#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mgl n SER 427 N 0.00 0.00 -0.15 4.31 2.88 -1.26 -3.03 113.62 116.38 3mgl n SER 427 Ca 0.00 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.46 3mgl n SER 427 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 3mgl n SER 427 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 3mgl h TYR 428 N 0.00 0.62 -0.14 0.66 3.20 -1.99 -1.80 116.97 117.53 3mgl h TYR 428 Ca 0.00 -0.03 -0.18 0.00 3.14 0.00 0.00 58.73 61.67 3mgl h TYR 428 Cb 0.00 -0.19 -0.00 0.00 1.54 0.00 0.00 36.73 38.07 3mgl h TYR 428 CO 0.00 0.50 -0.65 0.93 -1.64 0.00 0.00 178.16 177.30 3mgl h GLU 429 N 0.57 0.52 -0.56 1.82 4.39 -1.96 -1.72 114.58 117.63 3mgl h GLU 429 Ca 0.15 -0.38 -0.00 0.00 0.34 0.00 0.00 59.36 59.47 3mgl h GLU 429 Cb 0.10 0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.79 3mgl h GLU 429 CO -0.02 1.00 0.34 -0.07 -1.16 0.00 0.00 179.01 179.09 3mgl h LEU 430 N 0.38 0.68 -0.95 1.33 3.38 -1.80 -2.92 115.31 115.40 3mgl h LEU 430 Ca -0.01 -0.06 -0.10 0.00 0.09 0.00 0.00 57.88 57.79 3mgl h LEU 430 Cb 1.21 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 3mgl h LEU 430 CO 0.12 0.55 -0.30 0.00 0.09 0.00 0.00 178.44 178.90 3mgl h ALA 431 N 1.16 1.11 0.00 1.53 0.00 -1.12 0.13 119.26 122.08 3mgl h ALA 431 Ca 0.20 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3mgl h ALA 431 Cb -0.01 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3mgl h ALA 431 CO -0.04 0.56 0.00 1.96 0.00 0.00 0.00 179.25 181.73 3mgl h GLN 432 N 0.36 0.00 -0.43 0.00 1.08 -1.18 -1.33 115.11 113.61 3mgl h GLN 432 Ca 0.05 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.25 3mgl h GLN 432 Cb 0.70 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.13 3mgl h GLN 432 CO 0.05 0.00 0.00 0.72 -0.95 0.00 0.00 178.83 178.65 3mgl n HIS 433 N -2.73 0.57 -1.46 2.96 8.25 -0.51 -4.96 115.22 117.34 3mgl n HIS 433 Ca -0.01 -0.49 -0.04 0.00 -0.26 0.00 0.00 57.72 56.92 3mgl n HIS 433 Cb 0.16 -0.02 -0.01 0.00 1.12 0.00 0.00 29.99 31.24 3mgl n HIS 433 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3mgl n GLY 434 N 0.78 0.51 3.43 -1.41 0.00 -0.50 -5.03 105.19 102.96 3mgl n GLY 434 Ca 0.14 -0.83 -0.28 0.00 0.00 0.00 0.00 46.02 45.06 3mgl n GLY 434 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mgl s ARG 435 N -3.01 1.55 -0.07 1.61 0.52 0.35 -4.98 118.95 114.92 3mgl s ARG 435 Ca 0.00 -1.44 0.09 0.00 -0.52 0.00 0.00 55.73 53.86 3mgl s ARG 435 Cb 0.00 -1.90 -0.13 0.00 0.52 0.00 0.00 34.95 33.44 3mgl s ARG 435 CO 0.00 0.42 0.09 -1.13 0.02 0.00 0.00 175.30 174.70 3mgl n SER 436 N 0.45 2.60 -4.43 0.23 3.41 -1.26 -2.92 113.62 111.70 3mgl n SER 436 Ca -0.14 0.00 -0.22 0.00 -0.26 0.00 0.00 58.87 58.25 3mgl n SER 436 Cb 0.55 0.95 -0.10 0.00 -0.26 0.00 0.00 64.21 65.35 3mgl n SER 436 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3mgl s THR 437 N -2.37 2.24 0.23 6.66 -4.23 -1.26 -5.02 115.64 111.89 3mgl s THR 437 Ca -0.05 -2.34 -0.31 0.00 -1.18 0.00 0.00 61.69 57.81 3mgl s THR 437 Cb 0.04 -2.23 -0.11 0.00 1.34 0.00 0.00 72.50 71.54 3mgl s THR 437 CO 0.41 -0.46 1.61 -0.76 -0.54 0.00 0.00 174.62 174.88 3mgl s LEU 438 N -3.45 4.36 0.55 4.79 1.43 -1.26 -4.96 118.68 120.14 3mgl s LEU 438 Ca 0.28 2.80 -0.19 0.00 -1.03 0.00 0.00 54.13 55.99 3mgl s LEU 438 Cb -0.03 -3.61 -0.05 0.00 0.03 0.00 0.00 46.19 42.52 3mgl s LEU 438 CO 0.12 -0.88 1.15 -2.16 0.23 0.00 0.00 176.35 174.81 3mgl s PRO 439 N 0.50 3.28 0.54 1.29 0.04 -1.26 -4.89 135.00 134.49 3mgl s PRO 439 Ca 0.68 1.66 0.35 0.00 0.04 0.00 0.00 61.00 63.74 3mgl s PRO 439 Cb -0.47 -1.99 1.53 0.00 0.04 0.00 0.00 34.50 33.61 3mgl s PRO 439 CO 0.38 -0.92 1.83 -0.09 0.04 0.00 0.00 177.00 178.23 3mgl h ARG 440 N 1.14 0.00 0.00 4.56 2.43 -2.04 -0.99 114.38 119.49 3mgl h ARG 440 Ca -0.50 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.67 3mgl h ARG 440 Cb 1.27 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.82 3mgl h ARG 440 CO 0.57 0.00 0.00 0.39 -1.51 0.00 0.00 179.97 179.42 3mgl n GLU 441 N -4.21 0.00 -4.85 0.20 4.71 -1.26 -4.65 120.64 110.58 3mgl n GLU 441 Ca 0.23 0.13 -0.31 0.00 -0.01 0.00 0.00 57.16 57.20 3mgl n GLU 441 Cb 1.16 -1.51 -0.17 0.00 -1.01 0.00 0.00 31.44 29.91 