#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pze s LEU 387 N 0.00 4.17 -0.03 1.04 1.43 -1.26 -5.09 118.68 118.94 2pze s LEU 387 Ca 0.00 0.37 -0.13 0.00 -1.03 0.00 0.00 54.13 53.34 2pze s LEU 387 Cb 0.00 -2.32 -0.05 0.00 0.03 0.00 0.00 46.19 43.85 2pze s LEU 387 CO 0.00 0.04 0.35 0.28 0.23 0.00 0.00 176.35 177.25 2pze s THR 388 N 0.91 5.14 -0.99 5.49 -1.32 -1.26 -4.99 115.64 118.63 2pze s THR 388 Ca 0.14 0.70 0.10 0.00 -1.21 0.00 0.00 61.69 61.42 2pze s THR 388 Cb -0.14 -3.64 0.21 0.00 -1.51 0.00 0.00 72.50 67.42 2pze s THR 388 CO 0.05 0.57 1.08 1.07 -2.21 0.00 0.00 174.62 175.19 2pze n THR 389 N 1.97 0.65 -1.82 5.08 5.66 -1.26 -5.06 114.28 119.50 2pze n THR 389 Ca -0.15 -0.82 -0.42 0.00 -3.05 0.00 0.00 64.05 59.61 2pze n THR 389 Cb 0.53 0.75 -0.03 0.00 -1.55 0.00 0.00 70.33 70.03 2pze n THR 389 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 2pze s THR 390 N -0.94 2.58 -0.19 1.09 2.01 -1.26 -0.19 115.64 118.73 2pze s THR 390 Ca 0.18 0.24 0.06 0.00 0.31 0.00 0.00 61.69 62.48 2pze s THR 390 Cb 0.10 -3.15 -0.16 0.00 0.01 0.00 0.00 72.50 69.30 2pze s THR 390 CO 0.14 0.01 -0.10 -0.62 -0.69 0.00 0.00 174.62 173.36 2pze n GLU 391 N 4.96 0.81 -4.19 4.92 -0.58 0.58 -4.77 120.64 122.37 2pze n GLU 391 Ca 0.16 0.08 -0.19 0.00 -0.42 0.00 0.00 57.16 56.78 2pze n GLU 391 Cb 0.38 -1.43 -0.16 0.00 -0.57 0.00 0.00 31.44 29.67 2pze n GLU 391 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2pze s VAL 392 N -2.42 0.53 -0.03 2.62 1.01 -0.99 -4.27 120.40 116.85 2pze s VAL 392 Ca -0.21 -0.16 0.03 0.00 0.00 0.00 0.00 61.98 61.64 2pze s VAL 392 Cb 0.06 -0.53 0.00 0.00 0.00 0.00 0.00 36.38 35.92 2pze s VAL 392 CO 0.56 0.21 -0.11 -0.69 0.00 0.00 0.00 175.10 175.06 2pze s VAL 393 N 0.65 0.97 -0.12 2.92 1.01 -0.20 -1.20 120.40 124.44 2pze s VAL 393 Ca -0.09 -0.46 0.03 0.00 0.00 0.00 0.00 61.98 61.46 2pze s VAL 393 Cb -0.12 -0.85 0.00 0.00 0.00 0.00 0.00 36.38 35.41 2pze s VAL 393 CO 0.00 0.29 -0.22 -0.04 0.00 0.00 0.00 175.10 175.14 2pze s MET 394 N 0.14 3.08 -0.17 2.72 -1.94 -0.28 -0.35 119.30 122.51 2pze s MET 394 Ca -0.03 -0.85 -0.00 0.00 -1.71 0.00 0.00 55.69 53.10 2pze s MET 394 Cb -0.09 -2.40 0.04 0.00 2.01 0.00 0.00 34.83 34.39 2pze s MET 394 CO 0.01 0.11 -0.07 -1.21 -0.01 0.00 0.00 175.02 173.85 2pze s GLU 395 N 0.53 1.60 -1.46 2.03 2.02 -0.35 -2.03 118.70 121.03 2pze s GLU 395 Ca -0.14 -0.56 -0.11 0.00 0.02 0.00 0.00 54.97 54.19 2pze s GLU 395 Cb -0.17 -2.06 0.06 0.00 0.10 0.00 0.00 34.13 32.06 2pze s GLU 395 CO 0.05 -0.41 0.99 -1.71 0.02 0.00 0.00 175.26 174.20 2pze n ASN 396 N 4.84 -4.59 -4.69 -0.19 4.05 -1.03 -1.33 115.26 112.32 2pze n ASN 396 Ca -0.13 -0.73 -0.40 0.00 0.45 0.00 0.00 54.58 53.76 2pze n ASN 396 Cb 0.48 -4.16 -0.05 0.00 1.23 0.00 0.00 39.78 37.28 2pze n ASN 396 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 2pze s VAL 397 N -3.35 4.99 -0.02 3.44 1.01 -0.76 -2.88 120.40 122.83 2pze s VAL 397 Ca 0.55 1.46 0.05 0.00 0.00 0.00 0.00 61.98 64.04 2pze s VAL 397 Cb -0.27 -4.06 -0.01 0.00 0.00 0.00 0.00 36.38 32.04 2pze s VAL 397 CO 0.81 0.15 -0.16 -0.89 0.00 0.00 0.00 175.10 175.00 2pze s THR 398 N 1.47 1.31 0.01 3.92 2.01 -0.96 -0.97 115.64 122.43 2pze s THR 398 Ca 0.36 -0.70 -0.09 0.00 0.31 0.00 0.00 61.69 61.57 2pze s THR 398 Cb -0.17 -1.09 0.01 0.00 0.01 0.00 0.00 72.50 71.25 2pze s THR 398 CO 0.15 0.37 0.18 0.00 -0.69 0.00 0.00 174.62 174.63 2pze s ALA 399 N -0.33 -0.41 -0.03 7.40 0.00 -0.31 0.48 121.76 128.56 2pze s ALA 399 Ca 0.05 -0.09 0.05 0.00 0.00 0.00 0.00 51.96 51.98 2pze s ALA 399 Cb -0.07 0.14 -0.01 0.00 0.00 0.00 0.00 23.12 23.18 2pze s ALA 399 CO -0.00 -0.25 -0.20 -0.06 0.00 0.00 0.00 175.76 175.25 2pze s PHE 400 N -1.60 1.87 0.02 0.00 0.40 -1.26 -0.29 117.98 117.12 2pze s PHE 400 Ca -0.13 -0.46 -0.10 0.00 -0.60 0.00 0.00 56.93 55.64 2pze s PHE 400 Cb -0.06 -1.23 -0.32 0.00 0.51 0.00 0.00 43.02 41.92 2pze s PHE 400 CO 0.01 -0.11 0.94 -1.49 0.70 0.00 0.00 175.22 175.26 2pze h TRP 401 N 5.95 0.75 -3.55 0.36 4.06 -1.96 -3.41 115.95 118.15 2pze h TRP 401 Ca -0.35 -0.55 -0.70 0.00 2.06 0.00 0.00 58.89 59.35 2pze h TRP 401 Cb 1.16 -0.03 -0.35 0.00 -1.00 0.00 0.00 29.16 28.94 2pze h TRP 401 CO 0.42 1.50 -0.34 -1.21 -3.56 0.00 0.00 178.44 175.25 2pze s GLU 402 N -2.61 2.63 -0.90 0.49 2.02 -1.26 -5.02 118.70 114.04 2pze s GLU 402 Ca -0.09 -2.58 -0.24 0.00 0.02 0.00 0.00 54.97 52.08 2pze s GLU 402 Cb 0.05 -3.76 -0.19 0.00 0.10 0.00 0.00 34.13 30.34 2pze s GLU 402 CO 0.90 -1.18 2.17 0.39 0.02 0.00 0.00 175.26 177.56 2pze n GLU 403 N 3.42 0.26 0.00 1.61 -0.58 -1.26 -1.72 120.64 122.37 2pze n GLU 403 Ca 0.09 -1.19 0.00 0.00 -0.42 0.00 0.00 57.16 55.64 2pze n GLU 403 Cb 0.38 -3.53 0.00 0.00 -0.57 0.00 0.00 31.44 27.72 2pze n GLU 403 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2pze n GLY 404 N 6.27 1.64 0.00 0.62 0.00 -1.26 -5.13 105.19 107.33 2pze n GLY 404 Ca 0.42 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.30 2pze n GLY 404 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pze n GLY 437 N 0.00 0.12 3.86 -0.02 0.00 -0.70 -5.01 105.19 103.44 2pze n GLY 437 Ca 0.00 -0.23 -0.36 0.00 0.00 0.00 0.00 46.02 45.43 2pze n GLY 437 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2pze s THR 438 N 0.00 5.13 0.51 2.61 -1.32 -1.26 -5.07 115.64 116.24 2pze s THR 438 Ca 0.00 0.52 -0.22 0.00 -1.21 0.00 0.00 61.69 60.78 2pze s THR 438 Cb 0.00 -3.64 -0.06 0.00 -1.51 0.00 0.00 72.50 67.29 2pze s THR 438 CO 0.00 0.41 1.23 -2.16 -2.21 0.00 0.00 174.62 171.88 2pze s PRO 439 N -1.59 3.41 0.15 7.08 0.04 -1.26 -4.75 135.00 138.08 2pze s PRO 439 Ca 0.28 1.92 0.09 0.00 0.04 0.00 0.00 61.00 63.33 2pze s PRO 439 Cb -0.15 -2.26 -0.15 0.00 0.04 0.00 0.00 34.50 31.99 2pze s PRO 439 CO 0.15 -0.88 1.30 -0.24 0.04 0.00 0.00 177.00 177.38 2pze h VAL 440 N 1.54 1.50 -3.74 -0.36 3.04 -1.01 -3.45 116.25 113.77 2pze h VAL 440 Ca -0.50 -3.13 -0.35 0.00 -1.01 0.00 0.00 66.70 61.71 2pze h VAL 440 Cb 1.27 2.74 -0.31 0.00 -2.01 0.00 0.00 31.29 32.99 2pze h VAL 440 CO 0.58 0.86 -0.76 -0.76 -1.01 0.00 0.00 177.57 176.48 2pze s LEU 441 N -6.64 1.71 -0.06 3.16 1.43 -1.13 -4.21 118.68 112.94 2pze s LEU 441 Ca 0.02 -0.09 0.01 0.00 -1.03 0.00 0.00 54.13 53.03 2pze s LEU 441 Cb 0.09 -0.31 0.02 0.00 0.03 0.00 0.00 46.19 46.02 2pze s LEU 441 CO 0.80 0.01 -0.05 -0.75 0.23 0.00 0.00 176.35 176.59 2pze s LYS 442 N 0.31 0.98 -1.38 1.70 2.47 0.43 -1.16 119.74 123.08 2pze s LYS 442 Ca -0.03 -0.13 -0.02 0.00 -1.56 0.00 0.00 55.97 54.23 2pze s LYS 442 Cb -0.07 -1.01 0.01 0.00 -1.46 0.00 0.00 37.83 35.30 2pze s LYS 442 CO -0.00 -0.12 0.62 -0.25 0.16 0.00 0.00 175.35 175.76 2pze n ASP 443 N 4.29 -1.26 -4.72 1.43 10.43 -0.18 -4.41 116.55 122.12 2pze n ASP 443 Ca -0.20 -0.89 -0.41 0.00 2.57 0.00 0.00 54.79 55.86 2pze n ASP 443 Cb 0.51 -3.61 -0.04 0.00 1.84 0.00 0.00 41.12 39.81 2pze n ASP 443 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 2pze s ILE 444 N -3.73 4.93 -0.06 0.53 -1.09 -0.15 -4.67 121.20 116.97 2pze s ILE 444 Ca 0.09 1.73 -0.01 0.00 -2.23 0.00 0.00 60.65 60.24 2pze s ILE 444 Cb -0.05 -4.17 0.03 0.00 -1.58 0.00 0.00 42.46 36.69 2pze s ILE 444 CO 0.85 0.23 -0.01 0.20 -1.23 0.00 0.00 174.94 174.98 2pze s ASN 445 N 0.76 1.27 0.22 3.58 0.01 -1.26 -1.82 114.94 117.70 2pze s ASN 445 Ca 0.44 -0.08 -0.22 0.00 -0.71 0.00 0.00 52.86 52.28 2pze s ASN 445 Cb -0.19 -0.41 0.04 0.00 0.41 0.00 0.00 41.25 41.10 2pze s ASN 445 CO 0.23 -0.15 0.71 0.72 -1.51 0.00 0.00 177.10 177.10 2pze s PHE 446 N 1.59 -0.30 -0.04 2.20 -0.12 -0.86 -4.99 117.98 115.46 2pze s PHE 446 Ca -0.01 -0.05 -0.05 0.00 -0.05 0.00 0.00 56.93 56.77 2pze s PHE 446 