#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iv3 s ILE 403 N 0.00 1.30 0.02 0.55 2.07 -1.26 -0.81 121.20 123.07 1iv3 s ILE 403 Ca 0.00 -1.65 -0.02 0.00 -1.41 0.00 0.00 60.65 57.57 1iv3 s ILE 403 Cb 0.00 -1.46 -0.01 0.00 0.13 0.00 0.00 42.46 41.12 1iv3 s ILE 403 CO 0.00 -0.38 0.02 -0.83 -1.91 0.00 0.00 174.94 171.84 1iv3 s GLY 404 N -2.32 0.19 -0.03 1.50 0.00 -0.81 -4.14 107.32 101.70 1iv3 s GLY 404 Ca 0.07 -0.47 0.01 0.00 0.00 0.00 0.00 44.72 44.33 1iv3 s GLY 404 CO 0.03 -0.57 -0.05 -0.47 0.00 0.00 0.00 173.10 172.04 1iv3 s TYR 405 N -1.51 0.72 0.08 1.90 5.04 -1.26 -0.85 117.35 121.47 1iv3 s TYR 405 Ca -0.15 -0.18 -0.04 0.00 -2.44 0.00 0.00 57.07 54.26 1iv3 s TYR 405 Cb -0.09 -0.58 -0.03 0.00 0.35 0.00 0.00 41.96 41.61 1iv3 s TYR 405 CO -0.01 -0.13 0.08 0.20 -1.34 0.00 0.00 175.55 174.35 1iv3 s GLY 406 N 0.55 0.41 0.04 8.97 0.00 -0.24 -4.36 107.32 112.69 1iv3 s GLY 406 Ca -0.07 -1.02 -0.01 0.00 0.00 0.00 0.00 44.72 43.61 1iv3 s GLY 406 CO 0.00 -1.12 -0.02 -0.54 0.00 0.00 0.00 173.10 171.42 1iv3 s GLU 407 N -3.92 0.55 0.02 2.90 2.02 -1.26 -0.53 118.70 118.48 1iv3 s GLU 407 Ca 0.09 -1.07 -0.22 0.00 0.02 0.00 0.00 54.97 53.80 1iv3 s GLU 407 Cb 0.07 0.19 0.05 0.00 0.10 0.00 0.00 34.13 34.54 1iv3 s GLU 407 CO -0.08 -0.10 0.50 0.34 0.02 0.00 0.00 175.26 175.93 1iv3 s ASP 408 N -2.58 -0.41 0.02 -0.19 2.15 0.38 -4.41 116.67 111.63 1iv3 s ASP 408 Ca 0.02 0.22 -0.23 0.00 0.43 0.00 0.00 52.55 52.99 1iv3 s ASP 408 Cb 0.04 0.46 0.05 0.00 -0.30 0.00 0.00 42.92 43.17 1iv3 s ASP 408 CO -0.08 -0.65 0.52 -0.94 -0.17 0.00 0.00 175.17 173.84 1iv3 s SER 409 N -1.76 -0.44 -0.07 -0.34 1.04 -1.26 -0.53 113.70 110.34 1iv3 s SER 409 Ca -0.07 0.26 -0.11 0.00 0.48 0.00 0.00 55.95 56.51 1iv3 s SER 409 Cb -0.01 0.47 0.02 0.00 0.10 0.00 0.00 66.02 66.60 1iv3 s SER 409 CO 0.01 -0.66 0.27 -1.00 0.98 0.00 0.00 173.24 172.84 1iv3 s HIS 410 N -2.07 -0.24 0.44 5.02 3.76 -0.61 -4.99 115.29 116.60 1iv3 s HIS 410 Ca -0.07 0.54 -0.26 0.00 -0.15 0.00 0.00 55.06 55.11 1iv3 s HIS 410 Cb -0.01 0.08 -0.09 0.00 1.11 0.00 0.00 32.58 33.68 1iv3 s HIS 410 CO 0.01 -0.22 1.45 0.50 -0.85 0.00 0.00 174.74 175.63 1iv3 s ARG 411 N -0.37 3.76 -0.09 1.40 3.52 -1.26 -0.56 118.95 125.34 1iv3 s ARG 411 Ca -0.05 2.47 -0.01 0.00 -0.13 0.00 0.00 55.73 58.02 1iv3 s ARG 411 Cb -0.03 -2.72 -0.03 0.00 -1.56 0.00 0.00 34.95 30.61 1iv3 s ARG 411 CO 0.01 -0.78 -0.05 -0.51 -0.81 0.00 0.00 175.30 173.16 1iv3 s LEU 412 N -2.61 3.24 0.16 -0.88 1.43 0.66 0.14 118.68 120.83 1iv3 s LEU 412 Ca 0.59 -0.02 0.06 0.00 -1.03 0.00 0.00 54.13 53.73 1iv3 s LEU 412 Cb -0.45 -1.73 -0.04 0.00 0.03 0.00 0.00 46.19 44.00 1iv3 s LEU 412 CO 0.58 0.32 -0.13 -1.61 0.23 0.00 0.00 176.35 175.75 1iv3 s GLU 413 N -0.56 1.14 0.49 1.70 2.02 0.44 -4.76 118.70 119.17 1iv3 s GLU 413 Ca 0.09 -1.42 -0.23 0.00 0.02 0.00 0.00 54.97 53.42 1iv3 s GLU 413 Cb -0.12 -0.89 -0.06 0.00 0.10 0.00 0.00 34.13 33.16 1iv3 s GLU 413 CO 0.02 0.15 1.32 -1.21 0.02 0.00 0.00 175.26 175.55 1iv3 s GLU 414 N -3.33 3.47 -1.57 1.61 2.02 -1.26 -1.13 118.70 118.51 1iv3 s GLU 414 Ca 0.16 2.14 0.00 0.00 0.02 0.00 0.00 54.97 57.29 1iv3 s GLU 414 Cb -0.01 -2.42 0.00 0.00 0.10 0.00 0.00 34.13 31.80 1iv3 s GLU 414 CO 0.03 -0.90 0.00 0.41 0.02 0.00 0.00 175.26 174.83 1iv3 n GLY 415 N 0.63 -0.36 3.41 -1.39 0.00 -1.06 -4.87 105.19 101.56 1iv3 n GLY 415 Ca 0.08 -0.12 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 1iv3 n GLY 415 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1iv3 s ARG 416 N -4.90 1.48 0.34 1.61 0.52 -1.20 -4.96 118.95 111.85 1iv3 s ARG 416 Ca 0.00 -1.34 -0.27 0.00 -0.52 0.00 0.00 55.73 53.60 1iv3 s ARG 416 Cb 0.00 -1.93 -0.09 0.00 0.52 0.00 0.00 34.95 33.44 1iv3 s ARG 416 CO 0.00 0.45 1.14 -1.25 0.02 0.00 0.00 175.30 175.66 1iv3 s PRO 417 N -2.13 4.36 -0.28 3.54 0.04 -1.26 -1.94 135.00 137.32 1iv3 s PRO 417 Ca 0.15 1.82 -0.11 0.00 0.04 0.00 0.00 61.00 62.90 1iv3 s PRO 417 Cb -0.10 -2.92 -0.05 0.00 0.04 0.00 0.00 34.50 31.47 1iv3 s PRO 417 CO 0.07 -0.05 0.21 -1.17 0.04 0.00 0.00 177.00 176.10 1iv3 s LEU 418 N -1.99 4.05 -0.16 -3.56 2.96 -1.26 -3.15 118.68 115.58 1iv3 s LEU 418 Ca 0.51 -0.01 -0.03 0.00 -0.22 0.00 0.00 54.13 54.37 1iv3 s LEU 418 Cb -0.31 -2.14 -0.03 0.00 0.50 0.00 0.00 46.19 44.21 1iv3 s LEU 418 CO 0.40 -0.07 -0.05 -0.31 -1.32 0.00 0.00 176.35 175.00 1iv3 s TYR 419 N 1.78 3.00 -0.08 5.38 2.02 -1.26 -0.39 117.35 127.80 1iv3 s TYR 419 Ca 0.07 -0.35 -0.06 0.00 -0.37 0.00 0.00 57.07 56.36 1iv3 s TYR 419 Cb -0.16 -1.95 0.03 0.00 -0.40 0.00 0.00 41.96 39.47 1iv3 s TYR 419 CO 0.11 -0.07 0.20 -0.51 -1.57 0.00 0.00 175.55 173.71 1iv3 s LEU 420 N 0.40 1.01 -1.56 -1.29 1.43 -0.18 -4.03 118.68 114.47 1iv3 s LEU 420 Ca -0.04 0.41 0.00 0.00 -1.03 0.00 0.00 54.13 53.46 1iv3 s LEU 420 Cb -0.14 0.65 0.00 0.00 0.03 0.00 0.00 46.19 46.72 1iv3 s LEU 420 CO 0.03 -0.10 0.00 0.00 0.23 0.00 0.00 176.35 176.51 1iv3 n GLY 422 N -0.68 0.52 3.57 0.00 0.00 -1.26 -4.34 105.19 103.00 1iv3 n GLY 422 Ca -0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.52 1iv3 n GLY 422 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1iv3 