3mgl n GLU 441 CO 0.00 0.00 0.00 -1.17 0.09 0.00 0.00 177.13 176.05 3mgl s LEU 442 N -3.03 2.01 0.19 -4.62 2.96 -0.38 -0.39 118.68 115.42 3mgl s LEU 442 Ca 0.10 -0.54 0.10 0.00 -0.22 0.00 0.00 54.13 53.58 3mgl s LEU 442 Cb 0.14 -1.33 -0.04 0.00 0.50 0.00 0.00 46.19 45.46 3mgl s LEU 442 CO 0.40 0.10 -0.21 0.00 -1.32 0.00 0.00 176.35 175.31 3mgl s ALA 443 N 0.64 2.31 -0.03 5.97 0.00 -0.10 -4.71 121.76 125.84 3mgl s ALA 443 Ca -0.12 -1.59 0.01 0.00 0.00 0.00 0.00 51.96 50.26 3mgl s ALA 443 Cb -0.16 -0.26 0.02 0.00 0.00 0.00 0.00 23.12 22.71 3mgl s ALA 443 CO 0.03 0.33 -0.04 0.08 0.00 0.00 0.00 175.76 176.16 3mgl s VAL 444 N -1.91 0.45 -0.01 0.00 1.01 -1.26 -1.15 120.40 117.54 3mgl s VAL 444 Ca 0.19 -0.12 0.01 0.00 0.00 0.00 0.00 61.98 62.06 3mgl s VAL 444 Cb -0.07 -0.47 0.01 0.00 0.00 0.00 0.00 36.38 35.85 3mgl s VAL 444 CO 0.09 0.19 -0.01 -0.47 0.00 0.00 0.00 175.10 174.89 3mgl s TYR 445 N 0.66 0.21 -0.14 5.22 5.04 0.24 -4.95 117.35 123.63 3mgl s TYR 445 Ca -0.08 -0.02 -0.02 0.00 -2.44 0.00 0.00 57.07 54.51 3mgl s TYR 445 Cb -0.11 -0.20 -0.02 0.00 0.35 0.00 0.00 41.96 41.98 3mgl s TYR 445 CO -0.00 -0.04 -0.09 0.00 -1.34 0.00 0.00 175.55 174.08 3mgl s ALA 446 N 0.28 2.79 0.06 3.97 0.00 -1.26 0.12 121.76 127.71 3mgl s ALA 446 Ca -0.02 -0.87 -0.31 0.00 0.00 0.00 0.00 51.96 50.76 3mgl s ALA 446 Cb -0.05 -1.37 -0.07 0.00 0.00 0.00 0.00 23.12 21.63 3mgl s ALA 446 CO -0.01 0.22 1.49 -0.51 0.00 0.00 0.00 175.76 176.95 3mgl s LEU 447 N 0.38 4.35 0.00 0.00 1.43 -0.77 -4.93 118.68 119.14 3mgl s LEU 447 Ca -0.08 2.32 0.00 0.00 -1.03 0.00 0.00 54.13 55.34 3mgl s LEU 447 Cb -0.15 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.50 3mgl s LEU 447 CO 0.04 -0.77 0.96 -1.84 0.23 0.00 0.00 176.35 174.98 3mgl n GLU 448 N 5.05 0.00 0.00 1.70 -0.00 -1.26 -4.55 120.64 121.58 3mgl n GLU 448 Ca 0.14 0.66 0.00 0.00 -0.00 0.00 0.00 57.16 57.95 3mgl n GLU 448 Cb 0.42 -1.46 0.00 0.00 -0.00 0.00 0.00 31.44 30.40 3mgl n GLU 448 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3mgl n GLY 449 N -0.98 4.59 0.28 -1.84 0.00 -1.26 -4.83 105.19 101.15 3mgl n GLY 449 Ca 0.00 -0.87 0.13 0.00 0.00 0.00 0.00 46.02 45.28 3mgl n GLY 449 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3mgl h PRO 450 N 0.00 0.00 -2.37 1.61 0.13 -1.87 -3.21 132.00 126.29 3mgl h PRO 450 Ca 0.00 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.46 3mgl h PRO 450 Cb 0.00 0.00 -0.37 0.00 0.13 0.00 0.00 31.00 30.76 3mgl h PRO 450 CO 0.00 0.05 -0.09 1.19 -0.23 0.00 0.00 178.00 178.93 3mgl n PHE 451 N -3.88 3.36 1.89 1.56 3.72 -1.26 -4.83 117.46 118.01 3mgl n PHE 451 Ca -0.03 -3.56 0.07 0.00 -0.05 0.00 0.00 57.45 53.88 3mgl n PHE 451 Cb 0.15 -0.77 0.36 0.00 -0.94 0.00 0.00 39.48 38.27 3mgl n PHE 451 CO 0.00 0.00 0.00 1.97 -0.05 0.00 0.00 176.76 178.68 3mgl n PHE 452 N 0.49 0.04 0.05 1.38 1.16 -1.21 -4.47 117.46 114.90 3mgl n PHE 452 Ca 0.32 -0.02 -0.13 0.00 -1.87 0.00 0.00 57.45 55.75 3mgl n PHE 452 Cb 0.37 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 38.17 3mgl n PHE 452 CO 0.00 0.00 0.00 0.74 -1.87 0.00 0.00 176.76 175.63 3mgl h PHE 453 N 0.26 -1.12 -0.17 2.97 0.04 -1.92 0.15 116.94 117.15 3mgl h PHE 453 Ca 0.00 0.04 0.04 0.00 2.80 0.00 0.00 57.97 60.84 3mgl h PHE 453 Cb 0.06 0.49 -0.04 0.00 2.20 0.00 0.00 35.95 38.67 3mgl h PHE 453 CO 0.02 -0.47 -0.06 0.00 -0.60 0.00 0.00 178.31 177.20 3mgl h ALA 454 N 0.06 0.10 -0.52 2.45 0.00 -2.01 -1.25 119.26 118.09 3mgl h ALA 454 Ca 0.06 0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 3mgl h ALA 454 Cb 0.63 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 3mgl h ALA 454 CO -0.32 -0.49 -0.10 0.00 0.00 0.00 0.00 179.25 178.34 3mgl h ALA 455 N 1.15 0.71 -0.84 0.00 0.00 -1.83 -2.43 119.26 116.02 3mgl h ALA 455 Ca 0.09 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3mgl h ALA 455 Cb 0.15 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 3mgl h ALA 455 CO -0.19 0.62 0.54 0.00 0.00 0.00 0.00 179.25 180.22 3mgl h ALA 456 N 0.91 1.37 -0.23 0.00 0.00 -0.54 -2.36 119.26 118.41 3mgl h ALA 456 Ca 0.13 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3mgl h ALA 456 Cb 0.67 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3mgl