Cb -0.13 0.65 0.01 0.00 -0.63 0.00 0.00 43.02 42.92 2pze s PHE 446 CO -0.03 -1.05 0.13 -1.59 -0.05 0.00 0.00 175.22 172.63 2pze s LYS 447 N -3.77 0.24 -0.10 1.99 -2.85 -1.26 -1.12 119.74 112.86 2pze s LYS 447 Ca 0.08 0.03 0.04 0.00 -1.00 0.00 0.00 55.97 55.12 2pze s LYS 447 Cb -0.04 0.11 0.00 0.00 -2.06 0.00 0.00 37.83 35.84 2pze s LYS 447 CO -0.00 -0.04 -0.24 0.42 0.10 0.00 0.00 175.35 175.59 2pze s ILE 448 N -0.31 2.02 0.44 3.79 1.01 -0.34 -5.00 121.20 122.81 2pze s ILE 448 Ca -0.04 -1.00 -0.09 0.00 0.00 0.00 0.00 60.65 59.52 2pze s ILE 448 Cb -0.03 -1.75 -0.05 0.00 0.01 0.00 0.00 42.46 40.64 2pze s ILE 448 CO 0.00 0.55 0.78 -1.61 0.00 0.00 0.00 174.94 174.67 2pze s GLU 449 N 0.34 3.69 0.20 2.79 0.41 -1.26 -0.31 118.70 124.56 2pze s GLU 449 Ca -0.18 0.39 -0.33 0.00 -0.41 0.00 0.00 54.97 54.44 2pze s GLU 449 Cb -0.18 -2.37 -0.13 0.00 -1.78 0.00 0.00 34.13 29.67 2pze s GLU 449 CO 0.09 -0.11 1.58 -2.13 -0.49 0.00 0.00 175.26 174.19 2pze n ARG 450 N -1.68 2.32 -0.43 1.61 0.63 0.74 -2.11 116.66 117.74 2pze n ARG 450 Ca 0.02 0.83 0.00 0.00 -0.92 0.00 0.00 57.85 57.78 2pze n ARG 450 Cb 0.54 -2.60 0.00 0.00 0.45 0.00 0.00 32.46 30.85 2pze n ARG 450 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2pze n GLY 451 N 3.14 1.10 3.88 5.14 0.00 -1.26 -4.93 105.19 112.26 2pze n GLY 451 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 2pze n GLY 451 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2pze s GLN 452 N -0.39 3.72 -0.25 1.61 -0.21 -0.90 -4.37 119.66 118.87 2pze s GLN 452 Ca 0.00 0.50 -0.07 0.00 0.02 0.00 0.00 55.36 55.80 2pze s GLN 452 Cb 0.00 -2.32 -0.03 0.00 1.00 0.00 0.00 33.01 31.66 2pze s GLN 452 CO 0.00 -0.18 0.08 -1.17 -2.12 0.00 0.00 175.29 171.90 2pze s LEU 453 N -4.27 3.49 -0.23 2.90 2.96 -1.26 -1.46 118.68 120.81 2pze s LEU 453 Ca 0.52 -0.18 -0.09 0.00 -0.22 0.00 0.00 54.13 54.16 2pze s LEU 453 Cb -0.10 -1.93 -0.04 0.00 0.50 0.00 0.00 46.19 44.61 2pze s LEU 453 CO 0.38 -0.02 0.11 -0.22 -1.32 0.00 0.00 176.35 175.27 2pze s LEU 454 N 1.55 3.81 -0.11 -0.68 2.96 -0.30 -1.04 118.68 124.87 2pze s LEU 454 Ca 0.06 -0.01 -0.16 0.00 -0.22 0.00 0.00 54.13 53.80 2pze s LEU 454 Cb -0.15 -2.01 -0.05 0.00 0.50 0.00 0.00 46.19 44.48 2pze s LEU 454 CO 0.04 0.05 0.40 0.00 -1.32 0.00 0.00 176.35 175.52 2pze s ALA 455 N 1.14 3.56 -0.21 5.97 0.00 -0.08 -1.34 121.76 130.79 2pze s ALA 455 Ca 0.06 -0.28 -0.03 0.00 0.00 0.00 0.00 51.96 51.71 2pze s ALA 455 Cb -0.14 -2.51 -0.00 0.00 0.00 0.00 0.00 23.12 20.47 2pze s ALA 455 CO 0.04 0.13 -0.08 0.08 0.00 0.00 0.00 175.76 175.93 2pze s VAL 456 N 0.24 3.05 0.28 0.00 1.01 0.18 -0.72 120.40 124.43 2pze s VAL 456 Ca 0.22 -0.60 0.08 0.00 0.00 0.00 0.00 61.98 61.68 2pze s VAL 456 Cb -0.15 -2.36 -0.06 0.00 0.00 0.00 0.00 36.38 33.81 2pze s VAL 456 CO 0.09 0.45 -0.09 0.00 0.00 0.00 0.00 175.10 175.55 2pze s ALA 457 N 1.40 2.42 0.00 5.51 0.00 -0.40 -0.90 121.76 129.80 2pze s ALA 457 Ca 0.05 -1.89 0.00 0.00 0.00 0.00 0.00 51.96 50.12 2pze s ALA 457 Cb -0.14 0.07 0.00 0.00 0.00 0.00 0.00 23.12 23.05 2pze s ALA 457 CO -0.05 0.01 0.00 0.41 0.00 0.00 0.00 175.76 176.12 2pze n GLY 458 N -0.58 3.79 3.65 0.00 0.00 -1.26 -1.20 105.19 109.58 2pze n GLY 458 Ca -0.06 -1.18 -0.30 0.00 0.00 0.00 0.00 46.02 44.48 2pze n GLY 458 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2pze s SER 459 N 0.00 2.66 0.18 1.61 1.04 -1.26 -4.86 113.70 113.07 2pze s SER 459 Ca 0.00 1.63 -0.33 0.00 0.48 0.00 0.00 55.95 57.73 2pze s SER 459 Cb 0.00 -2.28 -0.15 0.00 0.10 0.00 0.00 66.02 63.69 2pze s SER 459 CO 0.00 -3.17 1.35 1.07 0.98 0.00 0.00 173.24 173.47 2pze n THR 460 N -4.24 0.60 -0.74 2.02 5.66 -1.26 -1.56 114.28 114.75 2pze n THR 460 Ca 0.07 -0.15 0.00 0.00 -3.05 0.00 0.00 64.05 60.92 2pze n THR 460 Cb 0.54 -1.18 0.00 0.00 -1.55 0.00 0.00 70.33 68.15 2pze n THR 460 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2pze n GLY 461 N 2.40 0.90 0.24 1.09 0.00 -1.26 -4.93 105.19 103.64 2pze n GLY 461 Ca 0.15 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.26 2pze n GLY 461 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pze h ALA 462 N 0.00 1.37 0.00 4.61 0.00 -1.62 -3.43 119.26 120.20 2pze h ALA 462 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2pze h ALA 462 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2pze h ALA 462 CO 0.00 0.21 0.00 0.41 0.00 0.00 0.00 179.25 179.87 2pze n GLY 463 N -0.70 1.45 0.11 0.00 0.00 -1.26 -0.42 105.19 104.37 2pze n GLY 463 Ca -0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.87 2pze n GLY 463 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2pze h LYS 464 N 0.00 -0.16 -0.64 1.61 1.57 -1.91 -0.37 116.57 116.67 2pze h LYS 464 Ca 0.00 0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.73 2pze h LYS 464 Cb 0.00 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 2pze h LYS 464 CO 0.00 0.12 0.15 1.15 -0.57 0.00 0.00 179.45 180.30 2pze h THR 465 N -0.45 1.25 -0.67 -0.16 2.02 -2.00 -2.54 112.91 110.37 2pze h THR 465 Ca -0.02 -0.92 0.02 0.00 0.77 0.00 0.00 66.41 66.26 2pze h THR 465 Cb 0.36 0.60 -0.03 0.00 -1.74 0.00 0.00 68.15 67.33 2pze h THR 465 CO 0.03 0.35 0.44 0.28 0.37 0.00 0.00 175.52 176.99 2pze h SER 466 N 0.96 0.73 -0.29 4.18 0.02 -1.92 0.36 113.55 117.59 2pze h SER 466 Ca 0.20 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.14 2pze h SER 466 Cb 0.35 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 2pze h SER 466 CO 0.00 0.52 0.18 0.25 -1.14 0.00 0.00 176.83 176.64 2pze h LEU 467 N 0.86 0.34 -0.73 5.07 5.85 -0.65 -1.07 115.31 124.98 2pze h LEU 467 Ca 0.25 -0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.95 2pze h LEU 467 Cb -0.03 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 40.87 2pze h LEU 467 CO -0.06 0.28 0.48 -0.07 -0.34 0.00 0.00 178.44 178.73 2pze h LEU 468 N 0.37 0.81 -1.24 2.25 3.38 -1.06 -2.32 115.31 117.50 2pze h LEU 468 Ca 0.10 -0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.12 2pze h LEU 468 Cb -0.00 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.50 2pze h LEU 468 CO -0.02 0.58 0.54 0.24 0.09 0.00 0.00 178.44 179.87 2pze h MET 469 N 0.96 0.90 -0.60 1.13 2.86 -0.51 -1.33 114.93 118.34 2pze h MET 469 Ca 0.27 -0.05 -0.06 0.00 -2.06 0.00 0.00 59.70 57.80 2pze h MET 469 Cb -0.08 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 31.36 2pze h MET 469 CO -0.07 0.60 0.14 0.52 1.06 0.00 0.00 176.91 179.15 2pze h MET 470 N 0.93 0.96 -0.68 1.72 2.86 -0.69 -0.73 114.93 119.31 2pze h MET 470 Ca 0.35 -0.24 -0.00 0.00 -2.06 0.00 0.00 59.70 57.75 2pze h MET 470 Cb 0.18 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.69 2pze h MET 470 CO -0.12 0.89 0.41 0.82 1.06 0.00 0.00 176.91 179.97 2pze h ILE 471 N 0.88 1.19 -0.00 -1.22 2.04 -0.79 -2.35 117.51 117.25 2pze h ILE 471 Ca 0.19 -0.41 0.00 0.00 1.00 0.00 0.00 64.86 65.64 2pze h ILE 471 Cb 0.36 0.23 0.00 0.00 -0.74 0.00 0.00 36.82 36.67 2pze h ILE 471 CO 0.00 0.20 -0.05 0.23 0.00 0.00 0.00 178.15 178.53 2pze n MET 472 N -4.40 0.77 -0.85 2.37 2.81 -0.69 -4.92 117.12 112.20 2pze n MET 472 Ca 0.07 -0.18 0.00 0.00 -1.81 0.00 0.00 57.70 55.78 2pze n MET 472 Cb 0.07 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.08 2pze n MET 472 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2pze n GLY 473 N 1.21 0.71 0.21 3.03 0.00 -0.87 -4.91 105.19 104.58 2pze n GLY 473 Ca 0.17 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.31 2pze n GLY 473 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2pze h GLU 474 N 2.18 0.00 -4.24 1.61 4.39 -1.39 -3.42 114.58 113.71 2pze h GLU 474 Ca 0.00 0.00 -0.49 0.00 0.34 0.00 0.00 59.36 59.21 2pze h GLU 