s LEU 423 N 0.00 3.06 -0.22 0.99 1.43 -0.44 -5.06 118.68 118.45 1iv3 s LEU 423 Ca 0.00 -0.27 -0.26 0.00 -1.03 0.00 0.00 54.13 52.57 1iv3 s LEU 423 Cb 0.00 -1.80 -0.00 0.00 0.03 0.00 0.00 46.19 44.41 1iv3 s LEU 423 CO 0.00 0.24 0.89 -0.22 0.23 0.00 0.00 176.35 177.48 1iv3 s LEU 424 N -1.74 4.11 -0.20 1.79 0.20 -1.26 -1.01 118.68 120.57 1iv3 s LEU 424 Ca 0.19 1.16 -0.06 0.00 0.69 0.00 0.00 54.13 56.11 1iv3 s LEU 424 Cb -0.11 -3.30 -0.03 0.00 -0.43 0.00 0.00 46.19 42.32 1iv3 s LEU 424 CO 0.10 -0.53 0.04 -0.63 -0.29 0.00 0.00 176.35 175.04 1iv3 s ILE 425 N 2.77 4.36 0.11 6.68 -1.09 0.48 -5.00 121.20 129.50 1iv3 s ILE 425 Ca 0.38 -0.18 -0.34 0.00 -2.23 0.00 0.00 60.65 58.29 1iv3 s ILE 425 Cb -0.16 -2.98 -0.13 0.00 -1.58 0.00 0.00 42.46 37.61 1iv3 s ILE 425 CO 0.08 0.42 1.66 -2.65 -1.23 0.00 0.00 174.94 173.23 1iv3 n PRO 426 N 4.08 2.21 -3.51 2.79 -0.02 -1.26 -4.23 135.00 135.07 1iv3 n PRO 426 Ca -0.17 0.80 -0.14 0.00 -2.02 0.00 0.00 63.50 61.98 1iv3 n PRO 426 Cb 0.52 -2.60 -0.04 0.00 -0.02 0.00 0.00 33.50 31.36 1iv3 n PRO 426 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1iv3 s SER 427 N 1.72 -0.53 0.02 2.55 0.15 -1.26 -4.87 113.70 111.48 1iv3 s SER 427 Ca 0.82 0.39 0.27 0.00 0.70 0.00 0.00 55.95 58.13 1iv3 s SER 427 Cb -0.67 0.47 0.80 0.00 -1.71 0.00 0.00 66.02 64.92 1iv3 s SER 427 CO 0.41 -0.62 1.63 -0.81 1.20 0.00 0.00 173.24 175.05 1iv3 n PRO 428 N 0.43 0.04 -4.22 5.44 -0.04 -1.26 -4.85 135.00 130.56 1iv3 n PRO 428 Ca -0.15 0.02 -0.18 0.00 -0.04 0.00 0.00 63.50 63.16 1iv3 n PRO 428 Cb 0.60 -1.54 -0.11 0.00 -0.04 0.00 0.00 33.50 32.41 1iv3 n PRO 428 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1iv3 s VAL 429 N -3.02 1.23 0.19 0.52 -7.23 -1.26 -2.55 120.40 108.27 1iv3 s VAL 429 Ca 0.12 -1.61 -0.01 0.00 -1.81 0.00 0.00 61.98 58.66 1iv3 s VAL 429 Cb 0.17 -1.41 -0.04 0.00 0.56 0.00 0.00 36.38 35.67 1iv3 s VAL 429 CO 0.63 -0.39 0.11 -0.83 -0.31 0.00 0.00 175.10 174.30 1iv3 s GLY 430 N -2.29 1.34 0.37 2.32 0.00 -0.28 -4.07 107.32 104.70 1iv3 s GLY 430 Ca 0.06 -1.65 -0.27 0.00 0.00 0.00 0.00 44.72 42.86 1iv3 s GLY 430 CO 0.02 -1.40 1.31 0.00 0.00 0.00 0.00 173.10 173.02 1iv3 s ALA 431 N -4.10 3.37 -0.90 3.20 0.00 -1.19 0.17 121.76 122.31 1iv3 s ALA 431 Ca 0.35 1.25 -0.19 0.00 0.00 0.00 0.00 51.96 53.37 1iv3 s ALA 431 Cb 0.07 -3.48 0.13 0.00 0.00 0.00 0.00 23.12 19.84 1iv3 s ALA 431 CO 0.09 -0.74 1.10 -1.17 0.00 0.00 0.00 175.76 175.04 1iv3 s LEU 432 N -2.14 5.04 0.00 0.00 2.96 0.38 -4.61 118.68 120.32 1iv3 s LEU 432 Ca 0.53 -1.96 0.00 0.00 -0.22 0.00 0.00 54.13 52.48 1iv3 s LEU 432 Cb -0.39 -2.39 0.00 0.00 0.50 0.00 0.00 46.19 43.91 1iv3 s LEU 432 CO 0.51 -1.08 0.00 0.00 -1.32 0.00 0.00 176.35 174.45 1iv3 n ALA 433 N 6.58 0.00 -0.02 5.97 0.00 -1.26 -4.43 120.51 127.35 1iv3 n ALA 433 Ca 0.21 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.63 1iv3 n ALA 433 Cb 0.49 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.91 1iv3 n ALA 433 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1iv3 n HIS 434 N 0.00 0.00 -2.01 0.00 8.25 -1.26 -5.02 115.22 115.18 1iv3 n HIS 434 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1iv3 n HIS 434 Cb 0.00 -0.19 0.00 0.00 1.12 0.00 0.00 29.99 30.92 1iv3 n HIS 434 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1iv3 n SER 435 N -2.15 0.00 0.00 0.41 3.41 -1.26 -4.89 113.62 109.14 1iv3 n SER 435 Ca -0.06 -0.48 0.14 0.00 -0.26 0.00 0.00 58.87 58.21 1iv3 n SER 435 Cb 0.63 0.00 0.82 0.00 -0.26 0.00 0.00 64.21 65.39 1iv3 n SER 435 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1iv3 n ASP 436 N -1.43 0.00 -2.55 4.04 3.85 -1.26 -4.90 116.55 114.30 1iv3 n ASP 436 Ca 0.00 -0.78 -0.17 0.00 -0.71 0.00 0.00 54.79 53.13 1iv3 n ASP 436 Cb 0.00 -0.04 -0.00 0.00 -1.35 0.00 0.00 41.12 39.73 1iv3 n ASP 436 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1iv3 n GLY 437 N 0.80 -0.50 3.56 6.12 0.00 -1.26 -4.33 105.19 109.57 1iv3 n GLY 437 Ca 0.20 0.02 -0.33 0.00 0.00 0.00 0.00 46.02 45.91 1iv3 n GLY 437 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1iv3 s ASP 438 N -2.16 5.58 0.38 1.61 -1.08 -1.26 -4.84 116.67 114.91 1iv3 s ASP 438 Ca 0.06 -0.76 0.07 0.00 -0.52 0.00 0.00 52.55 51.40 1iv3 s ASP 438 Cb -0.03 -2.56 0.80 0.00 -1.46 0.00 0.00 42.92 39.67 1iv3 s ASP 438 CO 0.07 -2.32 1.97 0.00 0.52 0.00 0.00 175.17 175.42 1iv3 h ALA 439 N 11.23 1.76 -0.23 3.66 0.00 -1.91 -0.91 119.26 132.85 1iv3 h ALA 439 Ca 0.07 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1iv3 h ALA 439 Cb 1.03 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1iv3 h ALA 439 CO 1.27 0.14 -0.07 0.00 0.00 0.00 0.00 179.25 180.60 1iv3 h ALA 440 N 1.64 0.32 -0.64 0.00 0.00 -1.89 -1.19 119.26 117.49 1iv3 h ALA 440 Ca 0.29 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1iv3 h ALA 440 Cb 0.26 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1iv3 h ALA 440 CO -0.09 0.12 0.11 0.52 0.00 0.00 0.00 179.25 179.92 1iv3 h MET 441 N 0.18 1.04 -0.35 0.00 2.86 -1.81 -1.23 114.93 115.63 1iv3 h MET 441 Ca 0.06 -0.26 -0.04 0.00 -2.06 0.00 0.00 59.70 57.40 1iv3 h MET 441 Cb 0.54 