#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3b78 n PHE 400 N 0.00 0.24 1.00 0.00 3.72 -1.26 -4.62 117.46 116.55 3b78 n PHE 400 Ca 0.00 -0.35 0.11 0.00 -0.05 0.00 0.00 57.45 57.17 3b78 n PHE 400 Cb 0.00 -0.02 0.16 0.00 -0.94 0.00 0.00 39.48 38.67 3b78 n PHE 400 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3b78 n LEU 401 N 0.33 0.63 0.00 4.37 4.77 -1.26 -4.68 117.00 121.16 3b78 n LEU 401 Ca 0.08 -0.13 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 3b78 n LEU 401 Cb 0.33 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 3b78 n LEU 401 CO 0.06 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 176.88 3b78 n GLY 402 N 1.50 -1.70 3.89 -0.72 0.00 -1.26 -4.70 105.19 102.19 3b78 n GLY 402 Ca 0.05 -1.51 -0.33 0.00 0.00 0.00 0.00 46.02 44.23 3b78 n GLY 402 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3b78 s ASP 403 N -4.00 6.53 0.00 1.61 -0.00 -1.26 -5.01 116.67 114.54 3b78 s ASP 403 Ca 0.00 0.64 0.00 0.00 -0.00 0.00 0.00 52.55 53.19 3b78 s ASP 403 Cb 0.00 -2.11 0.00 0.00 -0.00 0.00 0.00 42.92 40.81 3b78 s ASP 403 CO 0.00 0.13 0.00 0.61 -0.00 0.00 0.00 175.17 175.91 3b78 n GLY 404 N 0.53 0.92 2.08 0.21 0.00 -1.26 -4.96 105.19 102.70 3b78 n GLY 404 Ca -0.06 -1.86 -0.16 0.00 0.00 0.00 0.00 46.02 43.95 3b78 n GLY 404 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3b78 n GLY 405 N 0.00 -1.46 3.68 -0.02 0.00 -1.26 -4.99 105.19 101.14 3b78 n GLY 405 Ca 0.00 -1.67 -0.42 0.00 0.00 0.00 0.00 46.02 43.93 3b78 n GLY 405 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3b78 s ASP 406 N -3.59 6.87 -0.06 1.61 -0.00 -1.26 -4.95 116.67 115.30 3b78 s ASP 406 Ca 0.41 2.01 -0.28 0.00 -0.00 0.00 0.00 52.55 54.69 3b78 s ASP 406 Cb -0.01 -2.55 -0.03 0.00 -0.00 0.00 0.00 42.92 40.33 3b78 s ASP 406 CO 0.29 -0.73 0.90 -0.69 -0.00 0.00 0.00 175.17 174.93 3b78 s VAL 407 N 2.78 4.90 0.17 -1.27 1.01 -1.26 -4.50 120.40 122.23 3b78 s VAL 407 Ca 0.62 1.86 -0.05 0.00 0.00 0.00 0.00 61.98 64.41 3b78 s VAL 407 Cb -0.29 -4.23 -0.03 0.00 0.00 0.00 0.00 36.38 31.84 3b78 s VAL 407 CO 0.24 0.14 0.19 -0.94 0.00 0.00 0.00 175.10 174.73 3b78 s SER 408 N 0.99 0.15 -0.08 3.32 1.04 -1.19 -4.98 113.70 112.95 3b78 s SER 408 Ca 0.46 -1.09 0.02 0.00 0.48 0.00 0.00 55.95 55.82 3b78 s SER 408 Cb -0.19 0.39 -0.02 0.00 0.10 0.00 0.00 66.02 66.29 3b78 s SER 408 CO 0.22 -0.85 -0.12 -0.36 0.98 0.00 0.00 173.24 173.12 3b78 s PHE 409 N -4.04 2.80 0.13 5.02 0.08 -1.26 -0.87 117.98 119.84 3b78 s PHE 409 Ca 0.24 -0.21 -0.16 0.00 0.12 0.00 0.00 56.93 56.91 3b78 s PHE 409 Cb 0.05 -1.71 0.04 0.00 -0.57 0.00 0.00 43.02 40.83 3b78 s PHE 409 CO 0.04 0.13 0.42 -1.54 -0.10 0.00 0.00 175.22 174.17 3b78 s SER 410 N -0.48 -0.25 0.57 1.36 1.04 -1.19 -4.97 113.70 109.77 3b78 s SER 410 Ca 0.06 -0.33 0.26 0.00 0.48 0.00 0.00 55.95 56.43 3b78 s SER 410 Cb -0.12 0.49 1.56 0.00 0.10 0.00 0.00 66.02 68.05 3b78 s SER 410 CO 0.02 -0.88 2.10 0.71 0.98 0.00 0.00 173.24 176.17 3b78 h THR 411 N 2.33 0.61 0.00 2.02 1.35 -1.92 0.30 112.91 117.60 3b78 h THR 411 Ca -0.33 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.53 3b78 h THR 411 Cb 1.26 0.86 0.00 0.00 -1.73 0.00 0.00 68.15 68.54 3b78 h THR 411 CO 0.45 0.00 0.00 0.54 -0.25 0.00 0.00 175.52 176.26 3b78 n ARG 412 N -4.03 0.13 0.00 4.72 1.74 -1.26 -4.40 116.66 113.56 3b78 n ARG 412 Ca 0.02 0.26 0.00 0.00 -0.77 0.00 0.00 57.85 57.36 3b78 n ARG 412 Cb 0.32 -1.70 0.00 0.00 -1.02 0.00 0.00 32.46 30.06 3b78 n ARG 412 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3b78 n GLY 413 N 0.55 3.03 3.66 -0.13 0.00 0.11 -5.02 105.19 107.38 3b78 n GLY 413 Ca 0.04 -2.00 -0.43 0.00 0.00 0.00 0.00 46.02 43.63 3b78 n GLY 413 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3b78 s THR 414 N -2.44 3.94 0.25 2.61 2.01 -1.26 -3.19 115.64 117.57 3b78 s THR 414 Ca 0.00 1.12 -0.30 0.00 0.31 0.00 0.00 61.69 62.83 3b78 s THR 414 Cb 0.00 -3.76 -0.09 0.00 0.01 0.00 0.00 72.50 68.66 3b78 s THR 414 CO 0.00 -0.14 1.04 -1.10 -0.69 0.00 0.00 174.62 173.73 3b78 s GLN 415 N 3.87 4.71 -1.28 4.92 -1.52 -0.05 -3.87 119.66 126.44 3b78 s GLN 415 Ca 0.64 1.68 -0.08 0.00 -1.95 0.00 0.00 55.36 55.65 3b78 s GLN 415 Cb -0.26 -3.23 0.01 0.00 -0.22 0.00 0.00 33.01 29.30 3b78 s GLN 415 CO 0.22 0.30 1.06 0.09 -0.25 0.00 0.00 175.29 176.72 3b78 n ASN 416 N 1.42 -6.08 -3.50 5.90 3.02 -1.26 -3.18 115.26 111.59 3b78 n ASN 416 Ca -0.01 -0.48 -0.29 0.00 -0.03 0.00 0.00 54.58 53.77 3b78 n ASN 416 Cb 0.46 -4.71 -0.12 0.00 -0.61 0.00 0.00 39.78 34.80 3b78 n ASN 416 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 3b78 s TRP 417 N -3.29 1.07 0.54 3.10 -0.11 -1.25 -4.70 118.94 114.30 3b78 s TRP 417 Ca 0.53 -1.93 -0.05 0.00 1.22 0.00 0.00 56.10 55.87 3b78 s TRP 