474 Cb 0.00 0.00 -0.35 0.00 -0.10 0.00 0.00 28.75 28.30 2pze h GLU 474 CO 0.00 0.00 -0.80 -1.17 -1.16 0.00 0.00 179.01 175.88 2pze s LEU 475 N -6.11 1.31 -0.02 1.33 2.96 -1.16 -4.97 118.68 112.02 2pze s LEU 475 Ca 0.07 -0.24 -0.02 0.00 -0.22 0.00 0.00 54.13 53.71 2pze s LEU 475 Cb 0.05 -0.71 -0.04 0.00 0.50 0.00 0.00 46.19 45.99 2pze s LEU 475 CO 0.67 -0.06 0.15 -1.61 -1.32 0.00 0.00 176.35 174.18 2pze s GLU 476 N 1.21 3.33 0.55 1.98 2.02 -1.26 -4.29 118.70 122.24 2pze s GLU 476 Ca -0.05 -0.35 -0.18 0.00 0.02 0.00 0.00 54.97 54.41 2pze s GLU 476 Cb -0.14 -3.03 -0.05 0.00 0.10 0.00 0.00 34.13 31.00 2pze s GLU 476 CO -0.02 0.68 1.06 -1.25 0.02 0.00 0.00 175.26 175.75 2pze s PRO 477 N -1.78 3.46 0.01 0.39 0.04 -1.26 -4.59 135.00 131.26 2pze s PRO 477 Ca 0.25 1.32 0.15 0.00 0.04 0.00 0.00 61.00 62.76 2pze s PRO 477 Cb -0.12 -2.05 -0.18 0.00 0.04 0.00 0.00 34.50 32.19 2pze s PRO 477 CO 0.16 -0.71 0.74 0.43 0.04 0.00 0.00 177.00 177.66 2pze n SER 478 N -1.59 0.86 -4.11 6.66 7.64 0.18 -4.95 113.62 118.32 2pze n SER 478 Ca 0.09 0.39 -0.09 0.00 1.01 0.00 0.00 58.87 60.27 2pze n SER 478 Cb 0.52 0.06 -0.10 0.00 -1.01 0.00 0.00 64.21 63.69 2pze n SER 478 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2pze s GLU 479 N -2.77 0.66 0.16 1.43 8.01 -1.09 -4.98 118.70 120.12 2pze s GLU 479 Ca -0.04 -1.16 0.00 0.00 0.01 0.00 0.00 54.97 53.78 2pze s GLU 479 Cb 0.08 -0.01 0.00 0.00 -4.31 0.00 0.00 34.13 29.89 2pze s GLU 479 CO 0.82 -0.05 0.00 0.41 0.01 0.00 0.00 175.26 176.45 2pze n GLY 480 N 0.33 -2.60 3.04 -1.39 0.00 -1.14 -2.26 105.19 101.17 2pze n GLY 480 Ca -0.15 -1.65 -0.20 0.00 0.00 0.00 0.00 46.02 44.02 2pze n GLY 480 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pze s LYS 481 N -0.80 0.88 -0.13 1.61 -0.14 -0.44 -4.92 119.74 115.81 2pze s LYS 481 Ca 0.00 -0.36 0.00 0.00 -1.36 0.00 0.00 55.97 54.25 2pze s LYS 481 Cb 0.00 -0.85 -0.01 0.00 -1.68 0.00 0.00 37.83 35.29 2pze s LYS 481 CO 0.00 0.20 -0.15 0.42 -0.76 0.00 0.00 175.35 175.07 2pze s ILE 482 N -0.16 2.86 -0.19 2.17 1.01 -1.26 -1.21 121.20 124.42 2pze s ILE 482 Ca 0.03 -0.73 0.01 0.00 0.00 0.00 0.00 60.65 59.96 2pze s ILE 482 Cb -0.05 -2.19 0.03 0.00 0.01 0.00 0.00 42.46 40.26 2pze s ILE 482 CO -0.00 0.53 -0.17 -0.54 0.00 0.00 0.00 174.94 174.76 2pze s LYS 483 N 0.45 2.66 -0.27 2.79 -0.14 0.52 -4.98 119.74 120.77 2pze s LYS 483 Ca -0.11 -0.86 -0.16 0.00 -1.36 0.00 0.00 55.97 53.48 2pze s LYS 483 Cb -0.16 -2.52 0.08 0.00 -1.68 0.00 0.00 37.83 33.55 2pze s LYS 483 CO 0.05 -0.29 0.66 -1.58 -0.76 0.00 0.00 175.35 173.43 2pze s HIS 484 N 1.31 -0.98 -0.14 3.18 5.04 -1.26 -1.03 115.29 121.41 2pze s HIS 484 Ca 0.02 2.01 0.00 0.00 -1.54 0.00 0.00 55.06 55.56 2pze s HIS 484 Cb -0.14 0.56 0.02 0.00 0.04 0.00 0.00 32.58 33.05 2pze s HIS 484 CO -0.11 -0.49 -0.13 0.45 -2.34 0.00 0.00 174.74 172.12 2pze s SER 485 N 1.47 2.59 0.00 9.88 0.15 -1.26 -5.10 113.70 121.43 2pze s SER 485 Ca -0.09 -0.46 0.00 0.00 0.70 0.00 0.00 55.95 56.11 2pze s SER 485 Cb -0.05 -1.13 0.00 0.00 -1.71 0.00 0.00 66.02 63.13 2pze s SER 485 CO -0.17 -0.06 0.00 0.61 1.20 0.00 0.00 173.24 174.83 2pze n GLY 486 N 4.73 2.67 3.73 9.45 0.00 -1.26 -5.06 105.19 119.44 2pze n GLY 486 Ca -0.17 -1.05 -0.41 0.00 0.00 0.00 0.00 46.02 44.40 2pze n GLY 486 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2pze s ARG 487 N -2.04 4.53 -0.11 1.61 3.52 -1.26 -4.93 118.95 120.28 2pze s ARG 487 Ca 0.00 1.17 -0.05 0.00 -0.13 0.00 0.00 55.73 56.72 2pze s ARG 487 Cb 0.00 -3.41 -0.04 0.00 -1.56 0.00 0.00 34.95 29.94 2pze s ARG 487 CO 0.00 0.14 0.07 0.42 -0.81 0.00 0.00 175.30 175.12 2pze s ILE 488 N 0.42 4.94 -0.12 4.11 1.01 -1.26 -0.48 121.20 129.82 2pze s ILE 488 Ca 0.43 -0.01 0.02 0.00 0.00 0.00 0.00 60.65 61.10 2pze s ILE 488 Cb -0.20 -3.12 -0.00 0.00 0.01 0.00 0.00 42.46 39.14 2pze s ILE 488 CO 0.24 0.61 -0.20 -0.55 0.00 0.00 0.00 174.94 175.04 2pze s SER 489 N -0.91 3.36 -0.16 3.58 0.15 -0.39 -4.97 113.70 114.36 2pze s SER 489 Ca 0.14 -0.51 0.01 0.00 0.70 0.00 0.00 55.95 56.29 2pze s SER 489 Cb -0.12 -1.48 0.01 0.00 -1.71 0.00 0.00 66.02 62.72 2pze s SER 489 CO 0.03 0.14 -0.19 0.12 1.20 0.00 0.00 173.24 174.54 2pze s PHE 490 N 0.49 2.73 -0.41 3.44 5.36 -1.26 -0.30 117.98 128.03 2pze s PHE 490 Ca -0.13 -1.32 -0.10 0.00 -0.96 0.00 0.00 56.93 54.41 2pze s PHE 490 Cb -0.17 -1.87 0.06 0.00 -0.34 0.00 0.00 43.02 40.70 2pze s PHE 490 CO 0.05 -0.62 0.25 0.00 -1.46 0.00 0.00 175.22 173.44 2pze s SER 492 N 1.97 5.81 0.47 0.00 0.15 -1.26 -0.87 113.70 119.98 2pze s SER 492 Ca 0.03 1.40 0.14 0.00 0.70 0.00 0.00 55.95 58.21 2pze s SER 492 Cb -0.22 -2.35 1.10 0.00 -1.71 0.00 0.00 66.02 62.84 2pze s SER 492 CO 0.04 -1.14 2.07 1.56 1.20 0.00 0.00 173.24 176.97 2pze h GLN 493 N -0.51 0.08 -6.34 5.44 4.20 -1.91 -3.39 115.11 112.69 2pze h GLN 493 Ca -0.44 -0.01 -0.54 0.00 0.06 0.00 0.00 58.65 57.71 2pze h GLN 493 Cb 1.21 -0.02 -0.05 0.00 0.30 0.00 0.00 27.48 28.92 2pze h GLN 493 CO 0.61 0.13 1.15 -0.06 -0.67 0.00 0.00 178.83 179.99 2pze s PHE 494 N -4.94 2.15 -1.17 2.96 2.99 -1.26 -4.92 117.98 113.79 2pze s PHE 494 Ca -0.05 0.53 -0.21 0.00 0.00 0.00 0.00 56.93 57.20 2pze s PHE 494 Cb 0.16 -4.32 0.02 0.00 0.00 0.00 0.00 43.02 38.88 2pze s PHE 494 CO 0.69 -2.13 1.74 -1.12 -0.00 0.00 0.00 175.22 174.40 2pze s SER 495 N 5.09 6.19 0.21 1.36 0.01 -1.26 -4.96 113.70 120.34 2pze s SER 495 Ca 0.57 -1.86 -0.06 0.00 1.31 0.00 0.00 55.95 55.91 2pze s SER 495 Cb -0.12 -2.58 -0.06 0.00 0.21 0.00 0.00 66.02 63.47 2pze s SER 495 CO 0.25 -1.83 0.48 -1.66 0.41 0.00 0.00 173.24 170.90 2pze s TRP 496 N 6.49 3.46 -0.04 2.43 1.48 -1.26 -4.83 118.94 126.66 2pze s TRP 496 Ca 0.57 0.69 0.00 0.00 -1.06 0.00 0.00 56.10 56.30 2pze s TRP 496 Cb 0.01 -2.12 0.02 0.00 -1.16 0.00 0.00 33.47 30.23 2pze s TRP 496 CO 0.04 0.31 -0.02 0.42 -4.06 0.00 0.00 176.95 173.64 2pze s ILE 497 N -1.82 0.35 0.26 0.66 -1.09 -1.26 -4.74 121.20 113.55 2pze s ILE 497 Ca 0.44 0.01 -0.03 0.00 -2.23 0.00 0.00 60.65 58.84 2pze s ILE 497 Cb -0.11 -0.42 -0.05 0.00 -1.58 0.00 0.00 42.46 40.30 2pze s ILE 497 CO 0.25 0.19 0.49 0.00 -1.23 0.00 0.00 174.94 174.64 2pze s MET 498 N 1.12 3.59 0.24 2.79 0.23 -1.26 -1.34 119.30 124.67 2pze s MET 498 Ca -0.08 -0.13 -0.31 0.00 -1.03 0.00 0.00 55.69 54.14 2pze s MET 498 Cb -0.14 -2.72 -0.13 0.00 -1.53 0.00 0.00 34.83 30.31 2pze s MET 498 CO -0.01 0.28 1.41 -0.35 -2.03 0.00 0.00 175.02 174.32 2pze n PRO 499 N -0.84 2.04 0.00 3.16 -0.04 -1.26 -4.59 135.00 133.47 2pze n PRO 499 Ca -0.03 0.73 0.00 0.00 -0.04 0.00 0.00 63.50 64.16 2pze n PRO 499 Cb 0.54 -2.38 0.00 0.00 -0.04 0.00 0.00 33.50 31.61 2pze n PRO 499 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2pze n GLY 500 N 2.13 0.97 3.81 0.55 0.00 -0.26 -4.95 105.19 107.45 2pze n GLY 500 Ca 0.11 -2.06 -0.29 0.00 0.00 0.00 0.00 46.02 43.79 2pze n GLY 500 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2pze s THR 501 N -1.02 2.13 0.11 2.61 -4.23 -1.26 0.45 115.64 114.43 2pze s THR 501 Ca 0.00 0.04 -0.20 0.00 -1.18 0.00 0.00 61.69 60.36 2pze s THR 501 Cb 0.00 -2.84 -0.07 0.00 1.34 0.00 0.00 72.50 70.93 2pze s THR 501 CO 0.00 -0.06 1.73 0.40 -0.54 0.00 0.00 174.62 176.15 2pze h ILE 502 N -1.37 1.09 -0.48 2.99 2.04 -1.64 -0.80 117.51 119.34 2pze h ILE 502 Ca -0.49 -0.23 0.08 0.00 1.00 0.00 0.00 64.86 65.22 2pze h ILE 502 Cb 1.32 0.88 -0.07 0.00 -0.74 0.00 0.00 36.82 38.22 2pze h ILE 502 CO 0.62 0.09 0.10 0.50 0.00 0.00 0.00 178.15 179.46 2pze h LYS 503 N 0.24 0.23 -0.75 2.37 3.64 -1.84 -1.13 116.57 119.32 2pze h LYS 503 Ca 0.07 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.39 2pze h LYS 503 Cb 0.04 