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.05 1iv3 h MET 441 CO 0.03 0.95 0.08 0.45 1.06 0.00 0.00 176.91 179.47 1iv3 h HIS 442 N 0.98 0.59 -0.67 -0.22 3.86 -1.04 0.14 115.15 118.79 1iv3 h HIS 442 Ca 0.20 -0.07 -0.02 0.00 -1.16 0.00 0.00 60.37 59.32 1iv3 h HIS 442 Cb 0.41 -0.17 -0.03 0.00 1.06 0.00 0.00 27.41 28.68 1iv3 h HIS 442 CO 0.03 0.60 0.35 0.00 0.86 0.00 0.00 177.93 179.77 1iv3 h ALA 443 N 0.92 0.86 -0.63 2.45 0.00 -1.06 -0.35 119.26 121.45 1iv3 h ALA 443 Ca 0.11 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1iv3 h ALA 443 Cb 0.32 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1iv3 h ALA 443 CO 0.00 0.39 0.12 -0.07 0.00 0.00 0.00 179.25 179.69 1iv3 h LEU 444 N 0.91 0.99 -0.18 0.00 3.38 -0.86 0.33 115.31 119.89 1iv3 h LEU 444 Ca 0.23 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1iv3 h LEU 444 Cb 0.06 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 1iv3 h LEU 444 CO -0.04 0.99 0.07 0.74 0.09 0.00 0.00 178.44 180.29 1iv3 h THR 445 N 0.95 1.17 -0.99 0.22 2.02 -0.35 -1.31 112.91 114.61 1iv3 h THR 445 Ca 0.19 -0.50 0.01 0.00 0.77 0.00 0.00 66.41 66.88 1iv3 h THR 445 Cb 0.41 1.16 -0.05 0.00 -1.74 0.00 0.00 68.15 67.94 1iv3 h THR 445 CO 0.01 0.16 0.66 0.44 0.37 0.00 0.00 175.52 177.16 1iv3 h ASP 446 N 0.13 1.14 -0.70 4.18 3.32 -0.91 -1.26 116.42 122.31 1iv3 h ASP 446 Ca 0.06 -0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.06 1iv3 h ASP 446 Cb 0.19 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.42 1iv3 h ASP 446 CO -0.00 0.82 0.34 0.00 -1.72 0.00 0.00 179.24 178.68 1iv3 h ALA 447 N 1.38 0.91 0.15 3.45 0.00 -0.46 0.13 119.26 124.81 1iv3 h ALA 447 Ca 0.36 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1iv3 h ALA 447 Cb -0.15 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.36 1iv3 h ALA 447 CO -0.08 0.47 -0.07 -0.07 0.00 0.00 0.00 179.25 179.49 1iv3 h LEU 448 N 0.98 -0.17 -0.53 0.00 3.38 -0.83 -1.97 115.31 116.17 1iv3 h LEU 448 Ca 0.24 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.25 1iv3 h LEU 448 Cb 0.11 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 1iv3 h LEU 448 CO -0.03 -0.12 0.29 -0.07 0.09 0.00 0.00 178.44 178.60 1iv3 h LEU 449 N -0.20 0.44 -1.21 1.67 3.38 -0.94 -2.45 115.31 116.00 1iv3 h LEU 449 Ca -0.02 0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.99 1iv3 h LEU 449 Cb 0.16 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 1iv3 h LEU 449 CO 0.03 0.31 0.54 -1.28 0.09 0.00 0.00 178.44 178.13 1iv3 h SER 450 N 0.57 0.91 0.00 -0.43 0.87 -0.65 -0.82 113.55 113.99 1iv3 h SER 450 Ca 0.23 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.77 1iv3 h SER 450 Cb 0.10 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 61.84 1iv3 h SER 450 CO -0.14 0.64 0.00 0.00 -0.53 0.00 0.00 176.83 176.81 1iv3 h ALA 451 N 1.51 1.00 0.00 6.23 0.00 -0.85 -1.43 119.26 125.72 1iv3 h ALA 451 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1iv3 h ALA 451 Cb -0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1iv3 h ALA 451 CO -0.08 -0.00 -0.01 0.66 0.00 0.00 0.00 179.25 179.82 1iv3 n TYR 452 N -2.73 0.00 -1.54 0.00 4.02 -0.68 -4.76 117.16 111.47 1iv3 n TYR 452 Ca -0.02 -0.58 -0.09 0.00 -0.01 0.00 0.00 57.90 57.20 1iv3 n TYR 452 Cb 0.06 -0.07 -0.03 0.00 -0.02 0.00 0.00 39.34 39.28 1iv3 n TYR 452 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1iv3 n GLY 453 N -0.67 0.74 0.12 2.72 0.00 -0.54 -4.88 105.19 102.68 1iv3 n GLY 453 Ca 0.03 -0.60 0.13 0.00 0.00 0.00 0.00 46.02 45.59 1iv3 n GLY 453 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1iv3 n LEU 454 N -1.10 0.72 0.00 0.99 4.77 -0.40 -5.00 117.00 116.97 1iv3 n LEU 454 Ca -0.09 -0.10 0.00 0.00 -0.03 0.00 0.00 56.01 55.79 1iv3 n LEU 454 Cb 0.38 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 1iv3 n LEU 454 CO 0.13 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 176.95 1iv3 n GLY 455 N 1.40 0.16 3.64 -0.72 0.00 -1.26 -4.93 105.19 103.49 1iv3 n GLY 455 Ca 0.10 -1.78 -0.12 0.00 0.00 0.00 0.00 46.02 44.22 1iv3 n GLY 455 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1iv3 s ASP 456 N -4.00 0.55 0.31 1.61 1.47 -1.26 -4.15 116.67 111.21 1iv3 s ASP 456 Ca 0.00 -1.37 0.13 0.00 1.18 0.00 0.00 52.55 52.49 1iv3 s ASP 456 Cb 0.00 0.77 0.50 0.00 -0.34 0.00 0.00 42.92 43.85 1iv3 s ASP 456 CO 0.00 -1.52 1.68 0.16 0.68 0.00 0.00 175.17 176.16 1iv3 h ILE 457 N 2.04 1.27 -0.36 2.11 3.07 -1.94 -0.56 117.51 123.14 1iv3 h ILE 457 Ca -0.31 -1.83 -0.04 0.00 1.55 0.00 0.00 64.86 64.23 1iv3 h ILE 457 Cb 1.24 2.02 -0.02 0.00 -0.27 0.00 0.00 36.82 39.79 1iv3 h ILE 457 CO 0.40 0.51 0.03 1.23 -1.05 0.00 0.00 178.15 179.27 1iv3 h GLY 458 N 1.79 0.59 0.18 0.16 0.00 -1.97 0.35 103.07 104.18 1iv3 h GLY 458 Ca -0.01 -0.34 -0.00 0.00 0.00 0.00 0.00 47.33 46.99 1iv3 h GLY 458 CO 0.07 0.32 -0.00 -2.00 0.00 0.00 0.00 176.54 174.92 1iv3 h LEU 459 N 0.53 -0.01 0.00 3.11 5.85 -1.68 -3.35 115.31 119.77 1iv3 h LEU 459 Ca 0.12 -0.79 -0.07 0.00 0.84 0.00 0.00 57.88 57.97 1iv3 h LEU 459 Cb 0.29 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 1iv3 h LEU 459 CO 0.01 0.80 -0.65 -0.07 -0.34 0.00 0.00 178.44 178.18 1iv3 h