h ALA 456 CO 0.05 0.57 0.08 1.49 0.00 0.00 0.00 179.25 181.44 3mgl h GLU 457 N 1.14 0.35 -0.74 0.00 4.81 -0.88 -1.59 114.58 117.67 3mgl h GLU 457 Ca 0.31 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.44 3mgl h GLU 457 Cb -0.10 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.19 3mgl h GLU 457 CO -0.06 0.42 0.38 1.15 -0.73 0.00 0.00 179.01 180.16 3mgl h THR 458 N 0.21 1.24 -0.24 0.32 2.02 -1.36 -2.06 112.91 113.04 3mgl h THR 458 Ca 0.08 -0.63 -0.18 0.00 0.77 0.00 0.00 66.41 66.44 3mgl h THR 458 Cb 0.21 0.29 -0.00 0.00 -1.74 0.00 0.00 68.15 66.90 3mgl h THR 458 CO -0.00 0.27 -0.57 0.15 0.37 0.00 0.00 175.52 175.74 3mgl h PHE 459 N 1.04 0.93 -0.54 3.16 3.57 -1.32 0.56 116.94 124.34 3mgl h PHE 459 Ca 0.26 -0.34 0.07 0.00 3.53 0.00 0.00 57.97 61.49 3mgl h PHE 459 Cb 0.09 -0.17 -0.06 0.00 2.79 0.00 0.00 35.95 38.60 3mgl h PHE 459 CO 0.01 1.13 0.21 1.49 -2.23 0.00 0.00 178.31 178.92 3mgl h GLU 460 N 0.56 0.40 -0.26 1.11 4.81 -1.24 -2.85 114.58 117.11 3mgl h GLU 460 Ca 0.01 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 3mgl h GLU 460 Cb 1.15 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.43 3mgl h GLU 460 CO 0.12 0.26 0.13 -0.09 -0.73 0.00 0.00 179.01 178.70 3mgl h ARG 461 N 0.41 0.37 -0.49 1.92 2.43 -0.87 -1.26 114.38 116.88 3mgl h ARG 461 Ca 0.26 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.38 3mgl h ARG 461 Cb 0.26 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.75 3mgl h ARG 461 CO -0.24 0.35 0.00 0.28 -1.51 0.00 0.00 179.97 178.85 3mgl n VAL 462 N -4.82 0.00 0.00 0.20 0.31 0.14 -1.52 118.33 112.64 3mgl n VAL 462 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 3mgl n VAL 462 Cb 0.09 -0.12 0.00 0.00 -0.91 0.00 0.00 33.84 32.91 3mgl n VAL 462 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3mgl n GLY 464 N 0.59 0.00 0.06 2.92 0.00 -0.48 -1.38 105.19 106.90 3mgl n GLY 464 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 3mgl n GLY 464 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3mgl n SER 465 N 0.00 2.46 -4.77 1.61 2.88 -0.57 -5.00 113.62 110.23 3mgl n SER 465 Ca 0.00 -0.02 -0.37 0.00 -1.33 0.00 0.00 58.87 57.15 3mgl n SER 465 Cb 0.00 0.48 -0.01 0.00 -0.75 0.00 0.00 64.21 63.94 3mgl n SER 465 CO 0.00 0.00 0.00 0.27 -1.23 0.00 0.00 175.04 174.08 3mgl s ILE 466 N -2.27 3.12 0.08 2.46 -4.36 -0.48 -4.99 121.20 114.76 3mgl s ILE 466 Ca -0.09 0.82 -0.31 0.00 -0.26 0.00 0.00 60.65 60.81 3mgl s ILE 466 Cb 0.04 -3.41 -0.17 0.00 1.25 0.00 0.00 42.46 40.17 3mgl s ILE 466 CO 0.42 -0.03 1.65 1.56 0.24 0.00 0.00 174.94 178.77 3mgl h GLN 467 N 1.94 -0.70 -5.58 0.37 4.20 -1.94 -3.43 115.11 109.97 3mgl h GLN 467 Ca -0.49 0.05 -0.65 0.00 0.06 0.00 0.00 58.65 57.62 3mgl h GLN 467 Cb 1.25 0.16 -0.14 0.00 0.30 0.00 0.00 27.48 29.04 3mgl h GLN 467 CO 0.60 -0.46 -0.58 -1.21 -0.67 0.00 0.00 178.83 176.51 3mgl s GLU 468 N -6.08 3.52 0.08 1.46 2.02 -1.26 -5.11 118.70 113.34 3mgl s GLU 468 Ca -0.17 -0.34 0.07 0.00 0.02 0.00 0.00 54.97 54.55 3mgl s GLU 468 Cb 0.04 -3.04 -0.04 0.00 0.10 0.00 0.00 34.13 31.19 3mgl s GLU 468 CO 0.63 0.51 -0.11 0.95 0.02 0.00 0.00 175.26 177.25 3mgl s THR 469 N -0.31 3.28 0.82 3.63 -4.23 -1.26 -5.12 115.64 112.45 3mgl s THR 469 Ca 0.08 -1.21 -0.11 0.00 -1.18 0.00 0.00 61.69 59.27 3mgl s THR 469 Cb -0.12 -2.50 0.09 0.00 1.34 0.00 0.00 72.50 71.31 3mgl s THR 469 CO 0.02 0.18 1.09 -2.16 -0.54 0.00 0.00 174.62 173.21 3mgl s PRO 470 N -2.00 1.84 0.11 3.99 0.04 -1.26 -4.97 135.00 132.76 3mgl s PRO 470 Ca 0.20 1.10 -0.09 0.00 0.04 0.00 0.00 61.00 62.24 3mgl s PRO 470 Cb -0.11 -1.85 -0.13 0.00 0.04 0.00 0.00 34.50 32.45 3mgl s PRO 470 CO 0.11 -1.91 1.29 1.96 0.04 0.00 0.00 177.00 178.49 3mgl h GLN 471 N -1.32 0.59 -4.44 4.56 4.20 -1.00 -3.43 115.11 114.26 3mgl h GLN 471 Ca -0.45 -0.57 -0.46 0.00 0.06 0.00 0.00 58.65 57.23 3mgl h GLN 471 Cb 1.25 0.15 -0.33 0.00 0.30 0.00 0.00 27.48 28.85 3mgl h GLN 471 CO 0.51 1.19 -0.79 0.42 -0.67 0.00 0.00 178.83 179.49 3mgl s ILE 472 N -3.44 0.85 -0.10 2.54 1.01 -0.47 -1.50 121.20 120.09 3mgl s ILE 472 Ca -0.08 -0.34 0.02 0.00 0.00 0.00 0.00 60.65 60.25 3mgl s ILE 472 Cb 0.08 -0.79 -0.01 0.00 0.01 0.00 0.00 42.46 41.75 3mgl s ILE 472 CO 