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.77 2pze h LYS 503 CO -0.01 0.15 0.29 0.93 -2.27 0.00 0.00 179.45 178.53 2pze h GLU 504 N 0.23 1.13 -0.46 1.90 5.08 -1.79 -0.94 114.58 119.73 2pze h GLU 504 Ca 0.24 -0.21 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2pze h GLU 504 Cb 0.32 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 2pze h GLU 504 CO -0.31 0.93 0.28 -0.91 -1.00 0.00 0.00 179.01 178.00 2pze h ASN 505 N 1.09 0.54 0.12 1.42 2.35 -0.63 -0.89 115.58 119.57 2pze h ASN 505 Ca 0.25 -0.02 -0.20 0.00 -0.55 0.00 0.00 56.30 55.78 2pze h ASN 505 Cb 0.23 -0.13 0.01 0.00 0.05 0.00 0.00 38.32 38.48 2pze h ASN 505 CO -0.02 0.41 -0.94 0.40 -1.65 0.00 0.00 177.43 175.62 2pze h ILE 506 N 0.63 1.38 -0.20 2.81 2.04 -0.75 -3.35 117.51 120.07 2pze h ILE 506 Ca 0.17 -2.48 -0.04 0.00 1.00 0.00 0.00 64.86 63.51 2pze h ILE 506 Cb -0.04 3.06 -0.01 0.00 -0.74 0.00 0.00 36.82 39.09 2pze h ILE 506 CO -0.03 0.70 -0.02 0.40 0.00 0.00 0.00 178.15 179.19 2pze h ILE 507 N -0.41 1.27 -6.31 -0.67 1.08 -1.23 -3.39 117.51 107.86 2pze h ILE 507 Ca -0.18 -0.94 -0.46 0.00 -0.39 0.00 0.00 64.86 62.89 2pze h ILE 507 Cb 1.63 1.50 0.01 0.00 -3.07 0.00 0.00 36.82 36.89 2pze h ILE 507 CO 0.11 0.28 -0.89 0.33 -0.69 0.00 0.00 178.15 177.30 2pze n PHE 508 N -4.67 -1.79 -0.62 1.37 7.35 -0.34 -2.26 117.46 116.50 2pze n PHE 508 Ca -0.05 0.70 0.00 0.00 -0.76 0.00 0.00 57.45 57.34 2pze n PHE 508 Cb 0.25 -3.84 0.00 0.00 0.35 0.00 0.00 39.48 36.24 2pze n PHE 508 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2pze n GLY 509 N -1.79 1.04 3.92 7.13 0.00 -1.26 -5.05 105.19 109.18 2pze n GLY 509 Ca -0.25 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.50 2pze n GLY 509 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pze s VAL 510 N -3.35 3.08 0.57 1.61 1.01 -0.96 -5.05 120.40 117.31 2pze s VAL 510 Ca 0.00 -0.05 -0.18 0.00 0.00 0.00 0.00 61.98 61.75 2pze s VAL 510 Cb 0.00 -3.27 -0.04 0.00 0.00 0.00 0.00 36.38 33.06 2pze s VAL 510 CO 0.00 -0.30 1.13 -0.94 0.00 0.00 0.00 175.10 175.00 2pze s SER 511 N -4.40 5.52 0.01 3.32 1.04 -1.26 -5.00 113.70 112.94 2pze s SER 511 Ca 0.57 2.16 -0.24 0.00 0.48 0.00 0.00 55.95 58.92 2pze s SER 511 Cb -0.11 -2.58 -0.05 0.00 0.10 0.00 0.00 66.02 63.39 2pze s SER 511 CO 0.46 -1.35 0.73 -0.47 0.98 0.00 0.00 173.24 173.59 2pze s TYR 512 N -1.88 3.69 -0.21 5.02 5.04 -1.26 -5.04 117.35 122.71 2pze s TYR 512 Ca 0.72 1.39 -0.04 0.00 -2.44 0.00 0.00 57.07 56.70 2pze s TYR 512 Cb -0.24 -2.79 0.07 0.00 0.35 0.00 0.00 41.96 39.35 2pze s TYR 512 CO 0.31 0.24 0.10 0.34 -1.34 0.00 0.00 175.55 175.19 2pze s ASP 513 N 0.15 2.80 0.20 4.32 -1.08 -1.26 -5.05 116.67 116.75 2pze s ASP 513 Ca 0.38 -0.86 -0.09 0.00 -0.52 0.00 0.00 52.55 51.46 2pze s ASP 513 Cb -0.20 -0.33 0.11 0.00 -1.46 0.00 0.00 42.92 41.05 2pze s ASP 513 CO 0.21 -0.37 1.72 -0.08 0.52 0.00 0.00 175.17 177.17 2pze h GLU 514 N 8.39 1.11 0.09 4.34 4.57 -1.98 0.18 114.58 131.28 2pze h GLU 514 Ca -0.17 -0.26 0.00 0.00 -1.18 0.00 0.00 59.36 57.76 2pze h GLU 514 Cb 1.10 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 29.53 2pze h GLU 514 CO 0.34 0.98 -0.08 -0.92 -1.18 0.00 0.00 179.01 178.15 2pze h TYR 515 N 1.05 -0.22 -0.24 0.92 3.20 -1.99 -1.07 116.97 118.63 2pze h TYR 515 Ca 0.22 0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.11 2pze h TYR 515 Cb 0.35 0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.68 2pze h TYR 515 CO 0.03 -0.13 0.11 -0.09 -1.64 0.00 0.00 178.16 176.43 2pze h ARG 516 N -0.19 0.23 -0.12 1.82 2.43 -1.84 -1.24 114.38 115.46 2pze h ARG 516 Ca 0.00 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.19 2pze h ARG 516 Cb 0.18 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.65 2pze h ARG 516 CO -0.02 0.15 -0.06 -0.92 -1.51 0.00 0.00 179.97 177.61 2pze h TYR 517 N 0.24 -0.14 -0.66 2.20 3.20 -0.54 -1.20 116.97 120.06 2pze h TYR 517 Ca 0.10 0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.04 2pze h TYR 517 Cb 0.04 0.08 -0.05 0.00 1.54 0.00 0.00 36.73 38.34 2pze h TYR 517 CO -0.10 -0.10 0.37 0.00 -1.64 0.00 0.00 178.16 176.69 2pze h ARG 518 N -0.05 0.67 -0.78 1.82 2.47 -1.07 -0.70 114.38 116.74 2pze h ARG 518 Ca 0.07 -0.04 -0.03 0.00 -1.26 0.00 0.00 59.98 58.72 2pze h ARG 518 Cb 0.15 -0.15 -0.04 0.00 -1.65 0.00 0.00 29.97 28.29 2pze h ARG 518 CO -0.16 0.44 0.35 0.77 0.56 0.00 0.00 179.97 181.94 2pze h SER 519 N 0.69 1.02 -0.08 7.04 0.02 -0.75 -1.86 113.55 119.63 2pze h SER 519 Ca 0.29 -0.13 -0.08 0.00 -0.84 0.00 0.00 61.79 61.03 2pze h SER 519 Cb 0.16 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.44 2pze h SER 519 CO -0.17 0.88 -0.27 0.58 -1.14 0.00 0.00 176.83 176.71 2pze h VAL 520 N 1.11 1.41 -0.38 2.27 2.07 -0.91 -1.43 116.25 120.40 2pze h VAL 520 Ca 0.27 -1.63 -0.01 0.00 0.82 0.00 0.00 66.70 66.15 2pze h VAL 520 Cb 0.14 2.24 -0.02 0.00 -1.52 0.00 0.00 31.29 32.13 2pze h VAL 520 CO -0.03 0.47 0.18 0.16 0.02 0.00 0.00 177.57 178.37 2pze h ILE 521 N -0.15 1.13 -0.08 4.57 3.07 -1.05 -1.00 117.51 124.00 2pze h ILE 521 Ca -0.01 -0.37 -0.04 0.00 1.55 0.00 0.00 64.86 65.99 2pze h ILE 521 Cb 0.89 0.64 -0.00 0.00 -0.27 0.00 0.00 36.82 38.09 2pze h ILE 521 CO 0.06 0.15 -0.10 0.11 -1.05 0.00 0.00 178.15 177.31 2pze h LYS 522 N 0.53 0.22 -0.15 0.16 6.56 -1.30 0.76 116.57 123.35 2pze h LYS 522 Ca 0.14 -0.12 -0.04 0.00 -1.06 0.00 0.00 60.65 59.57 2pze h LYS 522 Cb 0.06 0.01 -0.01 0.00 -0.57 0.00 0.00 32.23 31.71 2pze h LYS 522 CO -0.02 0.67 -0.07 0.00 -2.06 0.00 0.00 179.45 177.97 2pze h ALA 523 N 0.54 1.60 -0.45 3.86 0.00 -1.06 -2.26 119.26 121.50 2pze h ALA 523 Ca 0.01 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2pze h ALA 523 Cb 0.64 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2pze h ALA 523 CO 0.02 0.29 0.00 0.00 0.00 0.00 0.00 179.25 179.57 2pze n GLN 525 N 0.86 -6.33 0.00 0.00 1.13 -0.85 -4.89 117.38 107.29 2pze n GLN 525 Ca 0.16 0.80 0.04 0.00 -1.94 0.00 0.00 57.00 56.06 2pze n GLN 525 Cb 0.40 -5.67 0.00 0.00 0.11 0.00 0.00 30.24 25.08 2pze n GLN 525 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 2pze n LEU 526 N -4.00 1.22 0.06 1.08 4.77 0.23 -4.74 117.00 115.62 2pze n LEU 526 Ca -0.25 -0.80 -0.11 0.00 -0.03 0.00 0.00 56.01 54.82 2pze n LEU 526 Cb 0.65 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.69 2pze n LEU 526 CO 0.58 0.25 0.79 -0.33 -1.33 0.00 0.00 177.39 177.35 2pze h GLU 527 N 1.10 -0.19 -0.09 3.23 5.08 -1.88 -1.71 114.58 120.12 2pze h GLU 527 Ca 0.00 0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.29 2pze h GLU 527 Cb 0.31 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 2pze h GLU 527 CO 0.00 -0.13 -0.31 0.93 -1.00 0.00 0.00 179.01 178.50 2pze h GLU 528 N -0.19 0.18 -0.07 2.33 5.08 -1.93 -1.15 114.58 118.82 2pze h GLU 528 Ca 0.04 -0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 58.27 2pze h GLU 528 Cb 0.24 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.48 2pze h GLU 528 CO -0.10 0.48 -0.18 -0.44 -1.00 0.00 0.00 179.01 177.77 2pze h ASP 529 N 0.16 0.29 -0.04 1.42 3.32 -1.80 -3.10 116.42 116.67 2pze h ASP 529 Ca 0.02 -0.59 -0.00 0.00 0.02 0.00 0.00 57.03 56.48 2pze h ASP 529 Cb 0.64 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 40.10 2pze h ASP 529 CO 0.05 0.82 0.01 0.40 -1.72 0.00 0.00 179.24 178.80 2pze h ILE 530 N -0.23 1.14 0.00 0.35 2.04 -1.28 -3.06 117.51 116.47 2pze h ILE 530 Ca -0.00 -0.41 0.00 0.00 1.00 0.00 0.00 64.86 65.45 2pze h ILE 530 Cb 0.78 1.35 0.00 0.00 -0.74 0.00 0.00 36.82 38.21 2pze h ILE 530 CO 0.04 0.11 0.00 -1.54 0.00 0.00 0.00 178.15 176.76 2pze n SER 531 N -4.98 0.00 -0.04 1.72 3.41 -0.44 -3.23 113.62 110.06 2pze