LEU 460 N -0.83 0.00 -5.44 2.25 3.38 -1.15 -3.37 115.31 110.15 1iv3 h LEU 460 Ca -0.00 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.41 1iv3 h LEU 460 Cb 0.80 0.00 -0.42 0.00 0.09 0.00 0.00 40.66 41.13 1iv3 h LEU 460 CO 0.00 0.31 -0.77 0.49 0.09 0.00 0.00 178.44 178.56 1iv3 n PHE 461 N -3.03 3.14 -2.38 1.13 3.72 0.12 -5.06 117.46 115.11 1iv3 n PHE 461 Ca -0.00 -3.94 -0.40 0.00 -0.05 0.00 0.00 57.45 53.05 1iv3 n PHE 461 Cb 0.67 -0.47 -0.04 0.00 -0.94 0.00 0.00 39.48 38.71 1iv3 n PHE 461 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1iv3 s PRO 462 N -3.24 4.56 0.50 -1.08 0.04 -1.26 -4.77 135.00 129.76 1iv3 s PRO 462 Ca 0.47 1.91 0.18 0.00 0.04 0.00 0.00 61.00 63.60 1iv3 s PRO 462 Cb 0.30 -3.16 1.24 0.00 0.04 0.00 0.00 34.50 32.92 1iv3 s PRO 462 CO -0.13 0.10 2.09 0.38 0.04 0.00 0.00 177.00 179.48 1iv3 h ASP 463 N 3.79 0.00 -0.40 6.66 3.04 -1.93 -1.72 116.42 125.87 1iv3 h ASP 463 Ca -0.47 0.00 0.12 0.00 -3.24 0.00 0.00 57.03 53.43 1iv3 h ASP 463 Cb 1.22 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 39.49 1iv3 h ASP 463 CO 0.67 0.08 0.31 0.71 -2.04 0.00 0.00 179.24 178.98 1iv3 h THR 464 N 0.00 0.69 -3.56 1.15 1.35 -1.98 -3.38 112.91 107.17 1iv3 h THR 464 Ca -0.00 0.00 -0.52 0.00 -0.55 0.00 0.00 66.41 65.34 1iv3 h THR 464 Cb 0.16 0.78 0.02 0.00 -1.73 0.00 0.00 68.15 67.38 1iv3 h THR 464 CO 0.01 0.00 0.56 -0.62 -0.25 0.00 0.00 175.52 175.22 1iv3 s ASP 465 N -6.15 7.07 0.10 5.36 -1.08 -0.65 -4.93 116.67 116.38 1iv3 s ASP 465 Ca -0.05 2.30 -0.29 0.00 -0.52 0.00 0.00 52.55 53.99 1iv3 s ASP 465 Cb 0.18 -2.61 -0.11 0.00 -1.46 0.00 0.00 42.92 38.92 1iv3 s ASP 465 CO 0.68 -0.36 1.63 -0.65 0.52 0.00 0.00 175.17 176.98 1iv3 h PRO 466 N 4.85 -0.56 0.00 4.34 0.11 -1.88 -3.18 132.00 135.69 1iv3 h PRO 466 Ca -0.45 0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1iv3 h PRO 466 Cb 1.21 0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.45 1iv3 h PRO 466 CO 0.73 -0.37 0.42 0.00 -0.21 0.00 0.00 178.00 178.57 1iv3 h ARG 467 N -0.58 0.00 0.00 1.05 3.08 -1.91 -0.51 114.38 115.51 1iv3 h ARG 467 Ca 0.00 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.91 1iv3 h ARG 467 Cb 0.55 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.57 1iv3 h ARG 467 CO -0.09 0.00 -2.01 0.91 -1.07 0.00 0.00 179.97 177.70 1iv3 n TRP 468 N -2.12 0.00 -2.00 3.04 5.03 -1.20 -4.79 117.44 115.40 1iv3 n TRP 468 Ca -0.01 0.00 -0.42 0.00 3.03 0.00 0.00 57.50 60.10 1iv3 n TRP 468 Cb 0.44 -0.62 -0.03 0.00 -1.03 0.00 0.00 31.31 30.07 1iv3 n TRP 468 CO 0.00 0.00 0.00 0.50 -0.03 0.00 0.00 177.69 178.16 1iv3 s ARG 469 N -2.92 4.13 0.00 -0.99 3.52 -0.20 -1.88 118.95 120.60 1iv3 s ARG 469 Ca -0.08 2.16 0.00 0.00 -0.13 0.00 0.00 55.73 57.68 1iv3 s ARG 469 Cb 0.09 -4.01 0.00 0.00 -1.56 0.00 0.00 34.95 29.48 1iv3 s ARG 469 CO 0.76 -0.91 0.00 0.41 -0.81 0.00 0.00 175.30 174.74 1iv3 n GLY 470 N 4.22 2.15 3.77 8.12 0.00 -1.26 -5.03 105.19 117.16 1iv3 n GLY 470 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 1iv3 n GLY 470 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1iv3 s GLU 471 N -0.03 4.41 0.59 1.61 0.41 -0.79 -4.99 118.70 119.92 1iv3 s GLU 471 Ca 0.00 1.97 -0.17 0.00 -0.41 0.00 0.00 54.97 56.37 1iv3 s GLU 471 Cb 0.00 -3.04 -0.04 0.00 -1.78 0.00 0.00 34.13 29.27 1iv3 s GLU 471 CO 0.00 -0.05 1.08 1.03 -0.49 0.00 0.00 175.26 176.83 1iv3 s ARG 472 N -1.75 3.24 0.56 1.61 1.81 -1.26 -4.59 118.95 118.57 1iv3 s ARG 472 Ca 0.49 1.32 0.37 0.00 -1.72 0.00 0.00 55.73 56.19 1iv3 s ARG 472 Cb -0.35 -2.01 1.78 0.00 -0.45 0.00 0.00 34.95 33.92 1iv3 s ARG 472 CO 0.45 -0.89 2.10 0.77 -0.68 0.00 0.00 175.30 177.06 1iv3 h SER 473 N 0.56 0.00 0.27 0.23 0.02 -1.96 -1.61 113.55 111.07 1iv3 h SER 473 Ca -0.48 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.47 1iv3 h SER 473 Cb 1.23 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.77 1iv3 h SER 473 CO 0.57 0.00 -0.03 1.05 -1.14 0.00 0.00 176.83 177.27 1iv3 h GLU 474 N 0.00 0.00 -0.45 3.45 4.11 -1.97 -1.49 114.58 118.24 1iv3 h GLU 474 Ca 0.00 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.31 1iv3 h GLU 474 Cb 0.25 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 1iv3 h GLU 474 CO 0.00 0.03 -0.18 0.28 0.07 0.00 0.00 179.01 179.21 1iv3 h VAL 475 N 0.00 1.27 -0.46 -1.06 2.07 -1.66 0.29 116.25 116.71 1iv3 h VAL 475 Ca -0.00 -1.33 -0.06 0.00 0.82 0.00 0.00 66.70 66.13 1iv3 h VAL 475 Cb 0.18 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 1iv3 h VAL 475 CO 0.00 0.45 0.06 -0.26 0.02 0.00 0.00 177.57 177.84 1iv3 h PHE 476 N 0.76 0.83 -0.45 1.57 0.04 -1.46 -1.70 116.94 116.52 1iv3 h PHE 476 Ca 0.11 -0.12 0.01 0.00 2.80 0.00 0.00 57.97 60.76 1iv3 h PHE 476 Cb 0.75 -0.22 -0.02 0.00 2.20 0.00 0.00 35.95 38.65 1iv3 h PHE 476 CO 0.05 0.78 0.29 1.25 -0.60 0.00 0.00 178.31 180.09 1iv3 h LEU 477 N 0.63 0.50 -0.70 1.54 5.85 -1.29 -1.16 115.31 120.69 1iv3 h LEU 477 Ca 0.14 -0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.75 1iv3 h LEU 477 Cb 0.41 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 1iv3 h LEU 477 CO 0.01 0.36 -0.44 0.03 -0.34 0.00 0.00 178.44 178.06 1iv3 h ARG 478 N 