00 -1.41 1.66 0.15 0.98 0.00 0.00 173.24 174.62 3dpl h PHE 616 N -0.71 -0.52 -0.89 5.02 3.57 -1.11 -0.44 116.94 121.87 3dpl h PHE 616 Ca -0.45 0.01 0.13 0.00 3.53 0.00 0.00 57.97 61.19 3dpl h PHE 616 Cb 1.26 0.21 -0.09 0.00 2.79 0.00 0.00 35.95 40.12 3dpl h PHE 616 CO 0.49 -0.29 0.51 1.49 -2.23 0.00 0.00 178.31 178.27 3dpl h GLU 617 N -0.40 0.74 0.00 1.11 4.81 -1.82 0.17 114.58 119.18 3dpl h GLU 617 Ca 0.01 -0.04 -0.14 0.00 -0.13 0.00 0.00 59.36 59.06 3dpl h GLU 617 Cb 0.40 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 3dpl h GLU 617 CO -0.07 0.49 -0.67 -0.91 -0.73 0.00 0.00 179.01 177.11 3dpl h ASN 618 N 0.76 0.00 -0.18 1.04 -0.26 -1.75 -2.13 115.58 113.06 3dpl h ASN 618 Ca 0.47 0.00 -0.14 0.00 -0.56 0.00 0.00 56.30 56.07 3dpl h ASN 618 Cb 0.57 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.82 3dpl h ASN 618 CO -0.31 0.67 -0.37 -0.07 -1.06 0.00 0.00 177.43 176.29 3dpl h LEU 619 N 0.00 0.75 -1.44 1.61 3.38 0.54 -1.38 115.31 118.77 3dpl h LEU 619 Ca -0.01 -0.32 -0.04 0.00 0.09 0.00 0.00 57.88 57.60 3dpl h LEU 619 Cb 1.20 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 3dpl h LEU 619 CO 0.09 1.04 -0.02 0.50 0.09 0.00 0.00 178.44 180.13 3dpl h LYS 620 N 0.59 0.33 -0.06 1.13 3.64 -0.45 0.35 116.57 122.11 3dpl h LYS 620 Ca 0.06 -0.06 -0.19 0.00 -1.27 0.00 0.00 60.65 59.19 3dpl h LYS 620 Cb 0.90 -0.05 0.01 0.00 -0.41 0.00 0.00 32.23 32.68 3dpl h LYS 620 CO 0.08 0.38 -0.71 -0.07 -2.27 0.00 0.00 179.45 176.87 3dpl h LEU 621 N 0.32 0.72 -0.40 5.20 3.38 -0.97 0.35 115.31 123.92 3dpl h LEU 621 Ca 0.07 -0.70 -0.09 0.00 0.09 0.00 0.00 57.88 57.25 3dpl h LEU 621 Cb 0.26 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3dpl h LEU 621 CO 0.01 1.31 -0.45 0.00 0.09 0.00 0.00 178.44 179.41 3dpl h ALA 622 N 0.42 0.80 0.01 1.53 0.00 -1.02 -3.32 119.26 117.67 3dpl h ALA 622 Ca -0.07 -0.41 -0.37 0.00 0.00 0.00 0.00 54.91 54.06 3dpl h ALA 622 Cb 1.37 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 19.02 3dpl h ALA 622 CO 0.14 0.56 -2.38 -2.37 0.00 0.00 0.00 179.25 175.20 3dpl n THR 623 N -3.33 1.47 -2.04 0.00 5.66 0.09 -4.82 114.28 111.30 3dpl n THR 623 Ca 0.01 -0.71 -0.17 0.00 -3.05 0.00 0.00 64.05 60.13 3dpl n THR 623 Cb 0.64 -0.99 -0.03 0.00 -1.55 0.00 0.00 70.33 68.40 3dpl n THR 623 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 3dpl n GLU 624 N -3.04 -1.29 -2.97 1.09 1.02 0.11 -1.44 120.64 114.13 3dpl n GLU 624 Ca -0.38 0.91 -0.32 0.00 -0.02 0.00 0.00 57.16 57.35 3dpl n GLU 624 Cb 1.07 -5.27 -0.05 0.00 -0.02 0.00 0.00 31.44 27.17 3dpl n GLU 624 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3dpl s LEU 625 N -4.51 3.95 0.45 -4.62 1.43 -1.26 -4.34 118.68 109.78 3dpl s LEU 625 Ca 0.00 1.28 -0.22 0.00 -1.03 0.00 0.00 54.13 54.16 3dpl s LEU 625 Cb 0.00 -4.12 -0.08 0.00 0.03 0.00 0.00 46.19 42.02 3dpl s LEU 625 CO 0.00 -0.31 1.10 -2.16 0.23 0.00 0.00 176.35 175.21 3dpl s PRO 626 N -3.36 3.85 0.24 1.29 0.04 -1.26 -4.75 135.00 131.05 3dpl s PRO 626 Ca 0.54 1.60 -0.15 0.00 0.04 0.00 0.00 61.00 63.03 3dpl s PRO 626 Cb -0.10 -2.35 0.30 0.00 0.04 0.00 0.00 34.50 32.39 3dpl s PRO 626 CO 0.23 -0.43 1.53 -3.47 0.04 0.00 0.00 177.00 174.89 3dpl n ASP 627 N -0.54 -0.56 -0.00 6.66 -0.08 -1.26 -1.14 116.55 119.63 3dpl n ASP 627 Ca 0.07 1.71 -0.09 0.00 -1.51 0.00 0.00 54.79 54.97 3dpl n ASP 627 Cb 0.50 -0.43 -0.03 0.00 2.34 0.00 0.00 41.12 43.50 3dpl n ASP 627 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3dpl h ALA 628 N 1.53 -0.13 -0.54 -1.67 0.00 -2.00 0.74 119.26 117.18 3dpl h ALA 628 Ca 0.38 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.30 3dpl h ALA 628 Cb 0.62 0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 3dpl h ALA 628 CO -0.99 -0.65 0.20 0.93 0.00 0.00 0.00 179.25 178.75 3dpl h GLU 629 N -0.24 0.82 -0.94 0.00 4.39 -1.62 -2.60 114.58 114.39 3dpl h GLU 629 Ca 0.10 -0.16 0.01 0.00 0.34 0.00 0.00 59.36 59.65 3dpl h GLU 629 Cb 0.39 -0.13 -0.05 0.00 -0.10 0.00 0.00 28.75 28.86 3dpl h GLU 629 CO -0.27 0.73 0.62 1.25 -1.16 0.00 0.00 179.01 180.17 3dpl h LEU 630 N 0.74 1.08 -0.08 1.33 5.85 -0.72 -0.02 115.31 123.48 3dpl h LEU 630 Ca 0.18 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.87 3dpl h LEU 630 Cb 0.22 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 40.98 3dpl h LEU 630 CO -0.01 0.78 0.04 0.03 -0.34 0.00 0.00 178.44 178.93 3dpl h ARG 631 N 1.27 0.11 0.00 1.25 3.08 -0.61 -0.15 114.38 119.33 3dpl h ARG 631 Ca 0.35 -0.01 -0.13 0.00 0.07 0.00 0.00 59.98 60.25 3dpl h ARG 631 Cb -0.14 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 29.87 3dpl h ARG 631 CO -0.08 0.18 -0.61 0.07 -1.07 0.00 0.00 179.97 178.46 3dpl h ARG 632 N 0.02 0.00 0.09 0.04 0.11 -1.26 -1.51 114.38 111.87 3dpl h ARG 632 Ca 0.03 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.10 3dpl h ARG 632 Cb 0.10 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.18 3dpl h ARG 632 CO -0.00 0.61 -0.04 1.15 0.10 0.00 0.00 179.97 181.78 3dpl h THR 633 N 0.00 1.09 -0.94 0.08 2.02 -0.86 -1.83 112.91 112.47 3dpl h THR 633 Ca -0.01 -0.71 0.06 0.00 0.77 0.00 0.00 66.41 66.53 3dpl h THR 633 Cb 1.16 1.54 -0.06 0.00 -1.74 0.00 0.00 68.15 69.05 3dpl h THR 633 CO 0.08 0.17 0.61 -0.07 0.37 0.00 0.00 175.52 176.68 3dpl h LEU 634 N -0.45 0.96 -1.24 2.58 3.38 -0.98 -1.88 115.31 117.67 3dpl h LEU 634 Ca -0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 3dpl h LEU 634 Cb 0.38 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 3dpl h LEU 634 CO 0.02 0.62 0.24 -0.25 0.09 0.00 0.00 178.44 179.17 3dpl h TRP 635 N 1.09 0.76 0.00 1.13 2.91 -1.09 -0.44 115.95 120.32 3dpl h TRP 635 Ca 0.40 -0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.39 3dpl h TRP 635 Cb 0.16 -0.24 0.00 0.00 -0.51 0.00 0.00 29.16 28.57 3dpl h TRP 635 CO -0.00 0.57 0.00 -1.13 -1.03 0.00 0.00 178.44 