n SER 531 Ca -0.07 -0.35 -0.14 0.00 -0.26 0.00 0.00 58.87 58.06 2pze n SER 531 Cb 0.11 -0.03 -0.09 0.00 -0.26 0.00 0.00 64.21 63.94 2pze n SER 531 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 2pze h LYS 532 N 0.00 0.23 -6.66 4.33 6.56 -1.45 -3.46 116.57 116.12 2pze h LYS 532 Ca 0.00 -0.15 -0.51 0.00 -1.06 0.00 0.00 60.65 58.93 2pze h LYS 532 Cb 0.01 0.02 -0.00 0.00 -0.57 0.00 0.00 32.23 31.69 2pze h LYS 532 CO 0.00 0.75 -0.01 -0.59 -2.06 0.00 0.00 179.45 177.54 2pze s PHE 533 N -3.90 3.47 0.39 -1.35 -0.00 -1.20 -4.99 117.98 110.41 2pze s PHE 533 Ca -0.15 0.86 0.10 0.00 -0.00 0.00 0.00 56.93 57.74 2pze s PHE 533 Cb 0.03 -2.29 0.81 0.00 -0.00 0.00 0.00 43.02 41.58 2pze s PHE 533 CO 0.73 0.04 1.93 0.00 -0.00 0.00 0.00 175.22 177.93 2pze h ALA 534 N 1.54 1.54 -0.07 1.99 0.00 -1.89 -2.27 119.26 120.10 2pze h ALA 534 Ca -0.47 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.25 2pze h ALA 534 Cb 1.19 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2pze h ALA 534 CO 0.65 0.33 0.00 -0.85 0.00 0.00 0.00 179.25 179.38 2pze n GLU 535 N -4.29 1.21 0.00 0.00 -0.00 -1.26 -4.98 120.64 111.32 2pze n GLU 535 Ca -0.01 -0.32 0.00 0.00 -0.00 0.00 0.00 57.16 56.83 2pze n GLU 535 Cb 0.25 -1.21 0.00 0.00 -0.00 0.00 0.00 31.44 30.49 2pze n GLU 535 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2pze n LYS 536 N -0.36 0.00 -0.57 3.44 4.76 -0.86 -0.37 118.16 124.20 2pze n LYS 536 Ca 0.09 0.00 0.03 0.00 -2.87 0.00 0.00 58.31 55.56 2pze n LYS 536 Cb 0.11 0.00 0.24 0.00 -1.84 0.00 0.00 35.03 33.55 2pze n LYS 536 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 2pze n ASP 537 N 1.96 3.93 -1.14 4.39 5.68 -1.26 -4.17 116.55 125.94 2pze n ASP 537 Ca 0.00 -2.61 0.11 0.00 -0.50 0.00 0.00 54.79 51.79 2pze n ASP 537 Cb 0.00 -0.62 0.25 0.00 -1.14 0.00 0.00 41.12 39.60 2pze n ASP 537 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 2pze n ASN 538 N 0.33 3.55 -4.71 -1.12 5.03 0.50 -2.40 115.26 116.43 2pze n ASN 538 Ca 0.19 -1.97 -0.40 0.00 0.87 0.00 0.00 54.58 53.26 2pze n ASN 538 Cb 0.87 -0.34 -0.05 0.00 -1.02 0.00 0.00 39.78 39.24 2pze n ASN 538 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.26 174.92 2pze s ILE 539 N -1.17 5.04 0.13 2.41 -1.16 -1.24 -4.84 121.20 120.36 2pze s ILE 539 Ca 0.40 1.42 -0.31 0.00 -0.51 0.00 0.00 60.65 61.65 2pze s ILE 539 Cb 0.22 -4.03 -0.09 0.00 0.61 0.00 0.00 42.46 39.17 2pze s ILE 539 CO 0.29 0.23 1.47 -0.69 -2.81 0.00 0.00 174.94 173.43 2pze s VAL 540 N 0.95 3.06 0.06 4.00 1.01 -1.26 -3.79 120.40 124.42 2pze s VAL 540 Ca 0.37 0.74 0.01 0.00 0.00 0.00 0.00 61.98 63.09 2pze s VAL 540 Cb -0.17 -3.48 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 2pze s VAL 540 CO 0.17 0.05 0.17 -0.76 0.00 0.00 0.00 175.10 174.74 2pze s LEU 541 N 1.23 4.21 0.57 3.92 1.43 0.17 -4.91 118.68 125.29 2pze s LEU 541 Ca 0.67 0.20 -0.04 0.00 -1.03 0.00 0.00 54.13 53.93 2pze s LEU 541 Cb -0.39 -2.81 0.02 0.00 0.03 0.00 0.00 46.19 43.03 2pze s LEU 541 CO 0.31 0.18 0.85 -0.83 0.23 0.00 0.00 176.35 177.08 2pze s GLY 542 N -2.44 1.63 0.33 -3.19 0.00 -1.26 -1.10 107.32 101.28 2pze s GLY 542 Ca 0.33 -0.89 -0.28 0.00 0.00 0.00 0.00 44.72 43.88 2pze s GLY 542 CO 0.26 -0.62 1.26 -2.21 0.00 0.00 0.00 173.10 171.79 2pze n GLU 543 N -2.48 2.02 0.00 2.90 2.13 -1.26 -1.15 120.64 122.80 2pze n GLU 543 Ca 0.05 0.71 0.00 0.00 0.66 0.00 0.00 57.16 58.57 2pze n GLU 543 Cb 0.58 -2.27 0.00 0.00 0.27 0.00 0.00 31.44 30.02 2pze n GLU 543 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2pze n GLY 544 N 0.94 2.96 3.62 8.31 0.00 -0.45 -4.43 105.19 116.15 2pze n GLY 544 Ca 0.06 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.87 2pze n GLY 544 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pze n GLY 545 N -0.88 -0.41 0.25 -0.02 0.00 -0.30 -4.62 105.19 99.20 2pze n GLY 545 Ca 0.00 0.18 0.17 0.00 0.00 0.00 0.00 46.02 46.36 2pze n GLY 545 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 2pze h ILE 546 N -1.82 0.00 -0.00 -0.61 3.07 -1.79 -2.25 117.51 114.10 2pze h ILE 546 Ca -0.61 -0.32 0.00 0.00 1.55 0.00 0.00 64.86 65.48 2pze h ILE 546 Cb 1.35 1.23 0.00 0.00 -0.27 0.00 0.00 36.82 39.13 2pze h ILE 546 CO 0.54 0.00 -0.20 0.35 -1.05 0.00 0.00 178.15 177.78 2pze n THR 547 N -2.84 0.00 -2.54 0.16 -2.24 -1.26 -4.88 114.28 100.68 2pze n THR 547 Ca 0.00 -0.06 -0.27 0.00 -2.27 0.00 0.00 64.05 61.45 2pze n THR 547 Cb 0.23 0.04 0.01 0.00 -2.10 0.00 0.00 70.33 68.50 2pze n THR 547 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2pze s LEU 548 N -2.64 3.53 0.66 3.22 1.43 -0.85 -5.09 118.68 118.95 2pze s LEU 548 Ca 0.23 0.93 -0.12 0.00 -1.03 0.00 0.00 54.13 54.13 2pze s LEU 548 Cb 0.19 -3.87 -0.01 0.00 0.03 0.00 0.00 46.19 42.54 2pze s LEU 548 CO 0.53 -0.68 1.06 -0.94 0.23 0.00 0.00 176.35 176.54 2pze s SER 549 N -4.15 5.55 0.22 2.29 1.04 -1.26 -4.89 113.70 112.49 2pze s SER 549 Ca 0.49 1.66 -0.13 0.00 0.48 0.00 0.00 55.95 58.45 2pze s SER 549 Cb -0.10 -2.50 0.25 0.00 0.10 0.00 0.00 66.02 63.77 2pze s SER 549 CO 0.46 -1.33 1.62 1.23 0.98 0.00 0.00 173.24 176.20 2pze h GLY 550 N -0.36 0.48 1.39 7.32 0.00 -1.96 -1.50 103.07 108.44 2pze h GLY 550 Ca -0.45 0.21 -0.08 0.00 0.00 0.00 0.00 47.33 47.02 2pze h GLY 550 CO 0.57 -0.25 -0.03 -1.33 0.00 0.00 0.00 176.54 175.50 2pze h GLY 551 N 0.00 0.80 1.00 4.60 0.00 -1.94 -1.75 103.07 105.78 2pze h GLY 551 Ca 0.32 -0.55 -0.02 0.00 0.00 0.00 0.00 47.33 47.08 2pze h GLY 551 CO -0.67 0.51 0.31 1.46 0.00 0.00 0.00 176.54 178.14 2pze h GLN 552 N 0.69 0.89 -0.60 4.80 4.20 -1.83 -0.73 115.11 122.53 2pze h GLN 552 Ca 0.13 -0.13 -0.03 0.00 0.06 0.00 0.00 58.65 58.69 2pze h GLN 552 Cb 0.48 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 28.07 2pze h GLN 552 CO 0.02 0.71 0.28 0.00 -0.67 0.00 0.00 178.83 179.17 2pze h ARG 553 N 0.85 0.88 -0.63 1.46 3.08 -1.01 -0.84 114.38 118.17 2pze h ARG 553 Ca 0.21 -0.14 -0.04 0.00 0.07 0.00 0.00 59.98 60.08 2pze h ARG 553 Cb 0.10 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 29.97 2pze h ARG 553 CO -0.03 0.72 0.22 0.00 -1.07 0.00 0.00 179.97 179.82 2pze h ALA 554 N 1.11 0.82 -0.13 0.04 0.00 -1.12 -1.75 119.26 118.24 2pze h ALA 554 Ca 0.21 -0.19 -0.17 0.00 0.00 0.00 0.00 54.91 54.75 2pze h ALA 554 Cb 0.14 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2pze h ALA 554 CO -0.02 0.47 -0.63 0.00 0.00 0.00 0.00 179.25 179.07 2pze h ARG 555 N 0.89 0.48 -0.40 0.00 3.08 -0.87 -1.62 114.38 115.94 2pze h ARG 555 Ca 0.21 -0.34 -0.08 0.00 0.07 0.00 0.00 59.98 59.83 2pze h ARG 555 Cb 0.25 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 2pze h ARG 555 CO -0.01 0.96 -0.08 0.82 -1.07 0.00 0.00 179.97 180.59 2pze h ILE 556 N 0.35 1.27 -0.51 2.04 2.04 -1.04 0.13 117.51 121.79 2pze h ILE 556 Ca -0.01 -1.15 0.02 0.00 1.00 0.00 0.00 64.86 64.71 2pze h ILE 556 Cb 1.18 1.19 -0.03 0.00 -0.74 0.00 0.00 36.82 38.42 2pze h ILE 556 CO 0.11 0.39 0.32 0.28 0.00 0.00 0.00 178.15 179.25 2pze h SER 557 N 0.58 0.54 -0.60 1.72 0.02 -1.20 -0.77 113.55 113.84 2pze h SER 557 Ca 0.11 -0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.02 2pze h SER 557 Cb 0.59 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.98 2pze h SER 557 CO 0.04 0.38 0.25 0.25 -1.14 0.00 0.00 176.83 176.61 2pze h LEU 558 N 0.65 0.81 -0.71 5.07 5.85 -1.16 -2.82 115.31 123.00 2pze h LEU 558 Ca 0.20 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 2pze h LEU 558 Cb -0.02 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.76 2pze h LEU 558 CO -0.07 0.75 0.40 0.00 -0.34 0.00 0.00 178.44 179.17 2pze h ALA 559 N 1.10 0.90 -0.43 1.25 0.00 -0.71 -0.22 119.26 121.15 2pze h ALA 559 Ca 0.20 -0.10 0.07 0.00 0.00 0.00 0.00 54.91 55.07 2pze h ALA 559 Cb 0.18 -0.28 -0.06 0.00 0.00 0.00 0.00 17.79 17.63 2pze h ALA 559 CO -0.02 0.40 0.09 -0.09 0.00 0.00 0.00 179.25 179.63 2pze h ARG 560 N 0.97 0.21 -0.40 0.00 2.43 -1.04 0.64 114.38 117.20 2pze h ARG 560 Ca 0.25 -0.01 -0.13 0.00 -0.81 0.00 0.00 59.98 59.28 2pze h ARG 560 Cb 0.02 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 2pze h ARG 560 CO -0.04 0.14 -0.27 0.00 -1.51 0.00 0.00 179.97 178.29 2pze h ALA 561 N 1.32 0.77 0.00 2.80 0.00 -1.13 -3.00 119.26 120.03 2pze h ALA 561 Ca 0.21 -0.40 -0.12 0.00 0.00 0.00 0.00 54.91 54.60 2pze h ALA 561 Cb 0.25 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2pze h ALA 561 CO -0.27 0.65 -0.56 0.28 0.00 0.00 0.00 179.25 179.36 2pze h VAL 562 N 0.71 1.20 -0.16 0.00 2.07 -0.82 -3.23 116.25 116.01 2pze h VAL 562 Ca 0.09 -2.04 -0.15 0.00 0.82 0.00 0.00 66.70 65.41 2pze h VAL 562 Cb 0.82 2.17 -0.01 0.00 -1.52 0.00 0.00 31.29 32.75 2pze h VAL 562 CO 0.07 0.54 -0.55 0.22 0.02 0.00 0.00 177.57 177.88 2pze h TYR 563 N 0.00 0.60 -3.07 1.57 3.20 -0.74 -3.44 116.97 115.10 2pze h TYR 563 Ca -0.01 -0.21 -0.56 0.00 3.14 0.00 0.00 58.73 61.09 2pze h TYR 563 Cb 1.12 -0.11 0.09 0.00 1.54 0.00 0.00 36.73 39.37 2pze h TYR 563 CO 0.00 0.92 0.70 1.17 -1.64 0.00 0.00 178.16 179.31 2pze n LYS 564 N -3.95 2.33 -2.87 1.82 4.81 -1.16 -4.92 118.16 114.22 2pze n LYS 564 Ca -0.03 0.83 -0.43 0.00 -0.87 0.00 0.00 58.31 57.81 2pze n LYS 564 Cb 0.60 -2.52 -0.04 0.00 0.02 0.00 0.00 35.03 33.09 2pze n LYS 564 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 2pze s ASP 565 N 0.24 6.19 0.28 3.14 3.68 -1.26 -5.00 116.67 123.95 2pze s ASP 565 Ca 0.64 -0.95 0.05 0.00 2.13 0.00 0.00 52.55 54.41 2pze s ASP 565 Cb -0.57 -2.41 -0.06 0.00 -1.45 0.00 0.00 42.92 38.43 2pze s ASP 565 CO 0.52 -1.40 0.00 0.00 0.13 0.00 0.00 175.17 174.43 2pze s ALA 566 N 3.96 2.20 -0.21 3.66 0.00 -1.26 -4.99 121.76 125.12 2pze s ALA 566 Ca 0.22 -1.93 0.22 0.00 0.00 0.00 0.00 51.96 50.48 2pze s ALA 566 Cb -0.17 0.47 -0.13 0.00 0.00 0.00 0.00 23.12 23.29 2pze s ALA 566 CO 0.11 -0.22 0.82 -0.25 0.00 0.00 0.00 175.76 176.22 2pze n ASP 567 N -0.58 0.49 -3.68 0.00 8.00 0.37 -4.89 116.55 116.26 2pze n ASP 567 Ca -0.04 0.12 -0.14 0.00 0.71 0.00 0.00 54.79 55.44 2pze n ASP 567 Cb 0.65 1.10 -0.14 0.00 -0.02 0.00 0.00 41.12 42.71 2pze n ASP 567 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2pze s LEU 568 N -4.84 -0.08 -0.25 0.64 2.96 -0.75 -3.90 118.68 112.47 2pze s LEU 568 Ca -0.03 0.48 -0.09 0.00 -0.22 0.00 0.00 54.13 54.27 2pze s LEU 568 Cb 0.12 0.54 -0.04 0.00 0.50 0.00 0.00 46.19 47.31 2pze s LEU 568 CO 0.84 -0.23 0.11 -0.31 -1.32 0.00 0.00 176.35 175.44 2pze s TYR 569 N 2.16 3.15 -0.42 5.38 1.51 0.30 -1.26 117.35 128.17 2pze s TYR 569 Ca -0.00 -0.18 -0.08 0.00 -1.01 0.00 0.00 57.07 55.80 2pze s TYR 569 Cb -0.12 -2.27 0.09 0.00 -0.11 0.00 0.00 41.96 39.55 2pze s TYR 569 CO -0.07 -0.23 0.25 -0.51 -1.11 0.00 0.00 175.55 173.88 2pze s LEU 570 N 1.52 5.20 -0.43 -1.29 1.43 0.59 -0.60 118.68 125.09 2pze s LEU 570 Ca 0.06 -1.65 -0.08 0.00 -1.03 0.00 0.00 54.13 51.43 2pze s LEU 570 Cb -0.15 -1.95 0.10 0.00 0.03 0.00 0.00 46.19 44.22 2pze s LEU 570 CO 0.06 -0.55 0.27 -0.76 0.23 0.00 0.00 176.35 175.60 2pze s LEU 571 N 1.36 5.33 -0.85 1.79 1.43 0.06 -0.46 118.68 127.35 2pze s LEU 571 Ca 0.04 -1.74 -0.16 0.00 -1.03 0.00 0.00 54.13 51.23 2pze s LEU 571 Cb -0.23 -1.96 0.17 0.00 0.03 0.00 0.00 46.19 44.20 2pze s LEU 571 CO 0.00 -0.59 0.90 -0.62 0.23 0.00 0.00 176.35 176.28 2pze s ASP 572 N 2.25 6.66 -1.18 2.29 -1.08 -0.05 -1.04 116.67 124.52 2pze s ASP 572 Ca 0.05 -2.32 -0.11 0.00 -0.52 0.00 0.00 52.55 49.65 2pze s ASP 572 Cb -0.24 -2.29 -0.02 0.00 -1.46 0.00 0.00 42.92 38.91 2pze s ASP 572 CO -0.00 -0.82 0.78 -0.24 0.52 0.00 0.00 175.17 175.41 2pze n SER 573 N 5.21 -4.20 0.00 -0.34 2.88 -1.06 -3.76 113.62 112.35 2pze n SER 573 Ca 0.16 -0.89 0.09 0.00 -1.33 0.00 0.00 58.87 56.89 2pze n SER 573 Cb 0.47 -3.96 0.40 0.00 -0.75 0.00 0.00 64.21 60.37 2pze n SER 573 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2pze n PRO 574 N -4.01 0.00 -0.10 -1.46 -0.04 -1.26 -3.23 135.00 124.90 2pze n PRO 574 Ca -0.16 0.18 0.09 0.00 -0.04 0.00 0.00 63.50 63.58 2pze n PRO 574 Cb 0.63 -1.50 0.14 0.00 -0.04 0.00 0.00 33.50 32.72 2pze n PRO 574 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2pze n PHE 575 N -1.51 0.26 -0.27 0.54 3.72 -1.26 -4.68 117.46 114.27 2pze n PHE 575 Ca 0.04 -0.17 0.08 0.00 -0.05 0.00 0.00 57.45 57.35 2pze n PHE 575 Cb 0.22 -0.00 0.22 0.00 -0.94 0.00 0.00 39.48 38.97 2pze n PHE 575 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 2pze h GLY 576 N 3.47 1.22 -2.59 1.37 0.00 -1.94 -2.17 103.07 102.43 2pze h GLY 576 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.21 2pze h GLY 576 CO 0.00 -0.18 0.00 -1.72 0.00 0.00 0.00 176.54 174.64 2pze n TYR 577 N -5.06 1.07 -3.95 5.60 4.01 -1.26 -4.94 117.16 112.63 2pze n TYR 577 Ca 0.16 -0.48 -0.32 0.00 -0.16 0.00 0.00 57.90 57.11 2pze n TYR 577 Cb 0.50 -0.09 -0.05 0.00 -0.31 0.00 0.00 39.34 39.38 2pze n TYR 577 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2pze s LEU 578 N -1.29 4.23 0.77 7.72 1.43 -0.82 -4.15 118.68 126.57 2pze s LEU 578 Ca 0.45 0.23 -0.12 0.00 -1.03 0.00 0.00 54.13 53.66 2pze s LEU 578 Cb 0.26 -2.73 0.06 0.00 0.03 0.00 0.00 46.19 43.80 2pze s LEU 578 CO 0.27 0.20 1.11 1.51 0.23 0.00 0.00 176.35 179.68 2pze s ASP 579 N -2.27 4.35 0.52 2.29 1.47 -1.26 -4.80 116.67 116.97 2pze s ASP 579 Ca 0.31 1.97 0.25 0.00 1.18 0.00 0.00 52.55 56.26 2pze s ASP 579 Cb -0.13 -2.54 1.45 0.00 -0.34 0.00 0.00 42.92 41.36 2pze s ASP 579 CO 0.23 -2.14 2.11 -0.37 0.68 0.00 0.00 175.17 175.68 2pze h VAL 580 N -0.92 0.70 0.03 2.11 -1.51 -1.99 -1.03 116.25 113.65 2pze h VAL 580 Ca -0.45 -0.37 -0.22 0.00 -1.23 0.00 0.00 66.70 64.43 2pze h VAL 580 Cb 1.25 1.23 0.02 0.00 -2.13 0.00 0.00 31.29 31.65 2pze h VAL 580 CO 0.50 0.09 -0.88 -0.07 -1.23 0.00 0.00 177.57 175.99 2pze h LEU 581 N 0.00 0.72 -0.39 4.19 4.07 -1.99 -2.37 115.31 119.54 2pze h LEU 581 Ca -0.00 -0.77 -0.05 0.00 0.08 0.00 0.00 57.88 57.14 2pze h LEU 581 Cb 0.22 -0.22 -0.02 0.00 1.08 0.00 0.00 40.66 41.72 2pze h LEU 581 CO 0.01 1.41 0.05 0.74 -1.08 0.00 0.00 178.44 179.58 2pze h THR 582 N 0.12 1.24 -0.40 0.22 2.02 -1.83 -2.28 112.91 112.00 2pze h THR 582 Ca -0.12 -0.88 0.05 0.00 0.77 0.00 0.00 66.41 66.23 2pze h THR 582 Cb 1.57 1.06 -0.04 0.00 -1.74 0.00 0.00 68.15 69.00 2pze h THR 582 CO 0.17 0.30 0.15 -0.08 0.37 0.00 0.00 175.52 176.43 2pze h GLU 583 N 0.49 0.31 -0.42 6.66 4.81 -1.28 -1.60 114.58 123.56 2pze h GLU 583 Ca 0.12 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.36 2pze h GLU 583 Cb 0.38 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.66 2pze h GLU 583 CO 0.01 0.20 0.21 -0.22 -0.73 0.00 0.00 179.01 178.48 2pze h LYS 584 N 0.32 0.40 -0.63 1.92 1.63 -1.32 -0.88 116.57 118.02 2pze h LYS 584 Ca 0.18 -0.02 -0.06 0.00 -0.85 0.00 0.00 60.65 59.90 2pze h LYS 584 Cb 0.15 -0.09 -0.03 0.00 -0.60 0.00 0.00 32.23 31.67 2pze h LYS 584 CO -0.18 0.27 0.15 0.93 -3.45 0.00 0.00 179.45 177.17 2pze h GLU 585 N 0.42 1.01 -0.22 1.90 5.08 -1.05 -2.14 114.58 119.57 2pze h GLU 585 Ca 0.18 -0.24 -0.20 0.00 -1.00 0.00 0.00 59.36 58.09 2pze h GLU 585 Cb 0.09 -0.13 0.01 0.00 0.50 0.00 0.00 28.75 29.21 2pze h GLU 585 CO -0.13 0.91 -0.66 0.82 -1.00 0.00 0.00 179.01 178.96 2pze h ILE 586 N 0.92 1.27 -0.96 3.13 2.04 -1.21 -0.52 117.51 122.18 2pze h ILE 586 Ca 0.20 -1.84 0.02 0.00 1.00 0.00 0.00 64.86 64.23 2pze h ILE 586 Cb 0.36 1.80 -0.05 0.00 -0.74 0.00 0.00 36.82 38.19 2pze