0.60 0.00 -0.17 1.25 -0.00 -0.79 0.10 114.38 115.37 1iv3 h ARG 478 Ca 0.17 0.00 -0.18 0.00 -0.50 0.00 0.00 59.98 59.47 1iv3 h ARG 478 Cb -0.05 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 29.91 1iv3 h ARG 478 CO -0.05 0.44 -0.63 1.49 0.00 0.00 0.00 179.97 181.23 1iv3 h GLU 479 N 0.00 0.60 -0.65 0.04 4.57 -1.06 0.13 114.58 118.20 1iv3 h GLU 479 Ca -0.00 -0.42 -0.03 0.00 -1.18 0.00 0.00 59.36 57.72 1iv3 h GLU 479 Cb 1.05 0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 29.68 1iv3 h GLU 479 CO 0.06 1.04 0.27 0.00 -1.18 0.00 0.00 179.01 179.20 1iv3 h ALA 480 N 0.86 0.84 -0.57 2.92 0.00 -0.84 0.25 119.26 122.71 1iv3 h ALA 480 Ca -0.01 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.78 1iv3 h ALA 480 Cb 1.21 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.70 1iv3 h ALA 480 CO 0.12 0.44 0.31 0.52 0.00 0.00 0.00 179.25 180.64 1iv3 h MET 481 N 0.90 0.58 -0.71 0.00 2.86 -0.81 -0.60 114.93 117.15 1iv3 h MET 481 Ca 0.22 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.82 1iv3 h MET 481 Cb 0.18 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.68 1iv3 h MET 481 CO -0.02 0.38 0.43 -0.09 1.06 0.00 0.00 176.91 178.67 1iv3 h ARG 482 N 0.60 0.97 -0.39 1.72 2.43 -0.16 -1.61 114.38 117.93 1iv3 h ARG 482 Ca 0.25 -0.09 -0.04 0.00 -0.81 0.00 0.00 59.98 59.29 1iv3 h ARG 482 Cb 0.13 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 1iv3 h ARG 482 CO -0.15 0.69 0.10 -0.07 -1.51 0.00 0.00 179.97 179.03 1iv3 h LEU 483 N 0.97 0.59 -0.28 3.80 3.38 -0.37 -1.56 115.31 121.85 1iv3 h LEU 483 Ca 0.26 -0.22 -0.21 0.00 0.09 0.00 0.00 57.88 57.80 1iv3 h LEU 483 Cb -0.03 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 1iv3 h LEU 483 CO -0.05 0.66 -0.83 -0.37 0.09 0.00 0.00 178.44 177.94 1iv3 h VAL 484 N 0.49 1.39 -0.88 1.22 -1.51 -0.97 -3.02 116.25 112.97 1iv3 h VAL 484 Ca 0.12 -2.29 0.06 0.00 -1.23 0.00 0.00 66.70 63.37 1iv3 h VAL 484 Cb 0.29 2.25 -0.06 0.00 -2.13 0.00 0.00 31.29 31.65 1iv3 h VAL 484 CO -0.00 0.69 0.55 -0.33 -1.23 0.00 0.00 177.57 177.25 1iv3 h GLU 485 N 0.27 0.98 0.00 5.19 5.08 -1.29 0.11 114.58 124.92 1iv3 h GLU 485 Ca -0.05 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1iv3 h GLU 485 Cb 1.44 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1iv3 h GLU 485 CO 0.14 0.65 0.00 0.00 -1.00 0.00 0.00 179.01 178.80 1iv3 h ALA 486 N 1.41 1.00 -0.73 3.43 0.00 -1.16 -0.78 119.26 122.44 1iv3 h ALA 486 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1iv3 h ALA 486 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1iv3 h ALA 486 CO -0.17 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.62 1iv3 n ARG 487 N -2.63 3.01 -0.25 0.00 1.74 0.27 -4.92 116.66 113.88 1iv3 n ARG 487 Ca -0.00 -2.75 0.00 0.00 -0.77 0.00 0.00 57.85 54.33 1iv3 n ARG 487 Cb 0.17 -1.67 0.00 0.00 -1.02 0.00 0.00 32.46 29.94 1iv3 n ARG 487 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1iv3 n GLY 488 N 1.55 0.72 3.77 -0.13 0.00 -0.30 -5.05 105.19 105.75 1iv3 n GLY 488 Ca 0.25 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.88 1iv3 n GLY 488 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iv3 s ALA 489 N -2.31 3.33 -0.31 4.61 0.00 -0.45 -4.97 121.76 121.67 1iv3 s ALA 489 Ca 0.00 1.13 0.02 0.00 0.00 0.00 0.00 51.96 53.12 1iv3 s ALA 489 Cb 0.00 -3.44 0.09 0.00 0.00 0.00 0.00 23.12 19.77 1iv3 s ALA 489 CO 0.00 -0.60 0.03 0.15 0.00 0.00 0.00 175.76 175.33 1iv3 s LYS 490 N -2.01 1.39 0.18 0.00 3.01 -1.26 -4.40 119.74 116.65 1iv3 s LYS 490 Ca 0.53 -1.48 -0.32 0.00 -1.01 0.00 0.00 55.97 53.68 1iv3 s LYS 490 Cb -0.36 -2.78 -0.12 0.00 -1.01 0.00 0.00 37.83 33.56 1iv3 s LYS 490 CO 0.47 -0.86 1.70 -0.11 0.51 0.00 0.00 175.35 177.06 1iv3 n LEU 491 N 4.48 3.75 -0.03 3.17 7.94 -1.26 -0.39 117.00 134.66 1iv3 n LEU 491 Ca -0.02 1.06 -0.02 0.00 -1.11 0.00 0.00 56.01 55.92 1iv3 n LEU 491 Cb 0.42 -1.53 -0.07 0.00 0.53 0.00 0.00 43.42 42.77 1iv3 n LEU 491 CO 0.19 0.05 -0.75 -0.11 -1.11 0.00 0.00 177.39 175.66 1iv3 n LEU 492 N 4.09 0.00 -3.58 -1.96 7.94 0.24 -4.86 117.00 118.87 1iv3 n LEU 492 Ca 0.17 0.00 -0.12 0.00 -1.11 0.00 0.00 56.01 54.95 1iv3 n LEU 492 Cb 0.33 0.16 -0.06 0.00 0.53 0.00 0.00 43.42 44.38 1iv3 n LEU 492 CO 0.64 0.16 0.66 -1.58 -1.11 0.00 0.00 177.39 176.16 1iv3 s GLN 493 N -2.37 0.70 -0.04 1.96 0.74 -1.04 -4.87 119.66 114.74 1iv3 s GLN 493 Ca -0.04 0.35 0.01 0.00 0.05 0.00 0.00 55.36 55.73 1iv3 s GLN 493 Cb 0.04 0.33 0.02 0.00 1.10 0.00 0.00 33.01 34.50 1iv3 s GLN 493 CO 0.39 -0.18 -0.03 0.00 -0.55 0.00 0.00 175.29 174.92 1iv3 s ALA 494 N -0.68 0.54 -0.10 1.58 0.00 -0.56 -0.93 121.76 121.62 1iv3 s ALA 494 Ca -0.02 0.01 0.00 0.00 0.00 0.00 0.00 51.96 51.95 1iv3 s ALA 494 Cb -0.02 -0.36 0.02 0.00 0.00 0.00 0.00 23.12 22.76 1iv3 s ALA 494 CO 0.02 -0.02 -0.08 0.45 0.00 0.00 0.00 175.76 176.13 1iv3 s SER 495 N 0.87 1.99 0.06 0.00 0.15 -0.06 -0.01 113.70 116.70 1iv3 s SER 495 Ca -0.11 -0.27 -0.08 0.00 0.70 0.00 0.00 55.95 56.19 1iv3 s SER 495 Cb -0.14 -0.78 -0.00 0.00 -1.71 0.00 0.00 66.02 63.39 1iv3 s SER 495 CO -0.00 -0.09 0.17 -1.48 1.20 0.00 0.00 173.24 173.03 1iv3 s LEU 496 N 1.49 1.50 -0.12 3.45 