176.85 3dpl n SER 636 N -4.36 0.68 -0.01 2.65 3.41 -0.70 -0.51 113.62 114.78 3dpl n SER 636 Ca 0.05 0.65 0.10 0.00 -0.26 0.00 0.00 58.87 59.40 3dpl n SER 636 Cb 0.14 -0.80 -0.16 0.00 -0.26 0.00 0.00 64.21 63.13 3dpl n SER 636 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3dpl n LEU 637 N -2.22 0.00 -0.18 1.04 4.77 -0.26 -3.67 117.00 116.47 3dpl n LEU 637 Ca 0.03 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 56.06 3dpl n LEU 637 Cb 0.26 0.01 -0.02 0.00 -2.33 0.00 0.00 43.42 41.35 3dpl n LEU 637 CO 0.22 0.01 0.14 1.33 -1.33 0.00 0.00 177.39 177.76 3dpl n VAL 638 N -2.23 0.00 -2.68 4.08 0.24 -0.67 -1.77 118.33 115.30 3dpl n VAL 638 Ca -0.05 -0.33 -0.08 0.00 -2.04 0.00 0.00 64.34 61.84 3dpl n VAL 638 Cb 0.56 1.09 0.06 0.00 -1.47 0.00 0.00 33.84 34.08 3dpl n VAL 638 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3dpl n ALA 639 N -0.57 2.56 -2.30 2.33 0.00 0.33 -4.91 120.51 117.95 3dpl n ALA 639 Ca 0.04 -2.42 -0.43 0.00 0.00 0.00 0.00 53.44 50.64 3dpl n ALA 639 Cb 0.22 -0.96 -0.02 0.00 0.00 0.00 0.00 19.45 18.69 3dpl n ALA 639 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3dpl s PHE 640 N -1.82 2.41 0.10 0.00 5.36 -1.24 -4.73 117.98 118.06 3dpl s PHE 640 Ca 0.25 0.72 -0.35 0.00 -0.96 0.00 0.00 56.93 56.60 3dpl s PHE 640 Cb 0.44 -4.05 -0.18 0.00 -0.34 0.00 0.00 43.02 38.89 3dpl s PHE 640 CO -0.01 -2.15 0.93 -0.35 -1.46 0.00 0.00 175.22 172.18 3dpl n PRO 641 N 7.67 0.27 0.00 10.12 -0.04 -1.26 -2.55 135.00 149.22 3dpl n PRO 641 Ca 0.17 0.10 0.00 0.00 -0.04 0.00 0.00 63.50 63.72 3dpl n PRO 641 Cb 0.47 -1.45 0.00 0.00 -0.04 0.00 0.00 33.50 32.47 3dpl n PRO 641 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3dpl n LYS 642 N 1.43 0.00 -1.88 0.54 4.76 -1.26 -4.97 118.16 116.77 3dpl n LYS 642 Ca 0.18 0.00 -0.38 0.00 -2.87 0.00 0.00 58.31 55.24 3dpl n LYS 642 Cb 0.17 -1.54 0.03 0.00 -1.84 0.00 0.00 35.03 31.84 3dpl n LYS 642 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 3dpl s LEU 643 N 0.00 3.92 0.07 -0.35 2.96 -1.06 -4.93 118.68 119.30 3dpl s LEU 643 Ca 0.00 2.69 0.23 0.00 -0.22 0.00 0.00 54.13 56.83 3dpl s LEU 643 Cb 0.00 -4.22 0.11 0.00 0.50 0.00 0.00 46.19 42.59 3dpl s LEU 643 CO 0.00 -1.38 1.09 0.29 -1.32 0.00 0.00 176.35 175.03 3dpl n LYS 644 N -0.79 0.31 -3.67 1.98 5.02 -1.26 -4.83 118.16 114.92 3dpl n LYS 644 Ca 0.09 0.02 -0.16 0.00 -2.02 0.00 0.00 58.31 56.24 3dpl n LYS 644 Cb 0.45 -1.63 -0.15 0.00 -0.02 0.00 0.00 35.03 33.68 3dpl n LYS 644 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3dpl s ARG 645 N -3.21 0.06 0.27 1.97 1.81 -1.26 -5.13 118.95 113.46 3dpl s ARG 645 Ca 0.04 0.59 -0.23 0.00 -1.72 0.00 0.00 55.73 54.41 3dpl s ARG 645 Cb 0.14 -0.23 -0.09 0.00 -0.45 0.00 0.00 34.95 34.32 3dpl s ARG 645 CO 0.78 -0.30 0.83 -0.65 -0.68 0.00 0.00 175.30 175.28 3dpl s GLN 646 N 2.25 4.42 0.26 3.54 -1.52 -1.26 -4.78 119.66 122.57 3dpl s GLN 646 Ca 0.02 1.09 -0.01 0.00 -1.95 0.00 0.00 55.36 54.51 3dpl s GLN 646 Cb -0.12 -2.86 0.34 0.00 -0.22 0.00 0.00 33.01 30.15 3dpl s GLN 646 CO -0.06 0.35 1.74 0.28 -0.25 0.00 0.00 175.29 177.35 3dpl h VAL 647 N 2.70 1.25 -3.42 1.09 2.07 -1.92 -3.43 116.25 114.58 3dpl h VAL 647 Ca -0.47 -1.07 -0.66 0.00 0.82 0.00 0.00 66.70 65.31 3dpl h VAL 647 Cb 1.19 1.00 -0.20 0.00 -1.52 0.00 0.00 31.29 31.76 3dpl h VAL 647 CO 0.65 0.37 -0.84 -0.76 0.02 0.00 0.00 177.57 177.01 3dpl s LEU 648 N -9.05 2.40 0.07 2.57 1.43 -0.73 -1.52 118.68 113.85 3dpl s LEU 648 Ca -0.09 -0.83 0.09 0.00 -1.03 0.00 0.00 54.13 52.27 3dpl s LEU 648 Cb 0.14 -1.18 -0.03 0.00 0.03 0.00 0.00 46.19 45.15 3dpl s LEU 648 CO 0.81 0.14 -0.25 -0.76 0.23 0.00 0.00 176.35 176.52 3dpl s LEU 649 N -2.47 2.22 0.31 1.79 1.43 0.11 -4.29 118.68 117.77 3dpl s LEU 649 Ca 0.18 -0.62 0.04 0.00 -1.03 0.00 0.00 54.13 52.70 3dpl s LEU 649 Cb -0.09 -1.18 -0.06 0.00 0.03 0.00 0.00 46.19 44.89 3dpl s LEU 649 CO 0.09 0.21 0.05 -0.72 0.23 0.00 0.00 176.35 176.20 3dpl s TYR 650 N -0.89 1.89 0.00 0.29 1.13 -1.26 0.14 117.35 118.65 3dpl s TYR 650 Ca 0.11 -0.97 0.00 0.00 -1.41 0.00 0.00 57.07 54.80 3dpl s TYR 650 Cb -0.10 -1.20 0.00 0.00 -1.10 0.00 0.00 41.96 39.56 3dpl s TYR 650 CO 0.03 -0.03 0.00 -1.91 -2.51 0.00 0.00 175.55 171.14 3dpl n GLU 651 N -0.64 0.00 -1.69 -3.49 4.07 0.32 -4.73 120.64 114.48 3dpl n GLU 651 Ca -0.02 0.00 -0.54 0.00 -0.06 0.00 0.00 57.16 56.53 3dpl n GLU 651 Cb 0.66 0.00 -0.06 0.00 -0.06 0.00 0.00 31.44 31.98 3dpl n GLU 651 CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72 3dpl n PRO 652 N 0.00 1.44 -1.76 5.31 -0.04 -1.26 -4.83 135.00 133.86 3dpl n PRO 652 Ca 0.00 0.53 -0.36 0.00 -0.04 0.00 0.00 63.50 63.63 3dpl n PRO 652 Cb 0.00 -2.25 0.06 0.00 -0.04 0.00 0.00 33.50 31.27 3dpl n PRO 652 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 3dpl s GLN 653 N 3.31 2.60 0.35 0.54 -1.52 -1.26 -5.00 119.66 118.68 3dpl s GLN 653 Ca 0.95 1.84 -0.05 0.00 -1.95 0.00 0.00 55.36 56.15 3dpl s GLN 653 Cb -0.95 -1.88 0.01 0.00 -0.22 0.00 0.00 33.01 29.97 3dpl s GLN 653 CO 0.60 -1.50 0.52 0.14 -0.25 0.00 0.00 175.29 174.80 3dpl s VAL 654 N -1.70 0.00 0.00 1.09 -7.23 -1.26 -5.05 120.40 106.25 3dpl s VAL 654 Ca 0.77 -1.50 0.00 0.00 -1.81 0.00 0.00 61.98 59.44 3dpl s VAL 654 Cb -0.31 -2.66 0.00 0.00 0.56 0.00 0.00 36.38 33.97 3dpl s VAL 654 CO 0.39 0.00 0.87 0.59 -0.31 0.00 0.00 175.10 176.64 3dpl n ASN 655 N -1.37 1.50 -3.63 4.85 4.13 -1.26 -5.03 115.26 114.45 3dpl n ASN 655 Ca -0.01 -1.74 -0.13 0.00 1.68 0.00 0.00 54.58 54.38 3dpl n ASN 655 Cb 0.61 0.00 -0.07 0.00 -1.54 0.00 0.00 39.78 38.78 3dpl n ASN 655 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 3dpl s SER 656 N -0.74 -0.77 0.00 6.41 0.15 -1.26 -5.01 113.70 112.48 3dpl s SER 656 Ca 0.00 1.45 0.06 0.00 0.70 0.00 0.00 55.95 58.16 3dpl s SER 656 Cb 0.00 1.46 0.27 0.00 -1.71 0.00 0.00 66.02 