h ILE 586 CO 0.00 0.59 0.63 0.15 0.00 0.00 0.00 178.15 179.53 2pze h PHE 587 N 0.61 1.20 0.12 1.37 3.04 -1.05 0.20 116.94 122.43 2pze h PHE 587 Ca -0.02 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 61.95 2pze h PHE 587 Cb 1.28 -0.40 0.00 0.00 2.56 0.00 0.00 35.95 39.39 2pze h PHE 587 CO 0.08 0.73 -0.06 0.93 -2.02 0.00 0.00 178.31 177.97 2pze h GLU 588 N 1.27 -0.16 -0.14 1.11 5.08 -1.33 -1.35 114.58 119.07 2pze h GLU 588 Ca 0.36 0.01 -0.20 0.00 -1.00 0.00 0.00 59.36 58.53 2pze h GLU 588 Cb -0.09 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.20 2pze h GLU 588 CO -0.09 0.32 -0.73 0.77 -1.00 0.00 0.00 179.01 178.28 2pze h SER 589 N -0.81 0.76 0.00 1.42 0.02 -1.03 -2.43 113.55 111.48 2pze h SER 589 Ca -0.02 -0.49 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 2pze h SER 589 Cb 0.55 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.87 2pze h SER 589 CO 0.03 1.26 -0.11 0.00 -1.14 0.00 0.00 176.83 176.87 2pze h VAL 591 N -0.16 1.25 0.01 0.00 2.07 -1.39 -1.41 116.25 116.62 2pze h VAL 591 Ca 0.00 -0.88 -0.28 0.00 0.82 0.00 0.00 66.70 66.36 2pze h VAL 591 Cb 0.11 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 30.43 2pze h VAL 591 CO 0.00 0.34 -1.56 0.00 0.02 0.00 0.00 177.57 176.37 2pze n LYS 593 N -3.14 0.05 -0.31 0.00 5.02 -0.92 -4.03 118.16 114.82 2pze n LYS 593 Ca -0.14 0.02 0.06 0.00 -2.02 0.00 0.00 58.31 56.23 2pze n LYS 593 Cb 1.03 -0.46 0.26 0.00 -0.02 0.00 0.00 35.03 35.84 2pze n LYS 593 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 2pze h LEU 594 N -0.09 0.88 -3.47 -0.35 5.85 -0.98 -2.11 115.31 115.05 2pze h LEU 594 Ca 0.00 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.74 2pze h LEU 594 Cb 0.09 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 40.96 2pze h LEU 594 CO 0.00 0.53 0.00 0.23 -0.34 0.00 0.00 178.44 178.86 2pze n MET 595 N -4.53 4.74 -0.24 1.25 2.81 -0.55 -4.72 117.12 115.89 2pze n MET 595 Ca 0.15 -3.07 0.17 0.00 -1.81 0.00 0.00 57.70 53.14 2pze n MET 595 Cb 0.27 -2.23 0.48 0.00 -0.71 0.00 0.00 33.22 31.03 2pze n MET 595 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2pze h ALA 596 N 3.99 2.11 -0.61 3.04 0.00 -1.52 -1.11 119.26 125.16 2pze h ALA 596 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2pze h ALA 596 Cb 1.91 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.65 2pze h ALA 596 CO 0.46 -0.38 0.00 0.09 0.00 0.00 0.00 179.25 179.43 2pze n ASN 597 N -4.53 4.34 -4.91 0.00 5.03 -1.26 -4.85 115.26 109.09 2pze n ASN 597 Ca 0.18 -2.34 -0.32 0.00 0.87 0.00 0.00 54.58 52.97 2pze n ASN 597 Cb 0.63 -0.52 -0.04 0.00 -1.02 0.00 0.00 39.78 38.83 2pze n ASN 597 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 2pze s LYS 598 N -1.64 3.47 -0.11 3.52 -0.14 -0.42 -4.33 119.74 120.08 2pze s LYS 598 Ca 0.47 -0.33 -0.30 0.00 -1.36 0.00 0.00 55.97 54.46 2pze s LYS 598 Cb 0.29 -3.05 -0.02 0.00 -1.68 0.00 0.00 37.83 33.38 2pze s LYS 598 CO 0.24 0.62 1.10 0.99 -0.76 0.00 0.00 175.35 177.55 2pze s THR 599 N -1.44 4.54 -0.02 2.17 2.01 -1.25 -4.10 115.64 117.56 2pze s THR 599 Ca 0.32 1.84 0.02 0.00 0.31 0.00 0.00 61.69 64.18 2pze s THR 599 Cb -0.13 -4.18 0.00 0.00 0.01 0.00 0.00 72.50 68.20 2pze s THR 599 CO 0.23 -0.03 -0.07 -0.13 -0.69 0.00 0.00 174.62 173.92 2pze s ARG 600 N 2.35 0.72 -0.21 4.92 0.52 -0.53 -0.53 118.95 126.18 2pze s ARG 600 Ca 0.51 -0.26 -0.01 0.00 -0.52 0.00 0.00 55.73 55.45 2pze s ARG 600 Cb -0.20 -0.69 0.01 0.00 0.52 0.00 0.00 34.95 34.58 2pze s ARG 600 CO 0.18 0.12 -0.11 0.42 0.02 0.00 0.00 175.30 175.93 2pze s ILE 601 N 0.05 2.74 -0.21 1.52 1.01 0.23 -1.15 121.20 125.39 2pze s ILE 601 Ca -0.00 -0.78 -0.04 0.00 0.00 0.00 0.00 60.65 59.83 2pze s ILE 601 Cb -0.06 -2.25 -0.01 0.00 0.01 0.00 0.00 42.46 40.16 2pze s ILE 601 CO -0.00 0.43 -0.05 -0.22 0.00 0.00 0.00 174.94 175.09 2pze s LEU 602 N 1.37 2.87 -0.33 2.97 2.96 -0.45 -0.76 118.68 127.32 2pze s LEU 602 Ca 0.04 -0.39 -0.26 0.00 -0.22 0.00 0.00 54.13 53.30 2pze s LEU 602 Cb -0.14 -1.73 0.01 0.00 0.50 0.00 0.00 46.19 44.83 2pze s LEU 602 CO -0.07 -0.00 0.95 -0.69 -1.32 0.00 0.00 176.35 175.21 2pze s VAL 603 N 1.38 4.62 -0.21 1.68 1.01 -0.21 -0.65 120.40 128.02 2pze s VAL 603 Ca 0.05 1.42 -0.27 0.00 0.00 0.00 0.00 61.98 63.17 2pze s VAL 603 Cb -0.14 -4.31 0.10 0.00 0.00 0.00 0.00 36.38 32.03 2pze s VAL 603 CO -0.03 -0.42 0.88 0.28 0.00 0.00 0.00 175.10 175.81 2pze s THR 604 N 3.39 0.00 -0.81 3.92 -1.32 -0.07 -2.57 115.64 118.17 2pze s THR 604 Ca 0.39 0.00 0.07 0.00 -1.21 0.00 0.00 61.69 60.95 2pze s THR 604 Cb -0.13 -1.00 0.12 0.00 -1.51 0.00 0.00 72.50 69.99 2pze s THR 604 CO 0.15 0.00 0.93 -1.20 -2.21 0.00 0.00 174.62 172.29 2pze n SER 605 N 1.78 2.06 -4.70 8.08 7.64 -1.26 -3.62 113.62 123.61 2pze n SER 605 Ca -0.14 -1.61 -0.42 0.00 1.01 0.00 0.00 58.87 57.71 2pze n SER 605 Cb 0.56 -0.07 -0.03 0.00 -1.01 0.00 0.00 64.21 63.67 2pze n SER 605 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2pze s LYS 606 N -0.79 4.22 0.31 1.43 2.20 -1.26 -4.27 119.74 121.58 2pze s LYS 606 Ca 0.12 2.30 0.04 0.00 -0.36 0.00 0.00 55.97 58.07 2pze s LYS 606 Cb 0.07 -3.43 0.52 0.00 -1.51 0.00 0.00 37.83 33.48 2pze s LYS 606 CO 0.10 -0.66 1.80 1.98 -0.36 0.00 0.00 175.35 178.21 2pze h MET 607 N 7.69 0.48 -0.57 4.03 1.85 -1.96 -1.80 114.93 124.66 2pze h MET 607 Ca -0.42 -0.14 0.00 0.00 -0.61 0.00 0.00 59.70 58.53 2pze h MET 607 Cb 1.20 -0.05 -0.03 0.00 0.43 0.00 0.00 31.60 33.15 2pze h MET 607 CO 0.92 0.61 0.36 0.93 -0.40 0.00 0.00 176.91 179.33 2pze h GLU 608 N 0.44 0.75 -0.14 0.39 3.07 -1.98 -2.10 114.58 115.01 2pze h GLU 608 Ca 0.08 -0.05 -0.20 0.00 -0.50 0.00 0.00 59.36 58.69 2pze h GLU 608 Cb 0.51 -0.17 0.00 0.00 -0.84 0.00 0.00 28.75 28.25 2pze h GLU 608 CO 0.03 0.51 -0.72 0.45 -1.40 0.00 0.00 179.01 177.88 2pze h HIS 609 N 0.77 0.84 -0.47 4.33 3.86 -1.74 -3.18 115.15 119.57 2pze h HIS 609 Ca 0.21 -0.36 -0.02 0.00 -1.16 0.00 0.00 60.37 59.04 2pze h HIS 609 Cb -0.06 -0.14 -0.02 0.00 1.06 0.00 0.00 27.41 28.25 2pze h HIS 609 CO 0.00 1.15 0.22 -0.07 0.86 0.00 0.00 177.93 180.09 2pze h LEU 610 N 0.44 0.59 -0.84 2.43 4.07 -1.08 -2.37 115.31 118.55 2pze h LEU 610 Ca -0.03 -0.05 0.02 0.00 0.08 0.00 0.00 57.88 57.89 2pze h LEU 610 Cb 1.32 -0.15 -0.04 0.00 1.08 0.00 0.00 40.66 42.87 2pze h LEU 610 CO 0.14 0.51 0.55 0.11 -1.08 0.00 0.00 178.44 178.67 2pze h LYS 611 N 0.66 1.08 -0.00 1.13 1.57 -1.37 -2.92 116.57 116.71 2pze h LYS 611 Ca 0.16 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 2pze h LYS 611 Cb 0.08 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.15 2pze h LYS 611 CO -0.02 0.71 -0.19 1.63 -0.57 0.00 0.00 179.45 181.01 2pze n LYS 612 N -4.52 0.25 -2.52 3.15 4.01 -0.93 -4.90 118.16 112.71 2pze n LYS 612 Ca 0.09 -0.09 -0.33 0.00 -0.51 0.00 0.00 58.31 57.47 2pze n LYS 612 Cb 0.04 -1.50 -0.04 0.00 -0.51 0.00 0.00 35.03 33.02 2pze n LYS 612 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2pze s ALA 613 N -2.81 2.93 0.13 7.82 0.00 -0.98 -4.98 121.76 123.87 2pze s ALA 613 Ca 0.19 0.45 -0.07 0.00 0.00 0.00 0.00 51.96 52.52 2pze s ALA 613 Cb 0.19 -3.20 -0.09 0.00 0.00 0.00 0.00 23.12 20.02 2pze s ALA 613 CO 0.56 -0.25 1.32 -0.44 0.00 0.00 0.00 175.76 176.94 2pze h ASP 614 N 1.38 0.68 -5.20 0.00 3.32 -1.41 -3.44 116.42 111.75 2pze h ASP 614 Ca -0.48 -0.49 -0.10 0.00 0.02 0.00 0.00 57.03 55.97 2pze h ASP 614 Cb 1.20 -0.20 -0.14 0.00 0.22 0.00 0.00 39.33 40.41 2pze h ASP 614 CO 0.60 1.28 -0.47 -0.54 -1.72 0.00 0.00 179.24 178.38 2pze s LYS 615 N -3.47 0.79 -0.03 3.56 1.02 -1.04 -4.68 119.74 115.89 2pze s LYS 615 Ca -0.07 -1.06 0.03 0.00 0.02 0.00 0.00 55.97 54.88 2pze s LYS 615 Cb 0.09 0.30 