417 Cb -0.23 -1.12 -0.00 0.00 -1.50 0.00 0.00 33.47 30.61 3b78 s TRP 417 CO 0.65 -0.81 0.83 0.95 -4.62 0.00 0.00 176.95 173.95 3b78 s THR 418 N 0.70 4.02 0.42 5.86 -4.23 -1.26 -4.92 115.64 116.23 3b78 s THR 418 Ca 0.21 -0.03 0.14 0.00 -1.18 0.00 0.00 61.69 60.83 3b78 s THR 418 Cb -0.18 -3.56 0.16 0.00 1.34 0.00 0.00 72.50 70.26 3b78 s THR 418 CO -0.04 -0.54 1.95 1.62 -0.54 0.00 0.00 174.62 177.07 3b78 h VAL 419 N 0.02 1.17 -0.49 2.29 3.04 -1.99 -1.76 116.25 118.53 3b78 h VAL 419 Ca -0.46 -0.80 -0.12 0.00 -1.01 0.00 0.00 66.70 64.31 3b78 h VAL 419 Cb 1.24 1.42 -0.02 0.00 -2.01 0.00 0.00 31.29 31.93 3b78 h VAL 419 CO 0.60 0.23 -0.17 -0.33 -1.01 0.00 0.00 177.57 176.89 3b78 h GLU 420 N 0.01 0.96 -0.34 4.17 3.07 -2.00 -1.81 114.58 118.65 3b78 h GLU 420 Ca 0.00 -0.38 -0.10 0.00 -0.50 0.00 0.00 59.36 58.38 3b78 h GLU 420 Cb 0.41 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.26 3b78 h GLU 420 CO 0.03 1.05 -0.21 -0.09 -1.40 0.00 0.00 179.01 178.39 3b78 h ARG 421 N 0.84 0.65 -0.60 2.33 2.43 -1.80 -2.77 114.38 115.47 3b78 h ARG 421 Ca 0.12 -0.24 -0.03 0.00 -0.81 0.00 0.00 59.98 59.02 3b78 h ARG 421 Cb 0.73 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.21 3b78 h ARG 421 CO 0.06 0.81 0.27 1.25 -1.51 0.00 0.00 179.97 180.85 3b78 h LEU 422 N 0.58 0.80 -1.68 3.80 5.85 -1.09 -0.93 115.31 122.63 3b78 h LEU 422 Ca 0.09 -0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.64 3b78 h LEU 422 Cb 0.67 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 3b78 h LEU 422 CO 0.05 0.72 0.01 -0.07 -0.34 0.00 0.00 178.44 178.82 3b78 h LEU 423 N 0.82 0.19 -0.06 2.25 3.38 -1.16 0.36 115.31 121.09 3b78 h LEU 423 Ca 0.20 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.10 3b78 h LEU 423 Cb 0.15 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3b78 h LEU 423 CO -0.02 0.22 -0.19 -0.61 0.09 0.00 0.00 178.44 177.93 3b78 h GLN 424 N 0.21 0.24 -0.30 1.13 4.15 -1.17 -1.70 115.11 117.67 3b78 h GLN 424 Ca 0.05 -0.17 -0.05 0.00 0.77 0.00 0.00 58.65 59.25 3b78 h GLN 424 Cb 0.13 0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.83 3b78 h GLN 424 CO 0.00 0.80 -0.05 0.00 -1.93 0.00 0.00 178.83 177.65 3b78 h ALA 425 N 0.44 1.36 -0.14 3.38 0.00 -0.60 -1.27 119.26 122.44 3b78 h ALA 425 Ca -0.01 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 3b78 h ALA 425 Cb 0.81 