66.03 3dpl s SER 656 CO 0.00 -0.25 1.10 -2.65 1.20 0.00 0.00 173.24 172.64 3dpl n PRO 657 N 2.87 0.04 0.11 5.44 -0.02 -1.26 -1.28 135.00 140.90 3dpl n PRO 657 Ca -0.15 0.31 -0.04 0.00 -2.02 0.00 0.00 63.50 61.61 3dpl n PRO 657 Cb 0.55 -1.50 0.13 0.00 -0.02 0.00 0.00 33.50 32.67 3dpl n PRO 657 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3dpl h LYS 658 N 0.00 0.14 0.00 -0.52 1.79 -1.95 -3.17 116.57 112.86 3dpl h LYS 658 Ca 0.00 -0.10 0.00 0.00 -2.18 0.00 0.00 60.65 58.37 3dpl h LYS 658 Cb 0.07 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 30.74 3dpl h LYS 658 CO 0.00 0.72 0.00 -0.25 -1.08 0.00 0.00 179.45 178.84 3dpl n ASP 659 N -3.83 0.00 -4.77 0.86 8.00 -0.40 -4.84 116.55 111.57 3dpl n ASP 659 Ca -0.02 -0.48 -0.38 0.00 0.71 0.00 0.00 54.79 54.62 3dpl n ASP 659 Cb 0.63 -0.16 -0.00 0.00 -0.02 0.00 0.00 41.12 41.56 3dpl n ASP 659 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3dpl s PHE 660 N -2.32 2.83 0.29 1.24 2.99 -1.20 -5.03 117.98 116.77 3dpl s PHE 660 Ca 0.35 1.51 0.02 0.00 0.00 0.00 0.00 56.93 58.81 3dpl s PHE 660 Cb 0.20 -3.46 -0.05 0.00 0.00 0.00 0.00 43.02 39.70 3dpl s PHE 660 CO 0.40 -1.71 0.09 0.95 -0.00 0.00 0.00 175.22 174.95 3dpl s THR 661 N -1.47 0.75 0.36 0.64 -4.23 -1.26 -5.02 115.64 105.42 3dpl s THR 661 Ca 0.63 -2.00 0.18 0.00 -1.18 0.00 0.00 61.69 59.32 3dpl s THR 661 Cb -0.31 -2.67 0.36 0.00 1.34 0.00 0.00 72.50 71.22 3dpl s THR 661 CO 0.38 0.00 1.66 -0.33 -0.54 0.00 0.00 174.62 175.79 3dpl h GLU 662 N 2.26 0.25 -0.00 3.99 4.39 -1.97 -1.45 114.58 122.04 3dpl h GLU 662 Ca -0.39 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.30 3dpl h GLU 662 Cb 1.25 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.84 3dpl h GLU 662 CO 0.63 0.16 -0.14 0.41 -1.16 0.00 0.00 179.01 178.91 3dpl n GLY 663 N -1.34 -1.23 3.69 -3.84 0.00 -1.26 -2.98 105.19 98.23 3dpl n GLY 663 Ca 0.33 -0.21 -0.44 0.00 0.00 0.00 0.00 46.02 45.69 3dpl n GLY 663 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3dpl n THR 664 N -1.29 0.22 -4.24 2.61 -1.04 -0.55 -4.77 114.28 105.22 3dpl n THR 664 Ca 0.10 -0.05 -0.35 0.00 -2.04 0.00 0.00 64.05 61.70 3dpl n THR 664 Cb 0.31 -1.69 -0.09 0.00 -1.82 0.00 0.00 70.33 67.04 3dpl n THR 664 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3dpl s LEU 665 N 0.74 3.76 0.07 -4.42 1.43 -1.26 -1.14 118.68 117.86 3dpl s LEU 665 Ca 0.75 0.20 0.09 0.00 -1.03 0.00 0.00 54.13 54.14 3dpl s LEU 665 Cb -0.61 -1.88 -0.03 0.00 0.03 0.00 0.00 46.19 43.69 3dpl s LEU 665 CO 0.39 0.36 -0.24 -0.36 0.23 0.00 0.00 176.35 176.73 3dpl s PHE 666 N -0.77 2.40 0.05 0.29 0.40 0.11 0.12 117.98 120.58 3dpl s PHE 666 Ca 0.12 -0.36 -0.08 0.00 -0.60 0.00 0.00 56.93 56.02 3dpl s PHE 666 Cb -0.12 -1.38 -0.00 0.00 0.51 0.00 0.00 43.02 42.04 3dpl s PHE 666 CO 0.02 0.22 0.16 -1.54 0.70 0.00 0.00 175.22 174.79 3dpl s SER 667 N -1.54 0.10 -0.09 1.36 1.04 0.12 -0.58 113.70 114.11 3dpl s SER 667 Ca 0.13 -0.49 -0.30 0.00 0.48 0.00 0.00 55.95 55.78 3dpl s SER 667 Cb -0.10 0.28 -0.01 0.00 0.10 0.00 0.00 66.02 66.29 3dpl s SER 667 CO 0.04 -0.58 1.00 -0.69 0.98 0.00 0.00 173.24 173.99 3dpl s VAL 668 N -2.90 4.80 -0.59 5.02 1.01 -1.26 0.06 120.40 126.53 3dpl s VAL 668 Ca -0.02 2.04 -0.27 0.00 0.00 0.00 0.00 61.98 63.72 3dpl s VAL 668 Cb 0.01 -4.31 0.01 0.00 0.00 0.00 0.00 36.38 32.08 3dpl s VAL 668 CO -0.06 0.03 1.53 0.21 0.00 0.00 0.00 175.10 176.81 3dpl s ASN 669 N 1.08 5.90 0.00 3.32 3.84 -0.58 -4.85 114.94 123.65 3dpl s ASN 669 Ca 0.49 0.23 0.03 0.00 0.21 0.00 0.00 52.86 53.82 3dpl s ASN 669 Cb -0.19 -2.54 0.17 0.00 -0.55 0.00 0.00 41.25 38.14 3dpl s ASN 669 CO 0.19 -1.90 0.60 0.00 -2.79 0.00 0.00 177.10 173.21 3dpl n GLN 670 N 8.90 0.43 -0.27 0.43 1.13 -1.26 -2.02 117.38 124.72 3dpl n GLN 670 Ca 0.13 0.00 0.07 0.00 -1.94 0.00 0.00 57.00 55.26 3dpl n GLN 670 Cb 0.50 -1.10 0.10 0.00 0.11 0.00 0.00 30.24 29.84 3dpl n GLN 670 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 3dpl n GLU 671 N -0.60 0.88 -2.03 -1.09 1.02 -1.26 -3.62 120.64 113.93 3dpl n GLU 671 Ca 0.02 -2.13 -0.35 0.00 -0.02 0.00 0.00 57.16 54.68 3dpl n GLU 671 Cb 0.01 -1.16 0.03 0.00 -0.02 0.00 0.00 31.44 30.29 3dpl n GLU 671 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 3dpl s PHE 672 N -1.96 2.46 -0.21 -0.32 5.36 -0.86 -4.99 117.98 117.46 3dpl s PHE 672 Ca 0.23 1.53 -0.34 0.00 -0.96 0.00 0.00 56.93 57.38 3dpl s PHE 672 Cb 0.20 -3.41 0.15 0.00 -0.34 0.00 0.00 43.02 39.62 3dpl s PHE 672 CO 0.01 -2.04 1.23 -1.54 -1.46 0.00 0.00 175.22 171.42 3dpl s SER 673 N -1.72 -0.13 0.20 6.13 1.04 -1.26 -4.68 113.70 113.28 3dpl s SER 673 Ca 0.75 0.03 -0.09 0.00 0.48 0.00 0.00 55.95 57.13 3dpl s SER 673 Cb -0.28 0.13 -0.07 0.00 0.10 0.00 0.00 66.02 65.90 3dpl s SER 673 CO 0.33 -0.19 0.50 -0.76 0.98 0.00 0.00 173.24 174.10 3dpl s LEU 674 N -1.93 4.21 -0.48 2.42 1.43 -1.26 -4.73 118.68 118.34 3dpl s LEU 674 Ca 0.09 0.85 0.03 0.00 -1.03 0.00 0.00 54.13 54.07 3dpl s LEU 674 Cb -0.01 -3.54 0.12 0.00 0.03 0.00 0.00 46.19 42.79 3dpl s LEU 674 CO -0.04 -0.02 0.22 -0.63 0.23 0.00 0.00 176.35 176.11 3dpl s ILE 675 N -1.74 2.64 -0.45 -0.59 1.01 -1.26 -1.09 121.20 119.72 3dpl s ILE 675 Ca 0.45 -3.01 -0.12 0.00 0.00 0.00 0.00 60.65 57.97 3dpl s ILE 675 Cb -0.12 -2.85 0.09 0.00 0.01 0.00 0.00 42.46 39.59 3dpl s ILE 675 CO 0.22 -0.75 0.33 -0.54 0.00 0.00 0.00 174.94 174.20 3dpl s LYS 676 N 0.06 2.75 0.00 2.79 1.02 -1.20 -4.39 119.74 120.77 3dpl s LYS 676 Ca 0.15 -1.48 0.00 0.00 0.02 0.00 0.00 55.97 54.67 3dpl s LYS 676 Cb -0.24 -3.96 0.00 0.00 -0.52 0.00 0.00 37.83 33.12 3dpl s LYS 676 CO -0.02 -1.04 0.00 0.09 -0.92 0.00 0.00 175.35 173.46 3dpl n ASN 677 N 5.04 -1.01 0.00 2.83 3.02 -1.26 -4.06 115.26 119.82 3dpl n ASN 677 Ca -0.11 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.44 3dpl n ASN 677 Cb 0.43 -0.25 0.00 0.00 -0.61 0.00 0.00 39.78 39.34 3dpl n ASN 677 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3dpl n ALA 678 N -1.24 0.00 -3.01 5.41 0.00 -1.26 -4.90 120.51 115.51 3dpl n ALA 678 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 3dpl n ALA 678 Cb 0.25 -0.95 -0.14 0.00 0.00 0.00 0.00 19.45 18.61 3dpl n ALA 678 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3dpl s LYS 679 N -1.05 3.30 0.40 0.00 1.02 -1.26 -5.08 119.74 117.07 3dpl s LYS 679 Ca 0.00 -0.68 -0.23 0.00 0.02 0.00 0.00 55.97 55.08 3dpl s LYS 679 Cb 0.00 -2.62 -0.13 0.00 -0.52 0.00 0.00 37.83 34.57 3dpl s LYS 679 CO 0.00 0.26 0.66 0.28 -0.92 0.00 0.00 175.35 175.63 3dpl n VAL 680 N 3.39 1.92 -4.19 3.17 0.31 -1.26 -3.28 118.33 118.39 3dpl n VAL 680 Ca -0.18 -0.50 -0.33 0.00 -0.01 0.00 0.00 64.34 63.32 3dpl n VAL 680 Cb 0.53 -0.65 -0.16 0.00 -0.91 0.00 0.00 33.84 32.65 3dpl n VAL 680 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 3dpl s GLN 681 N -1.62 3.07 0.16 5.55 2.00 -0.25 -4.85 119.66 123.72 3dpl s GLN 681 Ca 0.63 -0.80 0.22 0.00 -2.00 0.00 0.00 55.36 53.41 3dpl s GLN 681 Cb -0.62 -2.62 0.89 0.00 0.80 0.00 0.00 33.01 31.45 3dpl s GLN 681 CO 0.58 -0.16 1.68 1.63 -0.50 0.00 0.00 175.29 178.52 3dpl n LYS 682 N 4.53 0.14 -4.06 1.67 5.02 -1.26 -4.02 118.16 120.18 3dpl n LYS 682 Ca -0.20 0.30 -0.08 0.00 -2.02 0.00 0.00 58.31 56.31 3dpl n LYS 682 Cb 0.50 -1.73 -0.10 0.00 -0.02 0.00 0.00 35.03 33.68 3dpl n LYS 682 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3dpl s ARG 683 N -3.17 0.56 0.00 1.97 1.81 -1.26 -1.99 118.95 116.87 3dpl s ARG 683 Ca 0.07 -1.08 0.00 0.00 -1.72 0.00 0.00 55.73 53.00 3dpl s ARG 683 Cb 0.11 0.20 0.00 0.00 -0.45 0.00 0.00 34.95 34.80 3dpl s ARG 683 CO 0.41 -0.10 0.00 0.41 -0.68 0.00 0.00 175.30 175.33 3dpl n GLY 684 N 0.40 -2.28 2.99 -3.53 0.00 -1.25 -4.87 105.19 96.66 3dpl n GLY 684 Ca -0.16 -1.26 -0.13 0.00 0.00 0.00 0.00 46.02 44.47 3dpl n GLY 684 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dpl s LYS 685 N -1.92 0.15 0.01 1.61 1.02 -1.26 -1.84 119.74 117.50 3dpl s LYS 685 Ca 0.00 0.35 -0.02 0.00 0.02 0.00 0.00 55.97 56.32 3dpl s LYS 685 Cb 0.00 -0.07 -0.01 0.00 -0.52 0.00 0.00 37.83 37.23 3dpl s LYS 685 CO 0.00 -0.11 0.02 -1.50 -0.92 0.00 0.00 175.35 172.84 3dpl s ILE 686 N 0.79 0.07 -0.46 2.17 2.07 -0.41 -4.98 121.20 120.45 3dpl s ILE 686 Ca -0.06 -0.59 -0.13 0.00 -1.41 0.00 0.00 60.65 58.46 3dpl s ILE 686 Cb -0.07 -0.23 0.08 0.00 0.13 0.00 0.00 42.46 42.36 3dpl s ILE 686 CO -0.04 -0.32 0.35 0.21 -1.91 0.00 0.00 174.94 173.22 3dpl s ASN 687 N -0.99 5.96 -0.09 4.50 3.84 -1.26 0.31 114.94 127.22 3dpl s ASN 687 Ca -0.11 -1.41 0.16 0.00 0.21 0.00 0.00 52.86 51.72 3dpl s ASN 687 Cb -0.07 -2.11 0.62 0.00 -0.55 0.00 0.00 41.25 39.15 3dpl s ASN 687 CO -0.00 -0.61 1.51 0.18 -2.79 0.00 0.00 177.10 175.39 3dpl n LEU 688 N 5.10 4.12 -0.11 3.21 4.77 -0.44 -4.40 117.00 129.25 3dpl n LEU 688 Ca -0.12 -2.08 -0.11 0.00 -0.03 0.00 0.00 56.01 53.68 3dpl n LEU 688 Cb 0.43 -0.53 -0.03 0.00 -2.33 0.00 0.00 43.42 40.97 3dpl n LEU 688 CO 0.44 0.74 0.74 0.40 -1.33 0.00 0.00 177.39 178.38 3dpl h ILE 689 N 3.61 1.27 0.00 -0.08 2.04 -1.91 -3.46 117.51 118.99 3dpl h ILE 689 Ca 0.00 -1.06 0.00 0.00 1.00 0.00 0.00 64.86 64.80 3dpl h ILE 689 Cb 1.24 1.32 0.00 0.00 -0.74 0.00 0.00 36.82 38.64 3dpl h ILE 689 CO 0.18 0.34 0.00 0.61 0.00 0.00 0.00 178.15 179.28 3dpl n GLY 690 N -0.23 3.07 1.16 5.37 0.00 -1.26 -1.97 105.19 111.33 3dpl n GLY 690 Ca -0.02 -0.19 0.08 0.00 0.00 0.00 0.00 46.02 45.89 3dpl n GLY 690 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dpl n ARG 691 N 13.58 3.42 0.27 1.61 5.12 -1.26 -4.62 116.66 134.79 3dpl n ARG 691 Ca 0.00 -2.76 0.12 0.00 -1.93 0.00 0.00 57.85 53.28 3dpl n ARG 691 Cb 0.00 -1.82 0.78 0.00 -1.16 0.00 0.00 32.46 30.26 3dpl n ARG 691 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 3dpl h LEU 692 N 2.72 0.00 -3.18 0.55 3.38 -1.77 -2.61 115.31 114.40 3dpl h LEU 692 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3dpl h LEU 692 Cb 1.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.15 3dpl h LEU 692 CO 0.23 0.04 0.00 0.00 0.09 0.00 0.00 178.44 178.80 3dpl n GLN 693 N -4.02 3.16 -3.30 1.13 6.02 -1.26 -4.99 117.38 114.13 3dpl n GLN 693 Ca -0.03 -2.68 -0.20 0.00 -0.01 0.00 0.00 57.00 54.08 3dpl n GLN 693 Cb 0.13 -1.74 0.02 0.00 1.02 0.00 0.00 30.24 29.67 3dpl n GLN 693 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3dpl s LEU 694 N -2.26 3.21 0.24 1.08 1.43 -0.99 -5.05 118.68 116.35 3dpl s LEU 694 Ca 0.39 -0.81 -0.30 0.00 -1.03 0.00 0.00 54.13 52.39 3dpl s LEU 694 Cb 0.29 -1.87 -0.14 0.00 0.03 0.00 0.00 46.19 44.50 3dpl s LEU 694 CO 0.13 -1.03 1.14 0.41 0.23 0.00 0.00 176.35 177.23 3dpl n THR 695 N -1.92 1.42 -4.29 5.49 -1.04 -1.26 -5.02 114.28 107.66 3dpl n THR 695 Ca 0.08 -0.36 -0.24 0.00 -2.04 0.00 0.00 64.05 61.50 3dpl n THR 695 Cb 0.62 -1.04 -0.08 0.00 -1.82 0.00 0.00 70.33 68.01 3dpl n THR 695 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 3dpl s THR 696 N -0.58 2.91 0.26 12.58 -4.23 -1.26 -5.03 115.64 120.30 3dpl s THR 696 Ca 0.65 -1.93 -0.01 0.00 -1.18 0.00 0.00 61.69 59.22 3dpl s THR 696 Cb -0.74 -2.81 0.25 0.00 1.34 0.00 0.00 72.50 70.54 3dpl s THR 696 CO 0.55 -0.26 1.82 1.05 -0.54 0.00 0.00 174.62 177.25 3dpl h GLU 697 N 1.81 0.85 -0.49 3.99 4.11 -2.00 -2.00 114.58 120.85 3dpl h GLU 697 Ca -0.43 -0.05 0.01 0.00 0.07 0.00 0.00 59.36 58.96 3dpl h GLU 697 Cb 1.25 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 30.28 3dpl h GLU 697 CO 0.64 0.56 0.31 -0.09 0.07 0.00 0.00 179.01 180.50 3dpl h ARG 698 N 0.88 0.62 0.00 1.06 9.65 -2.00 -1.91 114.38 122.67 3dpl h ARG 698 Ca 0.45 -0.04 -0.02 0.00 -1.10 0.00 0.00 59.98 59.27 3dpl h ARG 698 Cb 0.44 -0.14 -0.00 0.00 -1.39 0.00 0.00 29.97 28.88 3dpl h ARG 698 CO -0.26 0.41 -0.10 0.52 2.80 0.00 0.00 179.97 183.34 3dpl h MET 699 N 0.64 0.00 -0.11 0.20 2.86 -1.78 -1.93 114.93 114.81 3dpl h MET 699 Ca 0.18 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.79 3dpl h MET 699 Cb -0.05 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.61 3dpl h MET 699 CO -0.05 0.10 -0.06 0.00 1.06 0.00 0.00 176.91 177.95 3dpl h ARG 700 N 0.00 0.23 -0.30 1.72 3.08 -0.94 -0.79 114.38 117.38 3dpl h ARG 700 Ca -0.00 -0.11 -0.00 0.00 0.07 0.00 0.00 59.98 59.94 3dpl h ARG 700 Cb 0.18 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 3dpl h ARG 700 CO 0.01 0.60 0.17 0.93 -1.07 0.00 0.00 179.97 180.61 3dpl h GLU 701 N -0.14 0.41 -0.22 0.04 5.08 -1.06 -0.21 114.58 118.48 3dpl h GLU 701 Ca 0.02 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 3dpl h GLU 701 Cb 0.53 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 3dpl h GLU 701 CO 0.02 0.30 0.01 0.93 -1.00 0.00 0.00 179.01 179.26 3dpl h GLU 702 N 0.42 0.39 -0.70 2.33 5.08 -1.10 -0.89 114.58 120.11 3dpl h GLU 702 Ca 0.11 -0.12 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 3dpl h GLU 702 Cb 0.00 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.19 3dpl h GLU 702 CO -0.02 0.57 0.33 1.49 -1.00 0.00 0.00 179.01 180.38 3dpl h GLU 703 N 0.16 1.00 -0.52 2.33 4.57 -0.27 -1.77 114.58 120.08 3dpl h GLU 703 Ca 0.06 -0.15 -0.11 0.00 -1.18 0.00 0.00 59.36 57.98 3dpl h GLU 703 Cb 0.39 -0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 28.78 3dpl h GLU 703 CO 0.01 0.79 -0.12 -0.91 -1.18 0.00 0.00 179.01 177.60 3dpl h ASN 704 N 0.97 1.00 -0.70 1.04 -0.26 -0.98 -1.51 115.58 115.13 3dpl h ASN 704 Ca 0.24 -0.36 0.04 0.00 -0.56 0.00 0.00 56.30 55.66 3dpl h ASN 704 Cb 0.12 -0.27 -0.04 0.00 -1.06 0.00 0.00 38.32 37.07 3dpl h ASN 704 CO -0.03 1.13 0.46 -0.33 -1.06 0.00 0.00 177.43 177.60 3dpl h GLU 705 N 0.86 0.81 -0.45 0.81 5.08 -0.86 -0.24 114.58 120.59 3dpl h GLU 705 Ca 0.13 -0.05 -0.12 0.00 -1.00 0.00 0.00 59.36 58.32 3dpl h GLU 705 Cb 0.69 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 3dpl h GLU 705 CO 0.05 0.54 -0.20 0.78 -1.00 0.00 0.00 179.01 179.18 3dpl h GLY 706 N 0.84 0.98 1.61 -3.84 0.00 -0.64 -0.48 103.07 101.55 3dpl h GLY 706 Ca 0.28 -0.84 -0.08 0.00 0.00 0.00 0.00 47.33 46.69 3dpl h GLY 706 CO -0.08 0.77 -0.19 -2.22 0.00 0.00 0.00 176.54 174.82 3dpl h ILE 707 N 0.79 1.24 -0.16 2.60 2.04 -0.33 -2.44 117.51 121.26 3dpl h ILE 707 Ca 0.11 -1.13 -0.19 0.00 1.00 0.00 0.00 64.86 64.65 3dpl h ILE 707 Cb 0.75 1.26 0.00 0.00 -0.74 0.00 0.00 36.82 38.09 3dpl h ILE 707 CO 0.06 0.36 -0.68 0.58 0.00 0.00 0.00 178.15 178.47 3dpl h VAL 708 N 0.42 1.31 -0.05 1.67 2.07 -0.75 -1.98 116.25 118.95 3dpl h VAL 708 Ca 0.07 -1.94 -0.00 0.00 0.82 0.00 0.00 66.70 65.65 3dpl h VAL 708 Cb 0.57 1.92 -0.00 0.00 -1.52 0.00 0.00 31.29 32.25 3dpl h VAL 708 CO 0.04 0.61 0.02 1.56 0.02 0.00 0.00 177.57 179.82 3dpl h GLN 709 N 0.46 0.07 -0.47 1.57 4.20 -0.84 -2.07 115.11 118.04 3dpl h GLN 709 Ca -0.02 -0.01 -0.08 0.00 0.06 0.00 0.00 58.65 58.60 3dpl h GLN 709 Cb 1.27 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 29.02 3dpl h GLN 709 CO 0.13 0.15 -0.02 1.25 -0.67 0.00 0.00 178.83 179.67 3dpl h LEU 710 N -0.03 0.77 0.55 1.46 5.85 -1.49 -2.30 115.31 120.11 3dpl h LEU 710 Ca 0.02 -0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.52 3dpl h LEU 710 Cb 0.10 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 40.93 3dpl h LEU 710 CO -0.00 0.85 -0.33 0.03 -0.34 0.00 0.00 178.44 178.64 3dpl h ARG 711 N 0.74 -0.79 -0.65 1.25 3.08 -1.16 0.20 114.38 117.05 3dpl h ARG 711 Ca 0.14 0.05 0.13 0.00 0.07 0.00 0.00 59.98 60.37 3dpl h ARG 711 Cb 0.48 0.18 -0.12 0.00 0.08 0.00 0.00 29.97 30.58 3dpl h ARG 711 CO 0.02 -0.53 -0.24 0.82 -1.07 0.00 0.00 179.97 178.97 3dpl h ILE 712 N -0.82 0.25 -0.25 2.04 2.04 -1.36 0.20 117.51 119.61 3dpl h ILE 712 Ca -0.07 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.80 3dpl h ILE 712 Cb 0.66 0.25 -0.02 0.00 -0.74 0.00 0.00 36.82 36.96 3dpl h ILE 712 CO 0.08 0.00 0.12 0.25 0.00 0.00 0.00 178.15 178.59 3dpl h LEU 713 N -0.07 0.17 -1.64 1.44 5.85 -1.25 -0.64 115.31 119.16 3dpl h LEU 713 Ca 0.29 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 59.00 3dpl h LEU 713 Cb 0.53 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.54 3dpl h LEU 713 CO -0.70 0.13 -0.10 0.03 -0.34 0.00 0.00 178.44 177.46 3dpl h ARG 714 N 0.25 0.00 0.04 1.25 2.47 0.79 -1.91 114.38 117.28 3dpl h ARG 714 Ca 0.10 0.00 -0.26 0.00 -1.26 0.00 0.00 59.98 58.57 3dpl h ARG 714 Cb 0.04 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.33 3dpl h ARG 714 CO -0.08 0.10 -1.32 1.15 0.56 0.00 0.00 179.97 180.39 3dpl h THR 715 N 0.00 1.36 -0.29 2.04 2.02 -0.19 -2.74 112.91 115.10 3dpl h THR 715 Ca -0.00 -3.07 -0.17 0.00 0.77 0.00 0.00 66.41 63.95 3dpl h THR 715 Cb 0.48 2.74 -0.00 0.00 -1.74 0.00 0.00 68.15 69.63 3dpl h THR 715 CO 0.01 0.82 -0.47 1.56 0.37 0.00 0.00 175.52 177.82 3dpl h GLN 716 N 0.03 0.83 -0.46 6.66 4.20 -0.71 -2.01 115.11 123.66 3dpl h GLN 716 Ca -0.14 -0.50 -0.11 0.00 0.06 0.00 0.00 58.65 57.95 3dpl h GLN 716 Cb 1.91 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 29.72 3dpl h GLN 716 CO 0.13 1.14 -0.13 0.93 -0.67 0.00 0.00 178.83 180.23 3dpl h GLU 717 N 0.61 0.90 -0.60 1.46 5.08 -1.46 -2.40 114.58 118.16 3dpl h GLU 717 Ca 0.02 -0.35 -0.09 0.00 -1.00 0.00 0.00 59.36 57.94 3dpl h GLU 717 Cb 1.07 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.25 3dpl h GLU 717 CO 0.11 1.00 0.04 0.00 -1.00 0.00 0.00 179.01 179.16 3dpl h ALA 718 N 0.87 0.81 -0.12 3.43 0.00 -1.46 -1.13 119.26 121.66 3dpl h ALA 718 Ca 0.11 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 3dpl h ALA 718 Cb 0.69 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 3dpl h ALA 718 CO 0.05 0.62 0.00 0.82 0.00 0.00 