0.89 0.28 -0.18 -0.22 0.00 0.00 0.00 174.94 175.71 3mgl s LEU 473 N 0.55 2.47 -0.23 2.97 2.96 0.07 -0.92 118.68 126.55 3mgl s LEU 473 Ca -0.10 -0.39 -0.08 0.00 -0.22 0.00 0.00 54.13 53.34 3mgl s LEU 473 Cb -0.13 -1.52 -0.04 0.00 0.50 0.00 0.00 46.19 45.00 3mgl s LEU 473 CO 0.02 0.20 0.09 -0.63 -1.32 0.00 0.00 176.35 174.70 3mgl s ILE 474 N 0.15 4.64 -0.30 6.68 1.01 -0.30 -0.18 121.20 132.90 3mgl s ILE 474 Ca -0.09 -0.07 -0.12 0.00 0.00 0.00 0.00 60.65 60.37 3mgl s ILE 474 Cb -0.16 -3.15 -0.04 0.00 0.01 0.00 0.00 42.46 39.13 3mgl s ILE 474 CO 0.06 0.36 0.23 -0.76 0.00 0.00 0.00 174.94 174.83 3mgl s LEU 475 N 1.24 4.22 -0.20 2.97 1.43 0.56 -0.59 118.68 128.30 3mgl s LEU 475 Ca 0.05 -0.15 -0.18 0.00 -1.03 0.00 0.00 54.13 52.82 3mgl s LEU 475 Cb -0.14 -2.16 -0.03 0.00 0.03 0.00 0.00 46.19 43.89 3mgl s LEU 475 CO 0.04 -0.14 0.52 -0.13 0.23 0.00 0.00 176.35 176.87 3mgl s ARG 476 N 1.78 4.18 0.00 1.70 0.52 0.12 -2.00 118.95 125.25 3mgl s ARG 476 Ca 0.07 0.41 0.13 0.00 -0.52 0.00 0.00 55.73 55.83 3mgl s ARG 476 Cb -0.17 -3.57 0.23 0.00 0.52 0.00 0.00 34.95 31.97 3mgl s ARG 476 CO 0.11 -0.16 1.11 1.28 0.02 0.00 0.00 175.30 177.66 3mgl n LEU 477 N 4.83 2.60 -0.33 2.53 4.32 0.18 -1.85 117.00 129.28 3mgl n LEU 477 Ca -0.05 -1.46 0.19 0.00 -0.02 0.00 0.00 56.01 54.68 3mgl n LEU 477 Cb 0.50 -0.13 0.41 0.00 -1.62 0.00 0.00 43.42 42.58 3mgl n LEU 477 CO 0.42 0.57 1.09 0.50 -1.22 0.00 0.00 177.39 178.75 3mgl h LYS 478 N 2.61 0.37 -0.35 3.23 3.64 -1.68 -1.32 116.57 123.07 3mgl h LYS 478 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3mgl h LYS 478 Cb 0.67 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 3mgl h LYS 478 CO 0.00 0.24 0.00 0.91 -2.27 0.00 0.00 179.45 178.33 3mgl n TRP 479 N -5.04 0.46 -3.15 1.91 8.01 -1.26 -4.77 117.44 113.59 3mgl n TRP 479 Ca 0.28 -0.23 -0.44 0.00 -1.31 0.00 0.00 57.50 55.80 3mgl n TRP 479 Cb 0.84 0.00 -0.06 0.00 -2.01 0.00 0.00 31.31 30.08 3mgl n TRP 479 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.69 176.76 3mgl s VAL 480 N -1.54 4.87 0.24 -0.99 1.01 -0.50 -4.09 120.40 119.40 3mgl s VAL 480 Ca 0.28 -0.62 0.07 0.00 0.00 0.00 0.00 61.98 61.71 3mgl s VAL 480 Cb 0.15 -4.34 -0.06 0.00 0.00 0.00 0.00 36.38 32.13 3mgl s VAL 480 CO 0.20 -0.87 1.54 1.55 0.00 0.00 0.00 175.10 177.53 3mgl h PRO 481 N 9.03 0.13 0.00 2.72 0.13 -1.87 -3.43 132.00 138.71 3mgl h PRO 481 Ca -0.28 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 3mgl h PRO 481 Cb 1.09 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.24 3mgl h PRO 481 CO 0.99 0.75 0.00 1.97 -0.23 0.00 0.00 178.00 181.48 3mgl n PHE 482 N -3.79 0.00 -3.93 1.56 1.16 -1.26 -4.73 117.46 106.47 3mgl n PHE 482 Ca -0.02 0.00 -0.10 0.00 -1.87 0.00 0.00 57.45 55.46 3mgl n PHE 482 Cb 0.66 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.50 3mgl n PHE 482 CO 0.00 0.00 0.00 -0.40 -1.87 0.00 0.00 176.76 174.49 3mgl n ASP 484 N 0.00 -0.80 0.29 5.98 5.68 -1.26 -4.79 116.55 121.64 3mgl n ASP 484 Ca 0.00 -2.24 0.15 0.00 -0.50 0.00 0.00 54.79 52.20 3mgl n ASP 484 Cb 0.00 1.54 0.92 0.00 -1.14 0.00 0.00 41.12 42.44 3mgl n ASP 484 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 3mgl h ILE 485 N 1.65 0.51 -0.15 2.12 2.10 -2.04 -0.75 117.51 120.96 3mgl h ILE 485 Ca -0.17 0.00 -0.11 0.00 1.08 0.00 0.00 64.86 65.67 3mgl h ILE 485 Cb 0.76 0.98 0.00 0.00 -1.09 0.00 0.00 36.82 37.48 3mgl h ILE 485 CO 0.23 0.00 -0.32 0.71 -1.08 0.00 0.00 178.15 177.69 3mgl h THR 486 N 0.00 1.36 -0.64 2.19 1.35 -2.02 -2.10 112.91 113.05 3mgl h THR 486 Ca 0.01 -1.59 -0.06 0.00 -0.55 0.00 0.00 66.41 64.22 3mgl h THR 486 Cb 0.05 2.01 -0.03 0.00 -1.73 0.00 0.00 68.15 68.45 3mgl h THR 486 CO -0.00 0.48 0.16 1.23 -0.25 0.00 0.00 175.52 177.13 3mgl h GLY 487 N 0.09 1.11 0.99 5.82 0.00 -1.66 -2.25 103.07 107.18 3mgl h GLY 487 Ca 0.00 -0.70 -0.00 0.00 0.00 0.00 0.00 47.33 46.63 3mgl h GLY 487 CO 0.07 0.65 -0.04 -2.22 0.00 0.00 0.00 176.54 175.00 3mgl h ILE 488 N 0.95 0.92 -0.24 2.60 1.08 -1.18 0.37 117.51 122.01 3mgl h ILE 488 Ca 0.20 -0.02 -0.10 0.00 -0.39 0.00 0.00 64.86 64.55 3mgl h ILE 488 Cb 0.36 0.94 -0.01 0.00 -3.07 0.00 0.00 36.82 35.03 3mgl h ILE 488 CO 0.00 0.01 -0.27 1.56 -0.69 0.00 0.00 178.15 