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 3b78 h ALA 425 CO 0.04 0.44 -0.14 1.25 0.00 0.00 0.00 179.25 180.83 3b78 h HIS 426 N 0.45 0.41 -0.36 0.00 -0.00 -0.33 -2.61 115.15 112.71 3b78 h HIS 426 Ca 0.09 -0.12 0.01 0.00 -0.00 0.00 0.00 60.37 60.35 3b78 h HIS 426 Cb 0.37 -0.08 -0.02 0.00 -0.00 0.00 0.00 27.41 27.67 3b78 h HIS 426 CO 0.01 0.74 0.22 -0.09 -0.00 0.00 0.00 177.93 178.81 3b78 h ARG 427 N -0.04 0.43 0.00 5.26 2.43 -1.04 -2.06 114.38 119.35 3b78 h ARG 427 Ca 0.02 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 3b78 h ARG 427 Cb 0.67 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 30.12 3b78 h ARG 427 CO 0.04 0.28 -0.14 1.96 -1.51 0.00 0.00 179.97 180.60 3b78 h GLN 428 N 0.44 0.00 -0.13 0.20 4.20 -1.28 -0.63 115.11 117.91 3b78 h GLN 428 Ca 0.14 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.68 3b78 h GLN 428 Cb -0.01 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.78 3b78 h GLN 428 CO -0.06 0.14 -0.56 -0.07 -0.67 0.00 0.00 178.83 177.61 3b78 h LEU 429 N 0.00 0.73 -0.58 1.46 3.38 -0.99 -3.10 115.31 116.21 3b78 h LEU 429 Ca -0.00 -0.62 -0.13 0.00 0.09 0.00 0.00 57.88 57.22 3b78 h LEU 429 Cb 0.40 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 3b78 h LEU 429 CO 0.02 1.23 -0.23 -0.33 0.09 0.00 0.00 178.44 179.22 3b78 h GLU 430 N 0.27 0.89 0.00 1.13 5.08 -0.98 -0.85 114.58 120.12 3b78 h GLU 430 Ca -0.03 -0.38 0.00 0.00 -1.00 0.00 0.00 59.36 57.95 3b78 h GLU 430 Cb 1.20 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.41 3b78 h GLU 430 CO 0.12 1.03 0.00 0.39 -1.00 0.00 0.00 179.01 179.54 3b78 n GLU 431 N -4.11 0.11 -0.10 2.33 1.02 -0.28 -1.53 120.64 118.07 3b78 n GLU 431 Ca 0.00 0.55 0.04 0.00 -0.02 0.00 0.00 57.16 57.73 3b78 n GLU 431 Cb 0.45 -1.81 0.10 0.00 -0.02 0.00 0.00 31.44 30.16 3b78 n GLU 431 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3b78 n ARG 432 N -2.03 2.51 -1.26 3.49 1.74 -0.96 -4.98 116.66 115.17 3b78 n ARG 432 Ca -0.00 -1.75 0.00 0.00 -0.77 0.00 0.00 57.85 55.33 3b78 n ARG 432 Cb 0.06 -1.18 0.00 0.00 -1.02 0.00 0.00 32.46 30.32 3b78 n ARG 432 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3b78 n GLY 433 N 0.23 0.95 3.71 -0.13 0.00 -0.59 -5.00 105.19 104.37 3b78 n GLY 433 Ca 0.07 -0.57 -0.26 0.00 0.00 0.00 0.00 46.02 45.26 3b78 n GLY 433 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3b78 