0.00 179.25 180.74 3dpl h ILE 719 N 0.94 1.25 0.02 0.00 2.04 -1.30 -1.65 117.51 118.81 3dpl h ILE 719 Ca 0.18 -0.80 0.02 0.00 1.00 0.00 0.00 64.86 65.26 3dpl h ILE 719 Cb 0.51 1.54 -0.03 0.00 -0.74 0.00 0.00 36.82 38.10 3dpl h ILE 719 CO 0.02 0.23 -0.13 0.40 0.00 0.00 0.00 178.15 178.67 3dpl h ILE 720 N -0.05 0.67 -0.48 -0.67 2.04 -1.38 -0.42 117.51 117.23 3dpl h ILE 720 Ca 0.04 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.99 3dpl h ILE 720 Cb 0.35 0.67 -0.10 0.00 -0.74 0.00 0.00 36.82 37.01 3dpl h ILE 720 CO 0.01 0.00 -0.20 -0.61 0.00 0.00 0.00 178.15 177.34 3dpl h GLN 721 N -0.24 -0.10 -0.21 2.37 4.15 -1.12 1.43 115.11 121.39 3dpl h GLN 721 Ca 0.04 0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.45 3dpl h GLN 721 Cb 0.29 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.99 3dpl h GLN 721 CO -0.12 -0.07 0.05 0.82 -1.93 0.00 0.00 178.83 177.59 3dpl h ILE 722 N -0.10 1.11 0.04 2.39 2.04 -0.98 -2.10 117.51 119.91 3dpl h ILE 722 Ca 0.23 -0.38 -0.24 0.00 1.00 0.00 0.00 64.86 65.47 3dpl h ILE 722 Cb 0.45 0.90 0.00 0.00 -0.74 0.00 0.00 36.82 37.43 3dpl h ILE 722 CO -0.54 0.13 -1.02 -0.03 0.00 0.00 0.00 178.15 176.69 3dpl h MET 723 N 0.30 0.36 0.00 2.37 4.05 0.14 -2.13 114.93 120.01 3dpl h MET 723 Ca 0.07 -0.44 0.00 0.00 -0.28 0.00 0.00 59.70 59.06 3dpl h MET 723 Cb 0.12 0.14 0.00 0.00 -0.80 0.00 0.00 31.60 31.06 3dpl h MET 723 CO -0.00 1.13 0.00 1.17 0.23 0.00 0.00 176.91 179.43 3dpl n LYS 724 N -3.69 0.64 -0.01 0.39 4.81 0.45 -3.60 118.16 117.16 3dpl n LYS 724 Ca -0.07 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.33 3dpl n LYS 724 Cb 0.88 -1.42 -0.01 0.00 0.02 0.00 0.00 35.03 34.50 3dpl n LYS 724 CO 0.00 0.00 0.00 -0.12 1.17 0.00 0.00 177.40 178.45 3dpl n MET 725 N -0.92 0.21 -3.17 1.64 1.56 -1.10 -4.95 117.12 110.39 3dpl n MET 725 Ca 0.13 0.08 -0.34 0.00 -0.27 0.00 0.00 57.70 57.30 3dpl n MET 725 Cb 0.06 -0.86 -0.06 0.00 2.15 0.00 0.00 33.22 34.51 3dpl n MET 725 CO 0.00 0.00 0.00 1.03 -0.73 0.00 0.00 175.97 176.27 3dpl s ARG 726 N -2.34 4.07 -0.01 2.12 1.81 -0.81 -4.95 118.95 118.84 3dpl s ARG 726 Ca -0.12 0.69 0.20 0.00 -1.72 0.00 0.00 55.73 54.78 3dpl s ARG 726 Cb 0.02 -2.65 -0.25 0.00 -0.45 0.00 0.00 34.95 31.62 3dpl s ARG 726 CO 0.17 0.28 0.76 1.63 -0.68 0.00 0.00 175.30 177.46 3dpl n LYS 727 N 0.13 0.41 -3.70 3.54 4.76 -1.26 -4.37 118.16 117.68 3dpl n LYS 727 Ca 0.00 -0.05 -0.15 0.00 -2.87 0.00 0.00 58.31 55.25 3dpl n LYS 727 Cb 0.52 -1.46 -0.15 0.00 -1.84 0.00 0.00 35.03 32.10 3dpl n LYS 727 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 3dpl s LYS 728 N -3.04 0.08 -0.00 1.97 2.20 -1.26 -0.05 119.74 119.65 3dpl s LYS 728 Ca 0.04 0.50 -0.10 0.00 -0.36 0.00 0.00 55.97 56.05 3dpl s LYS 728 Cb 0.15 -0.20 0.01 0.00 -1.51 0.00 0.00 37.83 36.27 3dpl s LYS 728 CO 0.84 -0.24 0.19 -1.50 -0.36 0.00 0.00 175.35 174.29 3dpl s ILE 729 N 1.76 0.08 0.32 5.43 2.07 -0.53 -4.97 121.20 125.36 3dpl s ILE 729 Ca -0.03 -0.63 -0.20 0.00 -1.41 0.00 0.00 60.65 58.38 3dpl s ILE 729 Cb -0.12 -0.51 -0.09 0.00 0.13 0.00 0.00 42.46 41.87 3dpl s ILE 729 CO -0.06 -0.35 0.82 -0.94 -1.91 0.00 0.00 174.94 172.50 3dpl s SER 730 N -1.40 6.99 0.16 4.50 1.04 -1.26 0.54 113.70 124.27 3dpl s SER 730 Ca -0.14 1.52 -0.23 0.00 0.48 0.00 0.00 55.95 57.58 3dpl s SER 730 Cb -0.07 -2.46 0.06 0.00 0.10 0.00 0.00 66.02 63.65 3dpl s SER 730 CO 0.02 -0.16 1.60 -1.13 0.98 0.00 0.00 173.24 174.56 3dpl h ASN 731 N 2.63 -1.01 -0.55 7.02 -0.73 -1.93 -0.40 115.58 120.62 3dpl h ASN 731 Ca -0.48 0.18 0.06 0.00 1.87 0.00 0.00 56.30 57.93 3dpl h ASN 731 Cb 1.18 0.48 -0.09 0.00 0.27 0.00 0.00 38.32 40.16 3dpl h ASN 731 CO 0.64 -0.31 -0.56 0.00 -0.37 0.00 0.00 177.43 176.83 3dpl h ALA 732 N 0.79 -0.70 -0.94 1.57 0.00 -2.00 -0.60 119.26 117.38 3dpl h ALA 732 Ca 0.17 0.03 0.13 0.00 0.00 0.00 0.00 54.91 55.24 3dpl h ALA 732 Cb 0.52 1.17 -0.08 0.00 0.00 0.00 0.00 17.79 19.41 3dpl h ALA 732 CO -0.51 -1.02 0.60 0.37 0.00 0.00 0.00 179.25 178.69 3dpl h GLN 733 N -0.30 0.83 -0.30 0.00 4.15 -1.72 -2.72 115.11 115.05 3dpl h GLN 733 Ca 0.10 -0.05 -0.07 0.00 0.77 0.00 0.00 58.65 59.40 3dpl h GLN 733 Cb 0.55 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 28.05 3dpl h GLN 733 CO -0.68 0.55 -0.07 1.25 -1.93 0.00 0.00 178.83 177.95 3dpl h LEU 734 N 0.86 0.58 -0.10 -2.39 5.85 0.36 -2.58 115.31 117.89 3dpl h LEU 734 Ca 0.46 -0.36 0.02 0.00 0.84 0.00 0.00 57.88 58.84 3dpl h LEU 734 Cb 0.57 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 3dpl h LEU 734 CO -0.23 0.81 -0.05 -0.61 -0.34 0.00 0.00 178.44 178.02 3dpl h GLN 735 N 0.34 -0.04 -0.48 1.25 4.15 -0.93 -2.35 115.11 117.05 3dpl h GLN 735 Ca 0.08 0.00 -0.12 0.00 0.77 0.00 0.00 58.65 59.37 3dpl h GLN 735 Cb 0.56 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.24 3dpl h GLN 735 CO 0.03 -0.03 -0.19 0.00 -1.93 0.00 0.00 178.83 176.71 3dpl h THR 736 N -0.04 1.27 -0.01 2.39 1.03 -1.46 -0.52 112.91 115.56 3dpl h THR 736 Ca 0.06 -1.34 0.00 0.00 -0.01 0.00 0.00 66.41 65.11 3dpl h THR 736 Cb 0.12 1.10 0.00 0.00 -1.07 0.00 0.00 68.15 68.31 3dpl h THR 736 CO -0.12 0.46 -0.07 -1.84 -0.01 0.00 0.00 175.52 173.94 3dpl n GLU 737 N -4.12 1.16 0.01 0.00 0.28 -0.98 -2.95 120.64 114.04 3dpl n GLU 737 Ca 0.00 -0.52 -0.16 0.00 -0.16 0.00 0.00 57.16 56.32 3dpl n GLU 737 Cb 0.44 -1.49 -0.14 0.00 1.43 0.00 0.00 31.44 31.68 3dpl n GLU 737 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 3dpl h LEU 738 N 1.26 0.28 -1.33 -1.84 5.85 -1.21 -3.24 115.31 115.07 3dpl h LEU 738 Ca 0.00 -0.58 -0.03 0.00 0.84 0.00 0.00 57.88 58.11 3dpl h LEU 738 Cb 0.37 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 3dpl h LEU 738 CO 0.00 1.51 0.11 0.58 -0.34 0.00 0.00 178.44 180.30 3dpl h VAL 739 N 0.05 1.17 -0.57 1.05 2.07 -0.98 -2.79 116.25 116.24 3dpl h VAL 739 Ca -0.35 -0.59 -0.10 