178.76 3mgl h GLN 489 N -0.12 0.47 -0.11 2.37 4.20 -1.38 0.47 115.11 121.01 3mgl h GLN 489 Ca -0.01 -0.18 -0.00 0.00 0.06 0.00 0.00 58.65 58.51 3mgl h GLN 489 Cb 0.10 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 3mgl h GLN 489 CO 0.02 0.70 0.06 1.15 -0.67 0.00 0.00 178.83 180.08 3mgl h THR 490 N 0.41 1.10 -0.29 -0.54 2.02 -1.18 -1.29 112.91 113.14 3mgl h THR 490 Ca 0.06 -0.29 -0.07 0.00 0.77 0.00 0.00 66.41 66.88 3mgl h THR 490 Cb 0.69 1.10 -0.01 0.00 -1.74 0.00 0.00 68.15 68.19 3mgl h THR 490 CO 0.05 0.09 -0.09 0.25 0.37 0.00 0.00 175.52 176.19 3mgl h LEU 491 N 0.07 0.58 -0.35 2.58 5.85 -0.65 -2.88 115.31 120.50 3mgl h LEU 491 Ca 0.04 -0.38 0.08 0.00 0.84 0.00 0.00 57.88 58.45 3mgl h LEU 491 Cb 0.10 -0.16 -0.09 0.00 0.37 0.00 0.00 40.66 40.88 3mgl h LEU 491 CO -0.01 0.83 -0.28 -0.08 -0.34 0.00 0.00 178.44 178.56 3mgl h GLU 492 N 0.33 -0.23 -0.91 1.25 4.81 -0.92 -0.55 114.58 118.36 3mgl h GLU 492 Ca 0.07 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 3mgl h GLU 492 Cb 0.58 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.02 3mgl h GLU 492 CO 0.03 -0.15 0.00 -1.91 -0.73 0.00 0.00 179.01 176.25 3mgl n GLU 493 N -5.40 0.00 0.00 1.92 2.13 -0.49 -1.81 120.64 116.99 3mgl n GLU 493 Ca 0.01 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.83 3mgl n GLU 493 Cb 0.32 -1.21 0.00 0.00 0.27 0.00 0.00 31.44 30.82 3mgl n GLU 493 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 3mgl n ILE 495 N 0.72 0.00 -0.26 6.31 5.41 -0.22 -1.54 119.36 129.77 3mgl n ILE 495 Ca 0.00 0.00 -0.03 0.00 1.00 0.00 0.00 62.75 63.72 3mgl n ILE 495 Cb 0.00 0.00 0.13 0.00 -0.71 0.00 0.00 39.64 39.06 3mgl n ILE 495 CO 0.00 0.00 0.00 1.56 0.00 0.00 0.00 176.55 178.11 3mgl h GLN 496 N 0.00 1.12 -0.03 0.38 4.20 -1.61 0.29 115.11 119.46 3mgl h GLN 496 Ca 0.00 -0.15 -0.08 0.00 0.06 0.00 0.00 58.65 58.48 3mgl h GLN 496 Cb 0.00 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.56 3mgl h GLN 496 CO 0.00 0.85 -0.35 0.66 -0.67 0.00 0.00 178.83 179.32 3mgl h SER 497 N 1.11 0.05 -0.20 1.46 4.64 -1.55 -1.87 113.55 117.19 3mgl h SER 497 Ca 0.27 -0.02 -0.11 0.00 -0.47 0.00 0.00 61.79 61.47 3mgl h SER 497 Cb 0.09 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.17 3mgl h SER 497 CO -0.04 0.40 -0.30 -0.26 -0.87 0.00 0.00 176.83 175.77 3mgl h PHE 498 N 0.05 0.68 -0.80 4.77 0.04 -1.66 -3.26 116.94 116.74 3mgl h PHE 498 Ca 0.00 -0.23 -0.04 0.00 2.80 0.00 0.00 57.97 60.50 3mgl h PHE 498 Cb 0.64 -0.13 -0.04 0.00 2.20 0.00 0.00 35.95 38.62 3mgl h PHE 498 CO 0.00 0.94 0.33 0.45 -0.60 0.00 0.00 178.31 179.44 3mgl h HIS 499 N 0.21 1.21 0.00 -0.55 3.86 -0.74 -1.88 115.15 117.27 3mgl h HIS 499 Ca 0.02 -0.09 0.00 0.00 -1.16 0.00 0.00 60.37 59.14 3mgl h HIS 499 Cb 0.88 -0.37 0.00 0.00 1.06 0.00 0.00 27.41 28.98 3mgl h HIS 499 CO 0.09 0.91 0.00 1.57 0.86 0.00 0.00 177.93 181.36 3mgl h LYS 500 N 1.17 0.00 -0.60 2.45 2.10 -1.40 0.08 116.57 120.37 3mgl h LYS 500 Ca 0.27 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.92 3mgl h LYS 500 Cb 0.20 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.53 3mgl h LYS 500 CO -0.02 0.00 0.00 0.54 -2.00 0.00 0.00 179.45 177.97 3mgl n ARG 501 N -2.82 2.81 -1.14 0.07 1.74 -0.85 -4.93 116.66 111.53 3mgl n ARG 501 Ca -0.01 -2.04 -0.05 0.00 -0.77 0.00 0.00 57.85 54.98 3mgl n ARG 501 Cb 0.17 -1.65 -0.02 0.00 -1.02 0.00 0.00 32.46 29.94 3mgl n ARG 501 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3mgl n GLY 502 N 1.01 0.76 3.63 -0.13 0.00 0.01 -5.00 105.19 105.47 3mgl n GLY 502 Ca 0.19 -0.84 -0.39 0.00 0.00 0.00 0.00 46.02 44.97 3mgl n GLY 502 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mgl s ILE 503 N -2.18 5.10 0.05 -0.61 1.01 -0.77 -4.88 121.20 118.92 3mgl s ILE 503 Ca 0.00 0.83 -0.30 0.00 0.00 0.00 0.00 60.65 61.18 3mgl s ILE 503 Cb 0.00 -3.80 -0.05 0.00 0.01 0.00 0.00 42.46 38.62 3mgl s ILE 503 CO 0.00 0.13 1.08 -0.75 0.00 0.00 0.00 174.94 175.40 3mgl s LYS 504 N 2.06 4.52 -0.14 2.79 2.20 -0.56 -4.01 119.74 126.60 3mgl s LYS 504 Ca 0.21 1.59 -0.01 0.00 -0.36 0.00 0.00 55.97 57.40 3mgl s LYS 504 Cb -0.16 -3.39 -0.02 0.00 -1.51 0.00 0.00 37.83 32.76 3mgl s LYS 504 CO 0.09 -0.11 -0.11 0.08 -0.36 0.00 0.00 175.35 