s TYR 434 N -2.00 2.93 -0.01 1.61 1.51 -0.37 -0.59 117.35 120.44 3b78 s TYR 434 Ca 0.00 -0.11 0.01 0.00 -1.01 0.00 0.00 57.07 55.96 3b78 s TYR 434 Cb 0.00 -1.40 -0.00 0.00 -0.11 0.00 0.00 41.96 40.45 3b78 s TYR 434 CO 0.00 0.53 -0.04 0.54 -1.11 0.00 0.00 175.55 175.46 3b78 s VAL 435 N -1.81 0.35 0.16 0.71 0.11 0.30 -4.00 120.40 116.22 3b78 s VAL 435 Ca 0.29 -0.18 -0.30 0.00 -2.93 0.00 0.00 61.98 58.86 3b78 s VAL 435 Cb -0.09 -0.31 -0.08 0.00 -1.53 0.00 0.00 36.38 34.37 3b78 s VAL 435 CO 0.20 0.11 1.25 0.12 -3.33 0.00 0.00 175.10 173.45 3b78 s PHE 436 N -0.02 3.36 0.00 1.54 5.36 -1.26 -1.56 117.98 125.39 3b78 s PHE 436 Ca 0.01 1.28 0.00 0.00 -0.96 0.00 0.00 56.93 57.26 3b78 s PHE 436 Cb -0.03 -3.51 0.00 0.00 -0.34 0.00 0.00 43.02 39.14 3b78 s PHE 436 CO -0.00 -1.56 0.12 1.33 -1.46 0.00 0.00 175.22 173.64 3b78 n VAL 437 N 3.00 0.00 -1.03 3.12 0.24 -0.47 -4.38 118.33 118.82 3b78 n VAL 437 Ca 0.07 -0.34 0.00 0.00 -2.04 0.00 0.00 64.34 62.03 3b78 n VAL 437 Cb 0.44 1.11 0.00 0.00 -1.47 0.00 0.00 33.84 33.92 3b78 n VAL 437 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3b78 n GLY 438 N 0.45 -0.54 3.79 7.63 0.00 -1.23 -4.46 105.19 110.83 3b78 n GLY 438 Ca 0.00 -1.61 -0.26 0.00 0.00 0.00 0.00 46.02 44.15 3b78 n GLY 438 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3b78 s TYR 439 N -2.01 3.15 -0.10 1.61 2.02 0.15 -0.36 117.35 121.81 3b78 s TYR 439 Ca 0.00 -0.01 -0.01 0.00 -0.37 0.00 0.00 57.07 56.67 3b78 s TYR 439 Cb 0.00 -1.52 0.03 0.00 -0.40 0.00 0.00 41.96 40.08 3b78 s TYR 439 CO 0.00 0.52 -0.01 -1.58 -1.57 0.00 0.00 175.55 172.91 3b78 s HIS 440 N -1.73 0.90 -0.09 2.71 5.65 0.44 -1.08 115.29 122.09 3b78 s HIS 440 Ca 0.31 -0.40 -0.14 0.00 0.25 0.00 0.00 55.06 55.08 3b78 s HIS 440 Cb -0.10 -0.93 -0.05 0.00 -1.18 0.00 0.00 32.58 30.32 3b78 s HIS 440 CO 0.23 -0.41 0.34 0.20 -0.65 0.00 0.00 174.74 174.45 3b78 s GLY 441 N 1.90 2.33 0.40 1.59 0.00 -1.24 -0.90 107.32 111.40 3b78 s GLY 441 Ca 0.04 -0.35 -0.13 0.00 0.00 0.00 0.00 44.72 44.27 3b78 s GLY 441 CO -0.06 0.26 0.76 -1.08 0.00 0.00 0.00 173.10 172.98 3b78 s THR 442 N -0.29 0.00 0.61 0.90 -1.32 -1.14 -4.20 115.64 110.20 3b78 s THR 442 Ca 0.20 -1.07 -0.08 0.00 -1.21 0.00 0.00 61.69 59.53 3b78 s THR 442 Cb -0.15 -2.96 -0.00 0.00 -1.51 0.00 0.00 72.50 67.88 3b78 s THR 442 CO 0.08 0.00 0.96 0.72 -2.21 0.00 0.00 