2.34 0.14 -0.43 118.68 127.06 1iv3 s LEU 496 Ca 0.01 -0.52 0.03 0.00 0.06 0.00 0.00 54.13 53.70 1iv3 s LEU 496 Cb -0.13 0.90 0.00 0.00 -0.56 0.00 0.00 46.19 46.40 1iv3 s LEU 496 CO -0.05 -0.61 -0.21 -0.69 -1.06 0.00 0.00 176.35 173.72 1iv3 s VAL 497 N -3.08 2.22 -0.15 1.48 1.01 -0.44 -1.80 120.40 119.64 1iv3 s VAL 497 Ca -0.01 -0.94 -0.06 0.00 0.00 0.00 0.00 61.98 60.97 1iv3 s VAL 497 Cb 0.01 -1.88 -0.04 0.00 0.00 0.00 0.00 36.38 34.47 1iv3 s VAL 497 CO -0.07 0.55 0.06 -0.76 0.00 0.00 0.00 175.10 174.88 1iv3 s LEU 498 N 0.58 3.83 -0.12 3.92 1.43 -0.35 -2.17 118.68 125.79 1iv3 s LEU 498 Ca -0.12 0.15 0.03 0.00 -1.03 0.00 0.00 54.13 53.15 1iv3 s LEU 498 Cb -0.17 -1.94 0.01 0.00 0.03 0.00 0.00 46.19 44.12 1iv3 s LEU 498 CO 0.04 0.26 -0.21 -0.89 0.23 0.00 0.00 176.35 175.77 1iv3 s THR 499 N -0.12 1.96 -0.22 5.49 2.01 0.62 -0.65 115.64 124.73 1iv3 s THR 499 Ca 0.07 -0.93 -0.29 0.00 0.31 0.00 0.00 61.69 60.85 1iv3 s THR 499 Cb -0.12 -1.73 0.14 0.00 0.01 0.00 0.00 72.50 70.80 1iv3 s THR 499 CO 0.01 0.53 1.11 -1.48 -0.69 0.00 0.00 174.62 174.11 1iv3 s LEU 500 N 0.71 -0.29 0.15 4.42 2.34 -0.66 -0.63 118.68 124.72 1iv3 s LEU 500 Ca -0.10 0.39 0.10 0.00 0.06 0.00 0.00 54.13 54.58 1iv3 s LEU 500 Cb -0.16 1.65 -0.13 0.00 -0.56 0.00 0.00 46.19 46.99 1iv3 s LEU 500 CO 0.01 -0.22 1.27 0.44 -1.06 0.00 0.00 176.35 176.79 1iv3 h ASP 501 N 2.81 0.00 -5.00 1.48 3.32 -1.82 -3.36 116.42 113.85 1iv3 h ASP 501 Ca -0.19 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.79 1iv3 h ASP 501 Cb 1.17 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 40.53 1iv3 h ASP 501 CO 0.24 0.83 0.05 0.00 -1.72 0.00 0.00 179.24 178.65 1iv3 s ARG 502 N -2.78 0.95 0.91 3.56 1.70 -1.26 -4.67 118.95 117.36 1iv3 s ARG 502 Ca 0.01 0.11 -0.15 0.00 -0.47 0.00 0.00 55.73 55.23 1iv3 s ARG 502 Cb 0.09 0.44 0.16 0.00 -0.57 0.00 0.00 34.95 35.07 1iv3 s ARG 502 CO 0.80 -0.29 1.28 -1.25 -1.08 0.00 0.00 175.30 174.75 1iv3 s PRO 503 N -1.29 1.06 0.24 3.89 0.04 -1.26 -4.87 135.00 132.81 1iv3 s PRO 503 Ca -0.11 -0.24 -0.30 0.00 0.04 0.00 0.00 61.00 60.39 1iv3 s PRO 503 Cb -0.02 -1.88 -0.09 0.00 0.04 0.00 0.00 34.50 32.55 1iv3 s PRO 503 CO 0.08 -2.16 1.33 0.15 0.04 0.00 0.00 177.00 176.44 1iv3 s LYS 504 N -5.79 4.37 -0.01 4.56 1.02 -1.26 -4.93 119.74 117.70 1iv3 s LYS 504 Ca 0.70 2.12 0.22 0.00 0.02 0.00 0.00 55.97 59.03 1iv3 s LYS 504 Cb -0.06 -3.15 -0.28 0.00 -0.52 0.00 0.00 37.83 33.81 1iv3 s LYS 504 CO 0.52 -0.26 0.68 1.28 -0.92 0.00 0.00 175.35 176.65 1iv3 n LEU 505 N 2.20 0.44 -0.30 3.17 4.77 -1.26 -4.44 117.00 121.57 1iv3 n LEU 505 Ca 0.05 -0.21 0.03 0.00 -0.03 0.00 0.00 56.01 55.85 1iv3 n LEU 505 Cb 0.42 -0.00 0.11 0.00 -2.33 0.00 0.00 43.42 41.61 1iv3 n LEU 505 CO 0.58 0.10 0.69 1.23 -1.33 0.00 0.00 177.39 178.67 1iv3 h GLY 506 N 4.43 0.59 2.00 -0.72 0.00 -1.99 0.45 103.07 107.83 1iv3 h GLY 506 Ca 0.00 0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.62 1iv3 h GLY 506 CO 0.00 -0.32 0.00 -1.05 0.00 0.00 0.00 176.54 175.17 1iv3 n PRO 507 N -5.55 0.16 -0.35 4.80 -0.02 -1.26 -1.87 135.00 130.91 1iv3 n PRO 507 Ca 0.12 0.51 0.08 0.00 -2.02 0.00 0.00 63.50 62.19 1iv3 n PRO 507 Cb 0.43 -1.88 0.24 0.00 -0.02 0.00 0.00 33.50 32.27 1iv3 n PRO 507 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1iv3 n HIS 508 N -2.19 0.85 -0.09 6.00 8.25 0.15 -4.68 115.22 123.51 1iv3 n HIS 508 Ca 0.01 -0.61 -0.06 0.00 -0.26 0.00 0.00 57.72 56.80 1iv3 n HIS 508 Cb 0.14 -0.13 -0.00 0.00 1.12 0.00 0.00 29.99 31.11 1iv3 n HIS 508 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 1iv3 h ARG 509 N 2.67 -0.04 -0.37 -0.41 2.43 -1.05 -1.05 114.38 116.56 1iv3 h ARG 509 Ca 0.00 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 1iv3 h ARG 509 Cb 1.07 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.61 1iv3 h ARG 509 CO 0.10 -0.03 0.21 -0.22 -1.51 0.00 0.00 179.97 178.52 1iv3 h LYS 510 N -0.04 0.51 -0.63 0.20 3.64 -1.84 -1.68 116.57 116.73 1iv3 h LYS 510 Ca 0.16 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.46 1iv3 h LYS 510 Cb 0.28 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.97 1iv3 h LYS 510 CO -0.35 0.41 0.31 0.00 -2.27 0.00 0.00 179.45 177.55 1iv3 h ALA 511 N 1.07 0.81 -0.40 5.00 0.00 -1.85 -0.13 119.26 123.77 1iv3 h ALA 511 Ca 0.13 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1iv3 h ALA 511 Cb 0.04 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1iv3 h ALA 511 CO -0.02 0.37 0.03 -0.07 0.00 0.00 0.00 179.25 179.56 1iv3 h LEU 512 N 0.86 0.66 -0.35 0.00 3.38 -0.91 -0.45 115.31 118.51 1iv3 h LEU 512 Ca 0.22 -0.28 -0.08 0.00 0.09 0.00 0.00 57.88 57.82 1iv3 h LEU 512 Cb 0.11 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1iv3 h LEU 512 CO -0.03 0.78 -0.09 0.58 0.09 0.00 0.00 178.44 179.77 1iv3 h VAL 513 N 0.52 1.28 -0.84 1.22 2.07 -1.19 -2.06 116.25 117.25 1iv3 h VAL 513 Ca 0.12 -1.16 0.10 0.00 0.82 0.00 0.00 66.70 66.57 1iv3 h VAL 513 Cb 0.42 1.30 -0.07 0.00 -1.52 0.00 0.00 31.29 31.42 1iv3 h VAL 513 CO 0.01 0.38 0.48 0.44 0.02 0.00 0.00 177.57 178.91 1iv3 h ASP 514 N 0.48 0.69 -0.19 0.57 5.19 -0.89 0.29 116.42 122.55 1iv3 h ASP 514 Ca 0.09 