174.93 3mgl s VAL 505 N 0.88 3.17 0.08 4.02 1.01 -1.26 -0.75 120.40 127.54 3mgl s VAL 505 Ca 0.54 -0.61 0.05 0.00 0.00 0.00 0.00 61.98 61.96 3mgl s VAL 505 Cb -0.25 -2.35 -0.04 0.00 0.00 0.00 0.00 36.38 33.74 3mgl s VAL 505 CO 0.29 0.51 -0.05 -0.76 0.00 0.00 0.00 175.10 175.10 3mgl s LEU 506 N 0.46 3.27 -0.02 3.92 1.02 0.75 -4.90 118.68 123.18 3mgl s LEU 506 Ca -0.08 -0.24 0.07 0.00 0.02 0.00 0.00 54.13 53.90 3mgl s LEU 506 Cb -0.15 -2.00 -0.02 0.00 0.02 0.00 0.00 46.19 44.03 3mgl s LEU 506 CO 0.04 0.20 -0.24 -0.63 0.02 0.00 0.00 176.35 175.73 3mgl s ILE 507 N -1.22 2.19 0.04 -0.59 1.01 -0.22 -0.32 121.20 122.09 3mgl s ILE 507 Ca 0.23 -1.06 -0.02 0.00 0.00 0.00 0.00 60.65 59.80 3mgl s ILE 507 Cb -0.11 -1.77 -0.03 0.00 0.01 0.00 0.00 42.46 40.56 3mgl s ILE 507 CO 0.15 0.58 -0.00 -0.94 0.00 0.00 0.00 174.94 174.73 3mgl s SER 508 N -0.63 0.33 0.00 3.58 1.04 -0.85 -0.03 113.70 117.15 3mgl s SER 508 Ca 0.10 -0.72 0.00 0.00 0.48 0.00 0.00 55.95 55.81 3mgl s SER 508 Cb -0.10 0.17 0.00 0.00 0.10 0.00 0.00 66.02 66.19 3mgl s SER 508 CO -0.01 -0.48 0.00 0.61 0.98 0.00 0.00 173.24 174.34 3mgl n GLY 509 N 0.77 0.92 3.70 7.32 0.00 -0.88 -0.65 105.19 116.37 3mgl n GLY 509 Ca -0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.40 3mgl n GLY 509 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mgl n ALA 510 N 1.00 2.22 -0.67 4.61 0.00 -1.26 -3.31 120.51 123.09 3mgl n ALA 510 Ca 0.00 0.41 -0.17 0.00 0.00 0.00 0.00 53.44 53.68 3mgl n ALA 510 Cb 0.00 -2.44 0.25 0.00 0.00 0.00 0.00 19.45 17.26 3mgl n ALA 510 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3mgl n ASN 511 N 3.34 -3.04 0.20 0.00 0.23 -1.26 -4.58 115.26 110.16 3mgl n ASN 511 Ca 0.15 -0.97 0.08 0.00 -0.53 0.00 0.00 54.58 53.31 3mgl n ASN 511 Cb 0.33 -0.93 0.40 0.00 -2.08 0.00 0.00 39.78 37.50 3mgl n ASN 511 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 3mgl h SER 512 N -3.07 0.00 0.00 0.53 4.64 -1.98 0.17 113.55 113.85 3mgl h SER 512 Ca -0.37 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.94 3mgl h SER 512 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 3mgl h SER 512 CO 0.23 0.30 -0.01 -0.09 -0.87 0.00 0.00 176.83 176.39 3mgl h ARG 513 N 0.00 0.00 -0.98 4.77 2.43 -1.93 -3.05 114.38 115.63 3mgl h ARG 513 Ca -0.00 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.17 3mgl h ARG 513 Cb 0.82 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.32 3mgl h ARG 513 CO 0.04 1.00 0.65 0.28 -1.51 0.00 0.00 179.97 180.43 3mgl h VAL 514 N -0.99 1.25 -0.62 0.20 2.07 -1.84 -1.22 116.25 115.10 3mgl h VAL 514 Ca -0.00 -0.46 0.11 0.00 0.82 0.00 0.00 66.70 67.17 3mgl h VAL 514 Cb 1.01 -0.19 -0.08 0.00 -1.52 0.00 0.00 31.29 30.51 3mgl h VAL 514 CO 0.00 0.24 0.18 0.28 0.02 0.00 0.00 177.57 178.30 3mgl h SER 515 N 1.32 0.11 -0.25 0.57 0.02 -1.06 0.38 113.55 114.65 3mgl h SER 515 Ca 0.36 0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 61.39 3mgl h SER 515 Cb -0.15 0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.49 3mgl h SER 515 CO -0.08 0.06 0.10 -0.61 -1.14 0.00 0.00 176.83 175.17 3mgl h GLN 516 N 0.33 0.37 -0.99 3.45 4.15 -1.26 -2.95 115.11 118.22 3mgl h GLN 516 Ca 0.33 -0.07 0.05 0.00 0.77 0.00 0.00 58.65 59.73 3mgl h GLN 516 Cb 0.46 -0.06 -0.06 0.00 0.21 0.00 0.00 27.48 28.03 3mgl h GLN 516 CO -0.37 0.41 0.64 -0.22 -1.93 0.00 0.00 178.83 177.36 3mgl h LYS 517 N 0.25 1.17 -0.43 1.69 1.63 -0.37 -0.90 116.57 119.61 3mgl h LYS 517 Ca 0.08 -0.07 -0.05 0.00 -0.85 0.00 0.00 60.65 59.76 3mgl h LYS 517 Cb 0.17 -0.26 -0.02 0.00 -0.60 0.00 0.00 32.23 31.52 3mgl h LYS 517 CO -0.01 0.77 0.05 -0.07 -3.45 0.00 0.00 179.45 176.75 3mgl h LEU 518 N 1.20 0.61 0.07 5.20 3.38 -0.86 0.13 115.31 125.04 3mgl h LEU 518 Ca 0.41 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.26 3mgl h LEU 518 Cb 0.08 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.67 3mgl h LEU 518 CO -0.15 0.65 -0.03 0.58 0.09 0.00 0.00 178.44 179.58 3mgl h VAL 519 N 0.63 1.20 -0.79 1.22 2.07 -1.26 -0.26 116.25 119.07 3mgl h VAL 519 Ca 0.14 -0.98 0.13 0.00 0.82 0.00 0.00 66.70 66.80 3mgl h VAL 519 Cb 0.32 1.83 -0.09 0.00 -1.52 0.00 0.00 31.29 31.83 3mgl h VAL 519 CO 0.01 0.24 0.39 0.50 0.02 0.00 0.00 