174.62 174.17 3b78 s PHE 443 N -2.19 3.37 0.15 9.09 -0.71 -1.25 -1.41 117.98 125.03 3b78 s PHE 443 Ca 0.18 0.87 -0.21 0.00 -1.04 0.00 0.00 56.93 56.73 3b78 s PHE 443 Cb -0.04 -2.77 0.03 0.00 -1.21 0.00 0.00 43.02 39.03 3b78 s PHE 443 CO 0.13 -0.83 1.66 -0.07 -1.34 0.00 0.00 175.22 174.77 3b78 h LEU 444 N -0.27 -0.53 -1.13 -1.99 3.38 -1.89 -1.42 115.31 111.46 3b78 h LEU 444 Ca -0.45 0.11 0.03 0.00 0.09 0.00 0.00 57.88 57.66 3b78 h LEU 444 Cb 1.24 0.27 -0.05 0.00 0.09 0.00 0.00 40.66 42.21 3b78 h LEU 444 CO 0.62 -0.20 0.59 -0.33 0.09 0.00 0.00 178.44 179.21 3b78 h GLU 445 N -0.15 1.11 -0.61 1.13 3.07 -1.94 -1.62 114.58 115.57 3b78 h GLU 445 Ca 0.14 -0.07 -0.08 0.00 -0.50 0.00 0.00 59.36 58.85 3b78 h GLU 445 Cb 0.35 -0.25 -0.02 0.00 -0.84 0.00 0.00 28.75 27.99 3b78 h GLU 445 CO -0.34 0.74 0.07 0.00 -1.40 0.00 0.00 179.01 178.08 3b78 h ALA 446 N 1.47 0.97 -0.81 3.43 0.00 -1.73 -1.56 119.26 121.02 3b78 h ALA 446 Ca 0.35 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3b78 h ALA 446 Cb -0.02 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.50 3b78 h ALA 446 CO -0.10 0.64 0.35 0.00 0.00 0.00 0.00 179.25 180.15 3b78 h ALA 447 N 1.12 1.05 -0.67 0.00 0.00 -0.47 0.71 119.26 120.99 3b78 h ALA 447 Ca 0.18 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 3b78 h ALA 447 Cb 0.45 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3b78 h ALA 447 CO 0.02 0.65 0.14 0.37 0.00 0.00 0.00 179.25 180.43 3b78 h GLN 448 N 1.17 1.09 -0.39 0.00 5.75 -1.03 -0.95 115.11 120.75 3b78 h GLN 448 Ca 0.27 -0.27 -0.15 0.00 -0.15 0.00 0.00 58.65 58.35 3b78 h GLN 448 Cb 0.17 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 28.58 3b78 h GLN 448 CO -0.03 0.98 -0.35 1.03 -2.65 0.00 0.00 178.83 177.81 3b78 h SER 449 N 1.03 0.99 -0.06 -0.69 0.87 -0.75 -1.61 113.55 113.31 3b78 h SER 449 Ca 0.21 -0.46 -0.11 0.00 -1.23 0.00 0.00 61.79 60.20 3b78 h SER 449 Cb 0.39 -0.28 0.01 0.00 -0.44 0.00 0.00 62.40 62.08 3b78 h SER 449 CO 0.01 1.24 -0.40 0.40 -0.53 0.00 0.00 176.83 177.54 3b78 h ILE 450 N 0.75 1.42 -0.07 2.23 2.04 -0.77 -2.88 117.51 120.23 3b78 h ILE 450 Ca 0.07 -1.81 -0.15 0.00 1.00 0.00 0.00 64.86 63.97 3b78 h ILE 450 Cb 0.94 2.35 0.01 0.00 -0.74 0.00 0.00 36.82 39.38 3b78 h ILE 450 CO 0.09 0.53 -0.55 0.58 0.00 0.00 0.00 178.15 178.79 3b78 h VAL 451 N -0.10 1.38 -2.42 1.67 2.07 -1.25 -1.51 