0.00 0.00 -0.52 0.00 0.00 37.83 37.70 2pze s LYS 615 CO 0.88 -0.22 -0.11 0.42 -0.92 0.00 0.00 175.35 175.39 2pze s ILE 616 N -3.89 0.96 -0.13 2.17 1.01 0.95 -0.91 121.20 121.36 2pze s ILE 616 Ca 0.07 -0.45 0.00 0.00 0.00 0.00 0.00 60.65 60.27 2pze s ILE 616 Cb 0.06 -0.84 0.02 0.00 0.01 0.00 0.00 42.46 41.71 2pze s ILE 616 CO -0.10 0.29 -0.12 -0.22 0.00 0.00 0.00 174.94 174.79 2pze s LEU 617 N 0.17 1.53 -0.21 2.97 2.96 0.10 -1.42 118.68 124.78 2pze s LEU 617 Ca -0.04 -0.41 -0.05 0.00 -0.22 0.00 0.00 54.13 53.42 2pze s LEU 617 Cb -0.10 -1.05 -0.02 0.00 0.50 0.00 0.00 46.19 45.53 2pze s LEU 617 CO 0.01 -0.06 -0.02 -0.63 -1.32 0.00 0.00 176.35 174.33 2pze s ILE 618 N 1.46 3.74 0.04 6.68 1.01 0.24 -1.27 121.20 133.11 2pze s ILE 618 Ca 0.03 -0.38 -0.02 0.00 0.00 0.00 0.00 60.65 60.28 2pze s ILE 618 Cb -0.13 -2.69 -0.04 0.00 0.01 0.00 0.00 42.46 39.60 2pze s ILE 618 CO -0.08 0.42 0.23 -0.76 0.00 0.00 0.00 174.94 174.75 2pze s LEU 619 N 1.18 4.35 -0.10 2.97 1.43 -0.35 -0.23 118.68 127.93 2pze s LEU 619 Ca 0.03 0.37 -0.04 0.00 -1.03 0.00 0.00 54.13 53.46 2pze s LEU 619 Cb -0.14 -2.87 0.05 0.00 0.03 0.00 0.00 46.19 43.26 2pze s LEU 619 CO 0.01 0.19 0.20 -2.28 0.23 0.00 0.00 176.35 174.70 2pze s HIS 620 N -1.45 -0.28 -1.53 0.29 2.46 0.34 -4.23 115.29 110.90 2pze s HIS 620 Ca 0.33 0.75 -0.09 0.00 0.47 0.00 0.00 55.06 56.51 2pze s HIS 620 Cb -0.13 -0.15 0.07 0.00 -0.13 0.00 0.00 32.58 32.24 2pze s HIS 620 CO 0.23 -0.30 0.69 0.39 -2.47 0.00 0.00 174.74 173.29 2pze n GLU 621 N 5.23 -3.86 -0.41 2.88 1.02 -1.26 -1.43 120.64 122.81 2pze n GLU 621 Ca -0.07 0.45 0.00 0.00 -0.02 0.00 0.00 57.16 57.52 2pze n GLU 621 Cb 0.50 -4.98 0.00 0.00 -0.02 0.00 0.00 31.44 26.94 2pze n GLU 621 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2pze n GLY 622 N -1.69 1.82 3.69 0.62 0.00 0.44 -4.94 105.19 105.12 2pze n GLY 622 Ca -0.10 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.69 2pze n GLY 622 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2pze s SER 623 N -3.39 4.55 -0.19 1.61 1.04 -0.52 -0.43 113.70 116.38 2pze s SER 623 Ca 0.00 -0.78 -0.27 0.00 0.48 0.00 0.00 55.95 55.38 2pze s SER 623 Cb 0.00 -0.73 -0.00 0.00 0.10 0.00 0.00 66.02 65.39 2pze s SER 623 CO 0.00 -0.20 0.94 -0.55 0.98 0.00 0.00 173.24 174.41 2pze s SER 624 N -3.77 7.05 -0.12 7.02 0.15 -1.26 -0.50 113.70 122.27 2pze s SER 624 Ca 0.35 1.30 -0.03 0.00 0.70 0.00 0.00 55.95 58.27 2pze s SER 624 Cb -0.03 -2.50 -0.25 0.00 -1.71 0.00 0.00 66.02 61.52 2pze s SER 624 CO 0.21 -0.52 0.36 0.00 1.20 0.00 0.00 173.24 174.49 2pze n TYR 625 N 5.67 1.13 -3.76 3.44 4.19 0.68 -4.89 117.16 123.61 2pze n TYR 625 Ca 0.08 0.26 -0.13 0.00 3.31 0.00 0.00 57.90 61.42 2pze n TYR 625 Cb 0.48 -1.15 -0.11 0.00 0.49 0.00 0.00 39.34 39.05 2pze n TYR 625 CO 0.00 0.00 0.00 0.12 0.91 0.00 0.00 176.86 177.89 2pze s PHE 626 N -2.56 -0.35 -0.08 2.98 5.36 -1.02 -4.97 117.98 117.34 2pze s PHE 626 Ca -0.21 0.83 -0.03 0.00 -0.96 0.00 0.00 56.93 56.56 2pze s PHE 626 Cb 0.07 0.12 0.05 0.00 -0.34 0.00 0.00 43.02 42.92 2pze s PHE 626 CO 0.77 -0.19 0.17 -0.47 -1.46 0.00 0.00 175.22 174.03 2pze s TYR 627 N 0.07 -0.19 -4.65 10.12 5.04 -1.26 -0.59 117.35 125.88 2pze s TYR 627 Ca -0.01 0.61 0.00 0.00 -2.44 0.00 0.00 57.07 55.23 2pze s TYR 627 Cb -0.02 -0.20 0.00 0.00 0.35 0.00 0.00 41.96 42.08 2pze s TYR 627 CO 0.01 -0.25 0.00 0.41 -1.34 0.00 0.00 175.55 174.37 2pze n GLY 628 N 5.08 -0.56 3.93 8.97 0.00 -0.51 -5.00 105.19 117.10 2pze n GLY 628 Ca -0.10 -1.09 -0.25 0.00 0.00 0.00 0.00 46.02 44.58 2pze n GLY 628 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2pze s THR 629 N -3.00 3.00 0.22 2.61 -4.23 -1.26 -0.03 115.64 112.94 2pze s THR 629 Ca 0.00 -0.25 -0.07 0.00 -1.18 0.00 0.00 61.69 60.19 2pze s THR 629 Cb 0.00 -3.21 0.14 0.00 1.34 0.00 0.00 72.50 70.77 2pze s THR 629 CO 0.00 -0.20 1.76 0.15 -0.54 0.00 0.00 174.62 175.79 2pze h PHE 630 N -0.25 1.15 -0.90 3.99 3.57 -1.85 -1.34 116.94 121.32 2pze h PHE 630 Ca -0.45 -0.11 0.00 0.00 3.53 0.00 0.00 57.97 60.94 2pze h PHE 630 Cb 1.29 -0.33 -0.04 0.00 2.79 0.00 0.00 35.95 39.65 2pze h PHE 630 CO 0.40 0.91 0.56 0.77 -2.23 0.00 0.00 178.31 178.72 2pze h SER 631 N 1.06 1.06 0.03 0.41 0.02 -1.95 0.20 113.55 114.37 2pze h SER 631 Ca 0.23 -0.05 -0.03 0.00 -0.84 0.00 0.00 61.79 61.10 2pze h SER 631 Cb 0.31 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 2pze h SER 631 CO -0.01 0.80 -0.07 -0.33 -1.14 0.00 0.00 176.83 176.08 2pze h GLU 632 N 1.23 0.12 -0.01 3.45 5.08 -1.87 -2.27 114.58 120.30 2pze h GLU 632 Ca 0.32 -0.02 -0.20 0.00 -1.00 0.00 0.00 59.36 58.46 2pze h GLU 632 Cb -0.08 -0.02 0.02 0.00 0.50 0.00 0.00 28.75 29.16 2pze h GLU 632 CO -0.06 0.20 -0.79 1.25 -1.00 0.00 0.00 179.01 178.60 2pze h LEU 633 N 0.11 0.71 -1.40 1.33 5.85 -0.30 -3.29 115.31 118.33 2pze h LEU 633 Ca 0.03 -0.74 0.05 0.00 0.84 0.00 0.00 57.88 58.05 2pze h LEU 633 Cb 0.20 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 40.98 2pze h LEU 633 CO 0.01 1.36 0.45 1.56 -0.34 0.00 0.00 178.44 181.48 2pze h GLN 634 N 0.14 0.74 0.00 1.25 7.50 -0.45 -1.19 115.11 123.10 2pze h GLN 634 Ca -0.10 -0.04 0.00 0.00 0.50 0.00 0.00 58.65 59.01 2pze h GLN 634 Cb 1.47 -0.17 0.00 0.00 0.05 0.00 0.00 27.48 28.83 2pze h GLN 634 CO 0.16 0.49 0.00 0.27 -1.50 0.00 0.00 178.83 178.25 2pze n ASN 635 N -4.47 0.37 0.00 1.46 0.23 -0.87 -5.10 115.26 106.88 2pze n ASN 635 Ca 0.09 0.61 0.00 0.00 -0.53 0.00 0.00 54.58 54.75 2pze n ASN 635 Cb 0.17 -0.68 0.00 0.00 -2.08 0.00 0.00 39.78 37.19 2pze n ASN 635 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2pze n LEU 636 N -1.93 0.00 0.00 -4.53 -0.00 -0.45 -5.12 117.00 104.97 2pze n LEU 636 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.03 2pze n LEU 636 Cb 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.58 2pze n LEU 636 CO 0.14 0.00 0.00 -0.90 -0.00 0.00 0.00 177.39 176.63 2pze n ASP 639 N 0.00 0.00 -0.32 1.45 5.75 -1.26 -5.02 116.55 117.14 2pze n ASP 639 Ca 0.00 0.00 0.08 0.00 -0.01 0.00 0.00 54.79 54.86 2pze n ASP 639 Cb 0.00 0.00 0.28 0.00 -1.03 0.00 0.00 41.12 40.37 2pze n ASP 639 CO 0.00 0.00 0.00 0.15 -0.11 0.00 0.00 177.20 177.24 2pze h PHE 640 N 0.00 1.03 -0.50 2.11 3.04 -2.02 -2.31 116.94 118.28 2pze h PHE 640 Ca 0.00 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 61.97 2pze h PHE 640 Cb 0.00 -0.33 -0.02 0.00 2.56 0.00 0.00 35.95 38.16 2pze h PHE 640 CO 0.00 0.43 0.25 0.66 -2.02 0.00 0.00 178.31 177.63 2pze h SER 641 N 0.91 0.62 1.33 0.41 4.64 -1.99 0.11 113.55 119.59 2pze h SER 641 Ca 0.46 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 2pze h SER 641 Cb 0.50 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 2pze h SER 641 CO -0.23 0.52 0.00 0.77 -0.87 0.00 0.00 176.83 177.02 2pze h SER 642 N 0.70 0.00 0.20 4.97 4.64 -1.84 -1.15 113.55 121.07 2pze h SER 642 Ca 0.18 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.20 2pze h SER 642 Cb 0.05 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.17 2pze h SER 642 CO -0.03 0.00 -1.39 0.11 -0.87 0.00 0.00 176.83 174.66 2pze h LYS 643 N 0.00 0.42 0.00 4.77 1.57 -1.15 -3.37 116.57 118.81 2pze h LYS 643 Ca 0.00 -0.71 -0.08 0.00 -1.87 0.00 0.00 60.65 57.99 2pze h LYS 643 Cb 0.66 0.27 -0.01 0.00 0.08 0.00 0.00 32.23 33.23 2pze h LYS 643 CO 0.00 1.34 -0.36 1.25 -0.57 0.00 0.00 179.45 181.11 2pze h LEU 644 N -0.04 0.00 -1.62 2.94 5.85 -0.57 -3.52 115.31 118.35 2pze h LEU 644 Ca -0.26 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.46 2pze h LEU 644 Cb 1.99 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.02 2pze h LEU 644 CO 0.20 0.36 0.00 0.23 -0.34 0.00 0.00 178.44 178.89