0.00 0.82 0.00 0.00 66.70 66.49 3dpl h VAL 739 Cb 2.03 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 32.54 3dpl h VAL 739 CO 0.10 0.22 -0.04 -0.08 0.02 0.00 0.00 177.57 177.78 3dpl h GLU 740 N 0.55 1.03 -0.14 1.57 4.81 -1.60 -1.95 114.58 118.85 3dpl h GLU 740 Ca 0.13 -0.34 -0.15 0.00 -0.13 0.00 0.00 59.36 58.87 3dpl h GLU 740 Cb 0.19 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 3dpl h GLU 740 CO -0.01 1.03 -0.56 0.82 -0.73 0.00 0.00 179.01 179.56 3dpl h ILE 741 N 0.93 1.34 -0.25 2.32 2.04 -1.53 -2.66 117.51 119.70 3dpl h ILE 741 Ca 0.16 -1.84 0.00 0.00 1.00 0.00 0.00 64.86 64.18 3dpl h ILE 741 Cb 0.60 1.84 0.00 0.00 -0.74 0.00 0.00 36.82 38.52 3dpl h ILE 741 CO 0.04 0.56 0.00 0.18 0.00 0.00 0.00 178.15 178.93 3dpl n LEU 742 N -3.94 1.72 -0.34 1.44 4.77 -1.09 -4.45 117.00 115.12 3dpl n LEU 742 Ca -0.03 -0.80 0.01 0.00 -0.03 0.00 0.00 56.01 55.16 3dpl n LEU 742 Cb 0.60 -0.17 0.07 0.00 -2.33 0.00 0.00 43.42 41.60 3dpl n LEU 742 CO 0.46 0.40 0.63 0.50 -1.33 0.00 0.00 177.39 178.04 3dpl h LYS 743 N 2.07 -0.02 -0.39 3.23 3.64 -0.97 -0.35 116.57 123.78 3dpl h LYS 743 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3dpl h LYS 743 Cb 0.46 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 3dpl h LYS 743 CO 0.00 -0.02 0.00 0.09 -2.27 0.00 0.00 179.45 177.25 3dpl n ASN 744 N -5.51 1.55 0.05 4.20 3.02 -1.26 -4.35 115.26 112.94 3dpl n ASN 744 Ca 0.11 -2.07 0.00 0.00 -0.03 0.00 0.00 54.58 52.59 3dpl n ASN 744 Cb 0.42 -0.25 0.00 0.00 -0.61 0.00 0.00 39.78 39.34 3dpl n ASN 744 CO 0.00 0.00 0.00 0.80 -2.62 0.00 0.00 177.26 175.44 3dpl n MET 745 N 0.19 0.00 -2.88 3.52 1.56 -0.23 -4.74 117.12 114.54 3dpl n MET 745 Ca 0.08 0.00 -0.04 0.00 -0.27 0.00 0.00 57.70 57.47 3dpl n MET 745 Cb 0.28 -0.48 0.02 0.00 2.15 0.00 0.00 33.22 35.19 3dpl n MET 745 CO 0.00 0.00 0.00 1.97 -0.73 0.00 0.00 175.97 177.21 3dpl n PHE 746 N -3.43 -1.45 -3.94 1.12 1.16 -0.67 -0.28 117.46 109.97 3dpl n PHE 746 Ca 0.00 -0.99 -0.31 0.00 -1.87 0.00 0.00 57.45 54.29 3dpl n PHE 746 Cb 0.07 0.49 -0.15 0.00 -1.61 0.00 0.00 39.48 38.28 3dpl n PHE 746 CO 0.00 0.00 0.00 -1.17 -1.87 0.00 0.00 176.76 173.72 3dpl s LEU 747 N 0.00 4.13 0.30 5.98 2.96 -1.26 -4.26 118.68 126.53 3dpl s LEU 747 Ca 0.12 -2.09 -0.30 0.00 -0.22 0.00 0.00 54.13 51.64 3dpl s LEU 747 Cb -0.02 -1.44 -0.11 0.00 0.50 0.00 0.00 46.19 45.11 3dpl s LEU 747 CO 0.05 -0.38 1.61 -0.81 -1.32 0.00 0.00 176.35 175.51 3dpl n PRO 748 N 4.32 2.75 -2.74 0.98 -0.04 -1.26 -4.99 135.00 134.02 3dpl n PRO 748 Ca 0.03 0.98 -0.29 0.00 -0.04 0.00 0.00 63.50 64.18 3dpl n PRO 748 Cb 0.41 -2.77 -0.02 0.00 -0.04 0.00 0.00 33.50 31.09 3dpl n PRO 748 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 3dpl s GLN 749 N -0.53 3.66 0.28 0.54 -0.21 -1.26 -4.93 119.66 117.21 3dpl s GLN 749 Ca 0.64 0.35 0.02 0.00 0.02 0.00 0.00 55.36 56.38 3dpl s GLN 749 Cb -0.49 -2.38 0.61 0.00 1.00 0.00 0.00 33.01 31.76 3dpl s GLN 749 CO 0.49 -0.12 1.77 0.87 -2.12 0.00 0.00 175.29 176.17 3dpl h LYS 750 N 0.77 0.66 0.06 2.91 1.57 -1.99 -2.03 116.57 118.52 3dpl h LYS 750 Ca -0.47 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.28 3dpl h LYS 750 Cb 1.19 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 33.34 3dpl h LYS 750 CO 0.63 0.44 -0.09 -0.22 -0.57 0.00 0.00 179.45 179.64 3dpl h LYS 751 N 0.68 -0.17 -0.64 3.15 3.64 -1.99 -0.70 116.57 120.54 3dpl h LYS 751 Ca 0.51 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.90 3dpl h LYS 751 Cb 0.75 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.58 3dpl h LYS 751 CO -0.37 -0.12 0.41 1.98 -2.27 0.00 0.00 179.45 179.08 3dpl h MET 752 N -0.18 0.86 -0.61 1.90 4.05 -1.78 -0.98 114.93 118.19 3dpl h MET 752 Ca 0.01 -0.06 0.01 0.00 -0.28 0.00 0.00 59.70 59.38 3dpl h MET 752 Cb 0.19 -0.19 -0.03 0.00 -0.80 0.00 0.00 31.60 30.77 3dpl h MET 752 CO -0.04 0.59 0.40 0.82 0.23 0.00 0.00 176.91 178.90 3dpl h ILE 753 N 0.87 1.14 -0.63 1.77 2.04 -1.15 0.18 117.51 121.73 3dpl h ILE 753 Ca 0.23 -0.28 -0.05 0.00 1.00 0.00 0.00 64.86 65.76 3dpl h ILE 753 Cb -0.07 0.26 -0.03 0.00 -0.74 0.00 0.00 36.82 36.24 3dpl h ILE 753 CO -0.05 0.15 0.19 0.50 0.00 0.00 0.00 178.15 178.94 3dpl h LYS 754 N 0.81 0.99 -0.39 2.37 3.64 -0.84 0.23 116.57 123.38 3dpl h LYS 754 Ca 0.23 -0.22 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3dpl h LYS 754 Cb -0.06 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.60 3dpl h LYS 754 CO -0.06 0.88 0.25 0.93 -2.27 0.00 0.00 179.45 179.17 3dpl h GLU 755 N 0.91 0.53 0.04 1.90 5.08 -0.39 0.30 114.58 122.95 3dpl h GLU 755 Ca 0.20 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.52 3dpl h GLU 755 Cb 0.31 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.45 3dpl h GLU 755 CO -0.00 0.37 -0.02 1.96 -1.00 0.00 0.00 179.01 180.32 3dpl h GLN 756 N 0.52 -0.05 -0.55 2.33 1.08 -0.28 0.44 115.11 118.61 3dpl h GLN 756 Ca 0.14 0.00 0.10 0.00 -1.45 0.00 0.00 58.65 57.45 3dpl h GLN 756 Cb -0.02 0.01 -0.08 0.00 -0.05 0.00 0.00 27.48 27.33 3dpl h GLN 756 CO -0.03 0.31 0.07 0.82 -0.95 0.00 0.00 178.83 179.05 3dpl h ILE 757 N -0.43 0.63 -0.45 2.54 2.04 -0.45 0.54 117.51 121.92 3dpl h ILE 757 Ca -0.01 -0.07 0.05 0.00 1.00 0.00 0.00 64.86 65.84 3dpl h ILE 757 Cb 0.39 0.42 -0.05 0.00 -0.74 0.00 0.00 36.82 36.84 3dpl h ILE 757 CO 0.01 0.04 0.19 -0.08 0.00 0.00 0.00 178.15 178.30 3dpl h GLU 758 N 0.19 0.36 -0.66 2.37 4.57 -0.25 -0.42 114.58 120.75 3dpl h GLU 758 Ca 0.28 -0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.42 3dpl h GLU 758 Cb 0.42 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 28.90 3dpl h GLU 758 CO -0.41 0.24 0.31 2.35 -1.18 0.00 0.00 179.01 180.32 3dpl h TRP 759 N 0.37 0.94 -0.21 0.92 7.01 0.11 -2.54 115.95 122.55 3dpl h TRP 759 Ca 0.21 -0.04 -0.12 0.00 2.11 0.00 0.00 58.89 61.05 3dpl h TRP 759 Cb 0.18 -0.29 -0.01 0.00 -2.10 0.00 0.00 29.16 26.93 3dpl h TRP 759 CO -0.14 0.69 -0.38 -0.07 -2.79 0.00 0.00 178.44 175.75 3dpl h LEU 760 N 0.94 0.50 0.11 0.65 3.38 0.12 -2.14 115.31 118.86 3dpl h LEU 760 Ca 0.23 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 3dpl h LEU 760 Cb 0.11 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.72 3dpl h LEU 760 CO -0.03 0.83 -0.05 0.40 0.09 0.00 0.00 178.44 179.68 3dpl h ILE 761 N 0.40 1.06 0.00 1.22 2.04 -0.74 -1.75 117.51 119.74 3dpl h ILE 761 Ca 0.04 -0.67 0.00 0.00 1.00 0.00 0.00 64.86 65.23 3dpl h ILE 761 Cb 0.84 1.48 0.00 0.00 -0.74 0.00 0.00 36.82 38.40 3dpl h ILE 761 CO 0.07 0.16 0.00 1.05 0.00 0.00 0.00 178.15 179.43 3dpl h GLU 762 N -0.46 0.00 -0.32 2.37 4.11 -1.48 -1.38 114.58 117.41 3dpl h GLU 762 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.41 3dpl h GLU 762 Cb 0.