177.57 178.72 3mgl h LYS 520 N -0.54 0.58 0.00 1.57 3.64 -0.88 -1.84 116.57 119.11 3mgl h LYS 520 Ca -0.01 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3mgl h LYS 520 Cb 0.46 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 3mgl h LYS 520 CO 0.02 0.38 0.00 0.00 -2.27 0.00 0.00 179.45 177.58 3mgl n ALA 521 N -2.43 2.28 -0.76 5.00 0.00 0.44 -4.91 120.51 120.12 3mgl n ALA 521 Ca 0.14 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.49 3mgl n ALA 521 Cb 0.37 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.36 3mgl n ALA 521 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mgl n GLY 522 N 1.39 0.64 0.15 0.00 0.00 -0.69 -4.95 105.19 101.73 3mgl n GLY 522 Ca 0.07 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.05 3mgl n GLY 522 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3mgl h ILE 523 N 0.00 1.42 -0.23 -0.61 2.04 -1.28 -1.73 117.51 117.11 3mgl h ILE 523 Ca 0.00 -2.08 -0.09 0.00 1.00 0.00 0.00 64.86 63.69 3mgl h ILE 523 Cb 0.00 2.09 -0.00 0.00 -0.74 0.00 0.00 36.82 38.17 3mgl h ILE 523 CO 0.00 0.60 -0.22 0.58 0.00 0.00 0.00 178.15 179.12 3mgl h VAL 524 N 0.09 1.32 -0.82 1.67 2.07 -1.76 -2.10 116.25 116.72 3mgl h VAL 524 Ca -0.01 -1.37 0.11 0.00 0.82 0.00 0.00 66.70 66.25 3mgl h VAL 524 Cb 1.12 1.69 -0.08 0.00 -1.52 0.00 0.00 31.29 32.50 3mgl h VAL 524 CO 0.09 0.42 0.45 0.50 0.02 0.00 0.00 177.57 179.05 3mgl h LYS 525 N 0.25 0.70 -0.53 1.57 1.63 -1.84 0.21 116.57 118.56 3mgl h LYS 525 Ca 0.04 -0.04 -0.04 0.00 -0.85 0.00 0.00 60.65 59.76 3mgl h LYS 525 Cb 0.76 -0.16 -0.02 0.00 -0.60 0.00 0.00 32.23 32.21 3mgl h LYS 525 CO 0.05 0.46 0.18 1.25 -3.45 0.00 0.00 179.45 177.94 3mgl h LEU 526 N 0.72 0.76 0.00 5.20 5.85 -0.86 -3.05 115.31 123.92 3mgl h LEU 526 Ca 0.41 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.94 3mgl h LEU 526 Cb 0.46 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.29 3mgl h LEU 526 CO -0.29 0.75 -0.91 -0.37 -0.34 0.00 0.00 178.44 177.28 3mgl h VAL 527 N 0.72 0.00 -0.05 1.05 -1.51 -1.27 -3.51 116.25 111.69 3mgl h VAL 527 Ca 0.17 -0.87 0.00 0.00 -1.23 0.00 0.00 66.70 64.78 3mgl h VAL 527 Cb 0.25 1.38 0.00 0.00 -2.13 0.00 0.00 31.29 30.79 3mgl h VAL 527 CO -0.01 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.94 3mgl n GLY 528 N 1.22 0.74 0.33 5.19 0.00 0.71 -4.60 105.19 108.79 3mgl n GLY 528 Ca 0.01 -1.26 0.15 0.00 0.00 0.00 0.00 46.02 44.91 3mgl n GLY 528 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3mgl h GLU 529 N 0.00 0.03 0.00 1.61 4.81 -1.85 0.56 114.58 119.74 3mgl h GLU 529 Ca 0.00 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3mgl h GLU 529 Cb 0.00 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.37 3mgl h GLU 529 CO 0.00 0.02 0.00 0.00 -0.73 0.00 0.00 179.01 178.30 3mgl n GLN 530 N -4.45 0.24 -0.14 1.92 0.00 -1.26 -2.91 117.38 110.77 3mgl n GLN 530 Ca 0.05 0.08 0.09 0.00 0.00 0.00 0.00 57.00 57.22 3mgl n GLN 530 Cb 0.39 -1.50 0.16 0.00 0.00 0.00 0.00 30.24 29.29 3mgl n GLN 530 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 3mgl n ASN 531 N -1.35 2.98 -4.56 2.61 3.02 0.19 -4.93 115.26 113.23 3mgl n ASN 531 Ca 0.09 -1.87 -0.34 0.00 -0.03 0.00 0.00 54.58 52.43 3mgl n ASN 531 Cb 0.21 -0.19 -0.11 0.00 -0.61 0.00 0.00 39.78 39.08 3mgl n ASN 531 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3mgl s VAL 532 N -1.23 4.27 -0.05 2.41 1.01 -1.15 -1.05 120.40 124.61 3mgl s VAL 532 Ca 0.29 -0.22 0.03 0.00 0.00 0.00 0.00 61.98 62.08 3mgl s VAL 532 Cb 0.17 -2.89 0.01 0.00 0.00 0.00 0.00 36.38 33.66 3mgl s VAL 532 CO 0.24 0.48 -0.13 -0.31 0.00 0.00 0.00 175.10 175.37 3mgl s TYR 533 N 0.33 1.46 0.50 5.22 2.02 0.95 -4.97 117.35 122.86 3mgl s TYR 533 Ca -0.01 -0.47 0.16 0.00 -0.37 0.00 0.00 57.07 56.39 3mgl s TYR 533 Cb -0.13 -1.03 1.21 0.00 -0.40 0.00 0.00 41.96 41.61 3mgl s TYR 533 CO 0.02 -0.20 2.09 -1.35 -1.57 0.00 0.00 175.55 174.54 3mgl h PRO 534 N 6.59 0.11 -3.96 -1.71 0.11 -1.94 -2.35 132.00 128.86 3mgl h PRO 534 Ca -0.32 -0.01 -0.21 0.00 0.11 0.00 0.00 66.00 65.58 3mgl h PRO 534 Cb 1.18 -0.03 -0.24 0.00 0.11 0.00 0.00 31.00 32.02 3mgl h PRO 534 CO 0.48 0.08 -0.71 0.08 -0.21 0.00 0.00 178.00 177.71 3mgl s VAL 535 N -5.15 0.12 0.24 3.15 