0.05 -0.07 0.00 -0.62 0.00 0.00 57.03 56.48 1iv3 h ASP 514 Cb 0.60 -0.08 -0.00 0.00 0.18 0.00 0.00 39.33 40.02 1iv3 h ASP 514 CO 0.04 0.39 -0.15 -1.28 -3.12 0.00 0.00 179.24 175.12 1iv3 h SER 515 N 0.80 0.47 -0.57 6.45 0.87 -0.86 -0.95 113.55 119.77 1iv3 h SER 515 Ca 0.40 -0.45 -0.04 0.00 -1.23 0.00 0.00 61.79 60.48 1iv3 h SER 515 Cb 0.37 -0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 62.18 1iv3 h SER 515 CO -0.25 0.82 0.22 -0.07 -0.53 0.00 0.00 176.83 177.02 1iv3 h LEU 516 N 0.12 0.83 -0.57 2.23 3.38 -0.95 -0.20 115.31 120.14 1iv3 h LEU 516 Ca 0.04 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 1iv3 h LEU 516 Cb 0.67 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 1iv3 h LEU 516 CO 0.04 0.76 0.36 -1.28 0.09 0.00 0.00 178.44 178.40 1iv3 h SER 517 N 0.88 0.68 -0.14 -0.43 0.87 -0.18 -1.06 113.55 114.17 1iv3 h SER 517 Ca 0.21 -0.05 -0.16 0.00 -1.23 0.00 0.00 61.79 60.56 1iv3 h SER 517 Cb 0.20 -0.17 0.01 0.00 -0.44 0.00 0.00 62.40 62.00 1iv3 h SER 517 CO -0.02 0.53 -0.52 -0.09 -0.53 0.00 0.00 176.83 176.20 1iv3 h ARG 518 N 0.78 0.60 -0.43 2.24 2.43 -0.71 -0.33 114.38 118.95 1iv3 h ARG 518 Ca 0.21 -0.46 0.01 0.00 -0.81 0.00 0.00 59.98 58.93 1iv3 h ARG 518 Cb -0.04 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.58 1iv3 h ARG 518 CO -0.04 1.08 0.28 -0.07 -1.51 0.00 0.00 179.97 179.71 1iv3 h LEU 519 N 0.25 0.47 -1.41 3.80 4.07 -0.98 -3.12 115.31 118.39 1iv3 h LEU 519 Ca -0.03 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.93 1iv3 h LEU 519 Cb 1.15 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 42.78 1iv3 h LEU 519 CO 0.11 0.34 -0.06 0.23 -1.08 0.00 0.00 178.44 177.98 1iv3 n MET 520 N -4.80 1.89 -3.63 1.13 2.81 -0.41 -4.96 117.12 109.16 1iv3 n MET 520 Ca 0.01 -1.41 -0.22 0.00 -1.81 0.00 0.00 57.70 54.27 1iv3 n MET 520 Cb 0.03 -1.47 0.06 0.00 -0.71 0.00 0.00 33.22 31.14 1iv3 n MET 520 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1iv3 n ARG 521 N 0.67 -6.36 -4.55 0.03 1.74 -0.20 -5.00 116.66 102.99 1iv3 n ARG 521 Ca 0.15 0.74 -0.30 0.00 -0.77 0.00 0.00 57.85 57.68 1iv3 n ARG 521 Cb 0.49 -5.64 -0.13 0.00 -1.02 0.00 0.00 32.46 26.16 1iv3 n ARG 521 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1iv3 s LEU 522 N -6.84 2.44 0.64 0.55 1.43 -0.79 -5.05 118.68 111.06 1iv3 s LEU 522 Ca 0.26 -0.60 -0.17 0.00 -1.03 0.00 0.00 54.13 52.60 1iv3 s LEU 522 Cb -0.12 -1.38 -0.01 0.00 0.03 0.00 0.00 46.19 44.71 1iv3 s LEU 522 CO 0.77 0.21 1.15 -2.16 0.23 0.00 0.00 176.35 176.55 1iv3 s PRO 523 N -1.76 2.81 0.54 1.29 0.04 -1.26 -4.61 135.00 132.06 1iv3 s PRO 523 Ca 0.15 1.59 0.21 0.00 0.04 0.00 0.00 61.00 62.99 1iv3 s PRO 523 Cb -0.10 -1.93 1.44 0.00 0.04 0.00 0.00 34.50 33.95 1iv3 s PRO 523 CO 0.06 -1.28 2.15 1.96 0.04 0.00 0.00 177.00 179.93 1iv3 h GLN 524 N 0.35 0.00 0.00 4.56 4.20 -1.95 0.11 115.11 122.39 1iv3 h GLN 524 Ca -0.48 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.23 1iv3 h GLN 524 Cb 1.27 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.05 1iv3 h GLN 524 CO 0.54 0.00 0.00 -0.40 -0.67 0.00 0.00 178.83 178.30 1iv3 n ASP 525 N -4.30 0.00 -0.58 1.46 5.68 -1.26 -2.68 116.55 114.87 1iv3 n ASP 525 Ca -0.01 -0.12 0.05 0.00 -0.50 0.00 0.00 54.79 54.21 1iv3 n ASP 525 Cb 0.16 -0.25 0.14 0.00 -1.14 0.00 0.00 41.12 40.03 1iv3 n ASP 525 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1iv3 n ARG 526 N -1.25 2.89 -3.71 0.11 5.12 0.39 -4.80 116.66 115.41 1iv3 n ARG 526 Ca 0.11 -2.02 -0.38 0.00 -1.93 0.00 0.00 57.85 53.63 1iv3 n ARG 526 Cb 0.17 -1.26 -0.12 0.00 -1.16 0.00 0.00 32.46 30.09 1iv3 n ARG 526 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1iv3 s ILE 527 N -1.05 3.90 -0.60 0.55 -1.09 -1.09 -1.50 121.20 120.31 1iv3 s ILE 527 Ca 0.21 -1.28 -0.10 0.00 -2.23 0.00 0.00 60.65 57.26 1iv3 s ILE 527 Cb 0.11 -3.29 0.16 0.00 -1.58 0.00 0.00 42.46 37.85 1iv3 s ILE 527 CO 0.14 -0.32 0.50 -0.83 -1.23 0.00 0.00 174.94 173.20 1iv3 s GLY 528 N 1.65 2.30 -0.17 6.18 0.00 0.99 -5.00 107.32 113.27 1iv3 s GLY 528 Ca 0.01 -2.89 -0.03 0.00 0.00 0.00 0.00 44.72 41.80 1iv3 s GLY 528 CO 0.02 1.16 -0.06 -2.27 0.00 0.00 0.00 173.10 171.95 1iv3 s LEU 529 N 0.79 3.05 0.08 0.66 2.96 -1.26 0.28 118.68 125.24 1iv3 s LEU 529 Ca 0.11 -0.24 0.06 0.00 -0.22 0.00 0.00 54.13 53.84 1iv3 s LEU 529 Cb -0.21 -1.74 -0.03 0.00 0.50 0.00 0.00 46.19 44.71 1iv3 s LEU 529 CO -0.03 0.12 -0.16 0.42 -1.32 0.00 0.00 176.35 175.38 1iv3 s THR 530 N 0.66 1.27 -0.05 3.68 -4.23 -0.74 -4.99 115.64 111.24 1iv3 s THR 530 Ca -0.03 -1.41 0.04 0.00 -1.18 0.00 0.00 61.69 59.11 1iv3 s THR 530 Cb -0.15 -1.24 -0.02 0.00 1.34 0.00 0.00 72.50 72.43 1iv3 s THR 530 CO 0.02 -0.21 -0.17 -0.36 -0.54 0.00 0.00 174.62 173.36 1iv3 s PHE 531 N -1.35 2.61 0.10 3.99 0.08 -1.26 -1.22 117.98 120.93 1iv3 s PHE 531 Ca 0.01 -0.29 0.03 0.00 0.12 0.00 0.00 56.93 56.80 1iv3 s PHE 531 Cb -0.09 -1.62 -0.04 0.00 -0.57 0.00 0.00 43.02 40.70 1iv3 s PHE 531 CO 0.03 0.08 -0.09 0.15 -0.10 0.00 0.00 175.22 175.29 1iv3 s LYS 532 N -0.58 0.84 0.40 0.44 -0.14 0.18 -4.95 119.74 115.92 1iv3 s LYS 532 Ca 0.08 -1.23 0.03 0.00 -1.36 0.00 0.00 55.97 53.50 1iv3 s