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.63 3dpl h GLU 762 CO 0.02 0.00 0.00 0.72 0.07 0.00 0.00 179.01 179.82 3dpl n HIS 763 N -2.38 0.42 -2.14 2.06 8.25 -0.81 -4.96 115.22 115.66 3dpl n HIS 763 Ca 0.01 -0.21 -0.14 0.00 -0.26 0.00 0.00 57.72 57.13 3dpl n HIS 763 Cb 0.21 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.31 3dpl n HIS 763 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3dpl n LYS 764 N 1.04 -1.06 -0.06 -0.41 4.76 -0.52 -4.92 118.16 116.99 3dpl n LYS 764 Ca 0.18 0.70 -0.10 0.00 -2.87 0.00 0.00 58.31 56.22 3dpl n LYS 764 Cb 0.49 -4.93 -0.15 0.00 -1.84 0.00 0.00 35.03 28.61 3dpl n LYS 764 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 3dpl n TYR 765 N -3.82 0.54 -4.29 2.13 4.02 -0.68 -4.72 117.16 110.33 3dpl n TYR 765 Ca -0.16 0.18 -0.18 0.00 -0.01 0.00 0.00 57.90 57.74 3dpl n TYR 765 Cb 0.60 -1.10 -0.06 0.00 -0.02 0.00 0.00 39.34 38.76 3dpl n TYR 765 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 176.86 176.29 3dpl n ILE 766 N -2.95 0.00 -3.61 -0.72 -5.35 -1.19 -2.32 119.36 103.22 3dpl n ILE 766 Ca -0.26 -2.04 -0.13 0.00 -0.27 0.00 0.00 62.75 60.05 3dpl n ILE 766 Cb 1.10 0.93 -0.07 0.00 -1.74 0.00 0.00 39.64 39.86 3dpl n ILE 766 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 3dpl s ARG 767 N -3.19 0.75 1.00 6.28 6.06 -0.71 -4.39 118.95 124.76 3dpl s ARG 767 Ca 0.29 0.68 -0.12 0.00 -2.50 0.00 0.00 55.73 54.08 3dpl s ARG 767 Cb 0.01 0.36 0.19 0.00 0.06 0.00 0.00 34.95 35.58 3dpl s ARG 767 CO 0.20 -0.13 1.08 1.03 -2.50 0.00 0.00 175.30 174.98 3dpl s ARG 768 N -0.06 0.37 0.53 5.12 0.52 -1.26 0.30 118.95 124.47 3dpl s ARG 768 Ca -0.01 0.83 -0.19 0.00 -0.52 0.00 0.00 55.73 55.85 3dpl s ARG 768 Cb -0.04 -1.71 -0.07 0.00 0.52 0.00 0.00 34.95 33.66 3dpl s ARG 768 CO 0.00 -2.85 1.05 0.34 0.02 0.00 0.00 175.30 173.87 3dpl s ASP 769 N -3.08 6.10 0.09 0.23 -1.08 -0.33 -4.63 116.67 113.97 3dpl s ASP 769 Ca 0.66 1.91 -0.26 0.00 -0.52 0.00 0.00 52.55 54.34 3dpl s ASP 769 Cb -0.21 -2.55 -0.14 0.00 -1.46 0.00 0.00 42.92 38.56 3dpl s ASP 769 CO 0.59 -0.95 1.69 -0.33 0.52 0.00 0.00 175.17 176.69 3dpl h GLU 770 N 1.15 -0.33 -2.28 4.34 5.08 -1.94 -3.29 114.58 117.32 3dpl h GLU 770 Ca -0.49 0.02 -0.62 0.00 -1.00 0.00 0.00 59.36 57.28 3dpl h GLU 770 Cb 1.22 0.07 -0.40 0.00 0.50 0.00 0.00 28.75 30.15 3dpl h GLU 770 CO 0.58 -0.22 -0.44 0.45 -1.00 0.00 0.00 179.01 178.38 3dpl n SER 771 N -5.26 4.53 0.00 1.42 2.88 -1.26 -4.95 113.62 110.98 3dpl n SER 771 Ca -0.08 -3.59 0.00 0.00 -1.33 0.00 0.00 58.87 53.86 3dpl n SER 771 Cb 0.18 -0.67 0.00 0.00 -0.75 0.00 0.00 64.21 62.96 3dpl n SER 771 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 3dpl n ASP 772 N 0.23 0.00 0.00 -3.46 -0.08 -1.24 -5.02 116.55 106.98 3dpl n ASP 772 Ca 0.31 0.00 0.07 0.00 -1.51 0.00 0.00 54.79 53.67 3dpl n ASP 772 Cb 0.39 0.00 0.36 0.00 2.34 0.00 0.00 41.12 44.21 3dpl n ASP 772 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 3dpl n ILE 773 N 0.00 0.65 0.00 5.18 5.41 -1.26 -3.19 119.36 126.14 3dpl n ILE 773 Ca 0.00 0.16 0.00 0.00 1.00 0.00 0.00 62.75 63.91 3dpl n ILE 773 Cb 0.00 -0.92 0.00 0.00 -0.71 0.00 0.00 39.64 38.01 3dpl n ILE 773 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 3dpl n ASN 774 N -1.32 0.00 0.00 4.38 3.02 -1.26 -4.90 115.26 115.18 3dpl n ASN 774 Ca 0.06 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.61 3dpl n ASN 774 Cb 0.13 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.30 3dpl n ASN 774 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 3dpl n THR 775 N 0.00 0.00 -4.13 3.41 -1.04 -1.26 -4.12 114.28 107.14 3dpl n THR 775 Ca 0.00 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.70 3dpl n THR 775 Cb 0.00 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.44 3dpl n THR 775 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 3dpl s PHE 776 N 0.00 3.13 -0.15 -1.42 0.40 0.19 -1.19 117.98 118.95 3dpl s PHE 776 Ca 0.00 0.08 0.02 0.00 -0.60 0.00 0.00 56.93 56.42 3dpl s PHE 776 Cb 0.00 -1.63 0.01 0.00 0.51 0.00 0.00 43.02 41.90 3dpl s PHE 776 CO 0.00 0.50 -0.19 0.42 0.70 0.00 0.00 175.22 176.65 3dpl s ILE 777 N -1.27 2.28 0.37 0.64 1.01 0.15 -1.45 121.20 122.93 3dpl s ILE 777 Ca 0.25 -0.90 -0.27 0.00 0.00 0.00 0.00 60.65 59.73 3dpl s ILE 777 Cb -0.12 -1.93 -0.09 0.00 0.01 0.00 0.00 42.46 40.32 3dpl s ILE 777 CO 0.17 0.54 1.31 -0.47 0.00 0.00 0.00 174.94 176.49 3dpl s TYR 778 N 0.84 2.91 -0.21 3.97 5.04 0.93 -1.74 117.35 129.09 3dpl s TYR 778 Ca -0.06 1.40 -0.07 0.00 -2.44 0.00 0.00 57.07 55.90 3dpl s TYR 778 Cb -0.15 -3.69 0.10 0.00 0.35 0.00 0.00 41.96 38.57 3dpl s TYR 778 CO -0.02 -2.03 0.45 0.00 -1.34 0.00 0.00 175.55 172.62 3dpl s MET 779 N -2.05 0.36 0.00 4.97 0.23 -0.98 -4.91 119.30 116.92 3dpl s MET 779 Ca 0.53 1.09 0.00 0.00 -1.03 0.00 0.00 55.69 56.29 3dpl s MET 779 Cb -0.39 0.41 0.00 0.00 -1.53 0.00 0.00 34.83 33.32 3dpl s MET 779 CO 0.51 -0.24 0.00 0.00 -2.03 0.00 0.00 175.02 173.26