1.01 -1.26 -2.70 120.40 115.81 3mgl s VAL 535 Ca -0.06 -0.56 -0.05 0.00 0.00 0.00 0.00 61.98 61.32 3mgl s VAL 535 Cb 0.18 -0.20 0.21 0.00 0.00 0.00 0.00 36.38 36.56 3mgl s VAL 535 CO 0.70 -0.27 1.74 0.15 0.00 0.00 0.00 175.10 177.41 3mgl h PHE 536 N 5.26 0.53 -0.93 5.22 3.57 -1.89 -2.44 116.94 126.26 3mgl h PHE 536 Ca -0.29 0.03 0.08 0.00 3.53 0.00 0.00 57.97 61.32 3mgl h PHE 536 Cb 1.21 -0.12 -0.07 0.00 2.79 0.00 0.00 35.95 39.75 3mgl h PHE 536 CO 0.55 0.10 0.58 1.49 -2.23 0.00 0.00 178.31 178.80 3mgl h GLU 537 N 0.47 0.98 -0.47 1.11 4.81 -1.97 -0.31 114.58 119.21 3mgl h GLU 537 Ca 0.40 -0.06 0.04 0.00 -0.13 0.00 0.00 59.36 59.61 3mgl h GLU 537 Cb 0.57 -0.22 -0.04 0.00 0.63 0.00 0.00 28.75 29.68 3mgl h GLU 537 CO -0.37 0.65 0.23 0.78 -0.73 0.00 0.00 179.01 179.57 3mgl h GLY 538 N 1.01 0.65 1.25 1.92 0.00 -1.85 -0.31 103.07 105.75 3mgl h GLY 538 Ca 0.42 -0.15 -0.10 0.00 0.00 0.00 0.00 47.33 47.50 3mgl h GLY 538 CO -0.20 0.10 -0.08 0.00 0.00 0.00 0.00 176.54 176.36 3mgl h ALA 539 N 1.26 0.93 -0.01 3.60 0.00 -1.24 -2.01 119.26 121.79 3mgl h ALA 539 Ca 0.21 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3mgl h ALA 539 Cb 0.13 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 3mgl h ALA 539 CO -0.15 0.63 -0.01 1.25 0.00 0.00 0.00 179.25 180.96 3mgl h LEU 540 N 0.80 0.03 -0.41 0.00 5.85 -0.87 -1.01 115.31 119.70 3mgl h LEU 540 Ca 0.14 -0.53 0.09 0.00 0.84 0.00 0.00 57.88 58.41 3mgl h LEU 540 Cb 0.59 -0.01 -0.09 0.00 0.37 0.00 0.00 40.66 41.52 3mgl h LEU 540 CO 0.04 0.56 -0.25 -1.28 -0.34 0.00 0.00 178.44 177.16 3mgl h SER 541 N -0.50 -0.86 0.03 1.25 0.87 -1.06 -0.30 113.55 113.00 3mgl h SER 541 Ca 0.00 0.17 -0.06 0.00 -1.23 0.00 0.00 61.79 60.67 3mgl h SER 541 Cb 0.55 0.43 -0.01 0.00 -0.44 0.00 0.00 62.40 62.93 3mgl h SER 541 CO 0.00 -0.27 -0.17 0.00 -0.53 0.00 0.00 176.83 175.86 3mgl h ALA 542 N 1.00 1.40 -0.11 6.23 0.00 -1.30 -1.77 119.26 124.70 3mgl h ALA 542 Ca 0.19 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 3mgl h ALA 542 Cb 0.49 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 3mgl h ALA 542 CO -0.52 0.41 -0.06 0.00 0.00 0.00 0.00 179.25 179.08 3mgl h ALA 543 N 1.57 0.16 -0.68 0.00 0.00 -0.59 -1.48 119.26 118.25 3mgl h ALA 543 Ca 0.05 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3mgl h ALA 543 Cb 0.46 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 3mgl h ALA 543 CO 0.03 -0.06 0.42 -0.07 0.00 0.00 0.00 179.25 179.58 3mgl h LEU 544 N -0.12 0.79 -0.08 0.00 3.38 -0.79 -1.32 115.31 117.18 3mgl h LEU 544 Ca 0.02 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 3mgl h LEU 544 Cb 0.53 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 3mgl h LEU 544 CO 0.02 0.60 -0.08 0.74 0.09 0.00 0.00 178.44 179.80 3mgl h THR 545 N 0.92 1.37 -0.60 0.22 2.02 -1.31 -2.03 112.91 113.51 3mgl h THR 545 Ca 0.25 -1.24 0.04 0.00 0.77 0.00 0.00 66.41 66.23 3mgl h THR 545 Cb -0.07 2.03 -0.05 0.00 -1.74 0.00 0.00 68.15 68.33 3mgl h THR 545 CO -0.05 0.35 0.34 -0.08 0.37 0.00 0.00 175.52 176.45 3mgl h GLU 546 N -0.24 0.63 -0.80 6.66 4.81 -1.07 -2.00 114.58 122.57 3mgl h GLU 546 Ca 0.01 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.21 3mgl h GLU 546 Cb 0.59 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 29.79 3mgl h GLU 546 CO 0.02 0.42 0.52 0.82 -0.73 0.00 0.00 179.01 180.06 3mgl h ILE 547 N 0.65 1.21 -0.24 2.32 2.04 -1.22 -2.94 117.51 119.33 3mgl h ILE 547 Ca 0.26 -0.38 -0.10 0.00 1.00 0.00 0.00 64.86 65.64 3mgl h ILE 547 Cb 0.11 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.22 3mgl h ILE 547 CO -0.15 0.20 -0.27 -0.33 0.00 0.00 0.00 178.15 177.61 3mgl h GLU 548 N 1.08 0.46 -3.07 2.37 5.08 -0.94 -3.33 114.58 116.23 3mgl h GLU 548 Ca 0.29 -0.17 -0.42 0.00 -1.00 0.00 0.00 59.36 58.06 3mgl h GLU 548 Cb -0.12 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.11 3mgl h GLU 548 CO -0.06 0.69 2.44 0.00 -1.00 0.00 0.00 179.01 181.07 3mgl n ALA 549 N -2.49 5.64 -1.47 3.43 0.00 -0.79 -5.11 120.51 119.72 3mgl n ALA 549 Ca -0.01 -2.33 0.00 0.00 0.00 0.00 0.00 53.44 51.11 3mgl n ALA 549 Cb 0.41 -2.97 0.00 0.00 0.00 0.00 0.00 19.45 16.89 3mgl n ALA 549 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44