LYS 532 Cb -0.11 -0.40 -0.00 0.00 -1.68 0.00 0.00 37.83 35.63 1iv3 s LYS 532 CO 0.01 0.04 0.59 0.95 -0.76 0.00 0.00 175.35 176.18 1iv3 s THR 533 N -2.90 3.99 -2.28 2.17 -4.23 -1.26 -1.65 115.64 109.48 1iv3 s THR 533 Ca 0.08 -0.72 0.28 0.00 -1.18 0.00 0.00 61.69 60.15 1iv3 s THR 533 Cb 0.00 -3.44 0.65 0.00 1.34 0.00 0.00 72.50 71.06 1iv3 s THR 533 CO -0.02 -0.25 1.88 -1.54 -0.54 0.00 0.00 174.62 174.16 1iv3 n SER 534 N -1.90 0.93 -2.66 3.99 3.41 -1.26 -4.77 113.62 111.37 1iv3 n SER 534 Ca 0.01 -1.36 -0.19 0.00 -0.26 0.00 0.00 58.87 57.08 1iv3 n SER 534 Cb 0.58 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.52 1iv3 n SER 534 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1iv3 n GLU 535 N -0.25 -2.73 -0.94 4.33 -0.58 -1.26 0.03 120.64 119.24 1iv3 n GLU 535 Ca 0.20 0.79 0.00 0.00 -0.42 0.00 0.00 57.16 57.73 1iv3 n GLU 535 Cb 0.25 -5.48 0.00 0.00 -0.57 0.00 0.00 31.44 25.64 1iv3 n GLU 535 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1iv3 n GLY 536 N -1.07 0.91 0.25 0.62 0.00 -1.26 -4.90 105.19 99.74 1iv3 n GLY 536 Ca -0.16 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.81 1iv3 n GLY 536 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1iv3 h LEU 537 N 0.00 0.63 -5.39 0.99 5.85 -0.80 -3.40 115.31 113.19 1iv3 h LEU 537 Ca 0.00 -0.21 -0.34 0.00 0.84 0.00 0.00 57.88 58.17 1iv3 h LEU 537 Cb 0.00 -0.17 -0.23 0.00 0.37 0.00 0.00 40.66 40.63 1iv3 h LEU 537 CO 0.00 0.84 -0.72 0.00 -0.34 0.00 0.00 178.44 178.22 1iv3 n ALA 538 N -2.49 0.01 0.58 1.25 0.00 -1.26 -4.96 120.51 113.64 1iv3 n ALA 538 Ca 0.00 -2.11 0.08 0.00 0.00 0.00 0.00 53.44 51.41 1iv3 n ALA 538 Cb 0.40 -1.15 0.36 0.00 0.00 0.00 0.00 19.45 19.06 1iv3 n ALA 538 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1iv3 n PRO 539 N 1.70 0.00 -0.07 0.00 -0.04 -1.26 -2.86 135.00 132.46 1iv3 n PRO 539 Ca 0.14 0.21 0.08 0.00 -0.04 0.00 0.00 63.50 63.89 1iv3 n PRO 539 Cb 0.59 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.66 1iv3 n PRO 539 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1iv3 n SER 540 N -1.50 2.17 -4.27 3.54 7.64 -1.26 -4.76 113.62 115.18 1iv3 n SER 540 Ca 0.04 -2.84 -0.20 0.00 1.01 0.00 0.00 58.87 56.88 1iv3 n SER 540 Cb 0.20 -0.34 -0.11 0.00 -1.01 0.00 0.00 64.21 62.94 1iv3 n SER 540 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1iv3 s HIS 541 N -2.42 1.55 -0.04 1.43 3.76 -1.13 -0.24 115.29 118.20 1iv3 s HIS 541 Ca 0.25 -0.51 -0.02 0.00 -0.15 0.00 0.00 55.06 54.63 1iv3 s HIS 541 Cb 0.22 -0.81 -0.04 0.00 1.11 0.00 0.00 32.58 33.07 1iv3 s HIS 541 CO 0.02 0.20 0.09 0.54 -0.85 0.00 0.00 174.74 174.74 1iv3 s VAL 542 N -1.97 4.88 0.04 -0.90 0.11 0.27 -4.54 120.40 118.30 1iv3 s VAL 542 Ca 0.10 -0.24 0.04 0.00 -2.93 0.00 0.00 61.98 58.94 1iv3 s VAL 542 Cb -0.06 -3.19 -0.02 0.00 -1.53 0.00 0.00 36.38 31.58 1iv3 s VAL 542 CO 0.04 0.43 -0.11 -1.10 -3.33 0.00 0.00 175.10 171.03 1iv3 s GLN 543 N -1.50 0.74 -0.04 1.54 -0.21 0.20 -1.57 119.66 118.82 1iv3 s GLN 543 Ca 0.20 -0.72 -0.04 0.00 0.02 0.00 0.00 55.36 54.83 1iv3 s GLN 543 Cb -0.12 -0.68 0.01 0.00 1.00 0.00 0.00 33.01 33.22 1iv3 s GLN 543 CO 0.11 0.16 0.11 0.00 -2.12 0.00 0.00 175.29 173.55 1iv3 s ALA 544 N -0.97 -0.26 -0.03 6.09 0.00 0.31 -0.28 121.76 126.62 1iv3 s ALA 544 Ca -0.02 0.29 0.01 0.00 0.00 0.00 0.00 51.96 52.23 1iv3 s ALA 544 Cb -0.08 -0.17 0.03 0.00 0.00 0.00 0.00 23.12 22.90 1iv3 s ALA 544 CO 0.01 -0.05 -0.00 1.03 0.00 0.00 0.00 175.76 176.74 1iv3 s ARG 545 N 0.02 0.33 0.02 0.00 0.52 -0.92 -0.47 118.95 118.45 1iv3 s ARG 545 Ca -0.00 0.05 0.02 0.00 -0.52 0.00 0.00 55.73 55.28 1iv3 s ARG 545 Cb -0.01 -0.49 -0.02 0.00 0.52 0.00 0.00 34.95 34.96 1iv3 s ARG 545 CO 0.00 -0.12 -0.08 0.00 0.02 0.00 0.00 175.30 175.13 1iv3 s ALA 546 N 0.95 0.59 -0.07 2.13 0.00 0.31 -1.33 121.76 124.34 1iv3 s ALA 546 Ca -0.10 -0.55 0.05 0.00 0.00 0.00 0.00 51.96 51.36 1iv3 s ALA 546 Cb -0.13 -0.05 -0.01 0.00 0.00 0.00 0.00 23.12 22.93 1iv3 s ALA 546 CO -0.01 0.06 -0.22 0.08 0.00 0.00 0.00 175.76 175.67 1iv3 s VAL 547 N -0.79 2.31 0.19 0.00 1.01 0.43 -1.08 120.40 122.46 1iv3 s VAL 547 Ca -0.04 -0.97 0.11 0.00 0.00 0.00 0.00 61.98 61.08 1iv3 s VAL 547 Cb -0.06 -1.87 -0.04 0.00 0.00 0.00 0.00 36.38 34.41 1iv3 s VAL 547 CO 0.00 0.57 -0.22 0.68 0.00 0.00 0.00 175.10 176.13 1iv3 s VAL 548 N -0.15 2.47 -0.06 2.92 -7.23 -0.03 -0.88 120.40 117.44 1iv3 s VAL 548 Ca -0.03 -1.95 0.04 0.00 -1.81 0.00 0.00 61.98 58.22 1iv3 s VAL 548 Cb -0.14 -2.18 0.00 0.00 0.56 0.00 0.00 36.38 34.62 1iv3 s VAL 548 CO 0.04 -0.10 -0.17 -0.22 -0.31 0.00 0.00 175.10 174.35 1iv3 s LEU 549 N -2.63 1.86 0.04 1.32 2.96 -0.10 -1.93 118.68 120.19 1iv3 s LEU 549 Ca 0.21 -0.37 0.04 0.00 -0.22 0.00 0.00 54.13 53.79 1iv3 s LEU 549 Cb -0.08 -0.99 -0.02 0.00 0.50 0.00 0.00 46.19 45.60 1iv3 s LEU 549 CO 0.10 0.12 -0.11 -0.76 -1.32 0.00 0.00 176.35 174.38 1iv3 s LEU 550 N 0.27 2.19 0.00 -0.68 1.02 0.01 -0.59 118.68 120.89 1iv3 s LEU 550 Ca -0.09 -0.46 0.00 0.00 0.02 0.00 0.00 54.13 53.60 1iv3 s LEU 550 Cb -0.14 -0.41 0.00 0.00 0.02 0.00 0.00 46.19 45.66 1iv3 s LEU 550 CO 0.04 -0.05 0.00 0.47 0.02 0.00 0.00 176.35 176.83