116.25 116.09 3b78 h VAL 451 Ca -0.03 -1.91 -0.72 0.00 0.82 0.00 0.00 66.70 64.85 3b78 h VAL 451 Cb 1.06 2.32 -0.33 0.00 -1.52 0.00 0.00 31.29 32.81 3b78 h VAL 451 CO 0.08 0.57 0.29 0.49 0.02 0.00 0.00 177.57 179.02 3b78 n PHE 452 N -4.21 3.09 0.00 1.57 3.01 -0.61 -4.44 117.46 115.87 3b78 n PHE 452 Ca -0.09 -3.19 0.00 0.00 1.01 0.00 0.00 57.45 55.18 3b78 n PHE 452 Cb 0.63 -0.93 0.00 0.00 -0.01 0.00 0.00 39.48 39.17 3b78 n PHE 452 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3b78 n GLY 453 N 0.42 0.20 0.00 1.37 0.00 -1.14 -4.71 105.19 101.33 3b78 n GLY 453 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.37 3b78 n GLY 453 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3b78 n GLY 454 N 0.00 -0.20 3.70 -0.02 0.00 -0.57 -4.92 105.19 103.18 3b78 n GLY 454 Ca 0.00 -1.68 -0.42 0.00 0.00 0.00 0.00 46.02 43.92 3b78 n GLY 454 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3b78 s VAL 455 N -2.89 3.98 0.05 1.61 1.01 -1.26 -4.42 120.40 118.48 3b78 s VAL 455 Ca 0.00 1.39 0.07 0.00 0.00 0.00 0.00 61.98 63.44 3b78 s VAL 455 Cb 0.00 -3.89 -0.03 0.00 0.00 0.00 0.00 36.38 32.46 3b78 s VAL 455 CO 0.00 0.06 -0.21 -0.13 0.00 0.00 0.00 175.10 174.82 3b78 s ARG 456 N 1.58 1.34 0.45 2.72 1.81 -1.26 -4.30 118.95 121.29 3b78 s ARG 456 Ca 0.59 -0.98 -0.24 0.00 -1.72 0.00 0.00 55.73 53.38 3b78 s ARG 456 Cb -0.29 -1.48 -0.07 0.00 -0.45 0.00 0.00 34.95 32.65 3b78 s ARG 456 CO 0.27 0.37 1.25 0.00 -0.68 0.00 0.00 175.30 176.51 3b78 s ALA 457 N -0.86 3.05 0.36 2.13 0.00 -1.26 -5.03 121.76 120.15 3b78 s ALA 457 Ca 0.07 1.12 -0.09 0.00 0.00 0.00 0.00 51.96 53.05 3b78 s ALA 457 Cb -0.09 -3.45 0.03 0.00 0.00 0.00 0.00 23.12 19.60 3b78 s ALA 457 CO 0.02 -0.85 0.63 -0.98 0.00 0.00 0.00 175.76 174.59 3b78 s ARG 458 N -2.55 2.05 0.22 0.00 1.70 -1.26 -5.16 118.95 113.95 3b78 s ARG 458 Ca 0.62 -1.57 -0.30 0.00 -0.47 0.00 0.00 55.73 54.01 3b78 s ARG 458 Cb -0.34 0.54 -0.08 0.00 -0.57 0.00 0.00 34.95 34.49 3b78 s ARG 458 CO 0.42 -0.91 1.00 -1.12 -1.08 0.00 0.00 175.30 173.61 3b78 s SER 459 N -3.14 7.50 -0.01 -2.89 0.01 -1.26 -4.96 113.70 108.94 3b78 s SER 459 Ca 0.23 2.00 0.02 0.00 1.31 0.00 0.00 55.95 59.50 3b78 s SER 459 Cb -0.03 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.60 3b78 s SER 459 CO 0.15 0.01 -0.05 -1.10 0.41 0.00 0.00 173.24 172.66 3b78 s GLN 460 N -0.91 0.53 -1.12 12.44 -0.21 -1.26 -5.08 119.66 124.05 3b78 s GLN 460 Ca 0.44 -0.16 -0.21 0.00 0.02 0.00 0.00 55.36 55.44 3b78 s GLN 460 Cb -0.27 -0.53 0.03 0.00 1.00 0.00 0.00 33.01 33.24 3b78 s GLN 460 CO 0.34 0.06 1.66 0.16 -2.12 0.00 0.00 175.29 175.39 3b78 s ASP 461 N 0.17 6.31 0.21 5.90 -4.77 -1.26 -4.84 116.67 118.39 3b78 s ASP 461 Ca -0.02 -1.74 -0.22 0.00 -3.30 0.00 0.00 52.55 47.28 3b78 s ASP 461 Cb -0.06 -2.57 0.07 0.00 -1.09 0.00 0.00 42.92 39.27 3b78 s ASP 461 CO -0.00 -1.69 0.99 -1.48 0.70 0.00 0.00 175.17 173.69 3b78 s LEU 462 N 5.92 -0.02 0.11 2.11 0.05 -1.26 -5.12 118.68 120.46 3b78 s LEU 462 Ca 0.54 -0.70 -0.31 0.00 0.05 0.00 0.00 54.13 53.70 3b78 s LEU 462 Cb 0.01 2.21 -0.10 0.00 -2.05 0.00 0.00 46.19 46.26 3b78 s LEU 462 CO -0.00 -1.08 1.72 -0.62 -0.55 0.00 0.00 176.35 175.81 3b78 s ASP 463 N -3.29 6.51 0.42 1.48 -1.08 -1.26 -4.85 116.67 114.60 3b78 s ASP 463 Ca 0.19 2.63 0.23 0.00 -0.52 0.00 0.00 52.55 55.09 3b78 s ASP 463 Cb -0.03 -2.57 1.23 0.00 -1.46 0.00 0.00 42.92 40.09 3b78 s ASP 463 CO 0.06 -0.93 1.73 0.00 0.52 0.00 0.00 175.17 176.55 3b78 h ALA 464 N 8.17 2.44 0.00 3.66 0.00 -2.00 0.20 119.26 131.73 3b78 h ALA 464 Ca -0.44 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 3b78 h ALA 464 Cb 1.21 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 3b78 h ALA 464 CO 0.94 -0.90 -0.04 -0.84 0.00 0.00 0.00 179.25 178.41 3b78 h ILE 465 N 0.28 0.28 -0.69 0.00 3.07 -1.92 -1.87 117.51 116.67 3b78 h ILE 465 Ca 0.65 -0.25 0.00 0.00 1.55 0.00 0.00 64.86 66.82 3b78 h ILE 465 Cb 1.85 1.18 0.00 0.00 -0.27 0.00 0.00 36.82 39.59 3b78 h ILE 465 CO -0.31 0.04 0.00 0.79 -1.05 0.00 0.00 178.15 177.62 3b78 n TRP 466 N -3.41 0.91 -2.04 0.16 7.02 0.69 -3.90 117.44 116.88 3b78 n TRP 466 Ca -0.02 -0.46 -0.37 0.00 -1.02 0.00 0.00 57.50 55.63 3b78 n TRP 466 Cb 0.16 -0.00 0.02 0.00 -2.42 0.00 0.00 31.31 29.07 3b78 n TRP 466 CO 0.00 0.00 0.00 -0.98 -2.02 0.00 0.00 177.69 174.69 3b78 s ARG 467 N -1.07 3.29 0.00 -0.99 1.70 -0.70 -4.95 118.95 116.23 3b78 s ARG 467 Ca 0.48 1.92 0.00 0.00 -0.47 0.00 0.00 55.73 57.65 3b78 s ARG 467 Cb 0.25 -2.18 0.00 0.00 -0.57 0.00 0.00 34.95 32.45 3b78 s ARG 467 CO 0.33 -0.98 0.00 0.41 -1.08 0.00 0.00 175.30 173.98 3b78 n GLY 468 N 0.54 -1.58 3.62 3.88 0.00 -1.26 -4.52 105.19 105.86 3b78 n GLY 468 Ca 0.11 -1.46 -0.39 0.00 0.00 0.00 0.00 46.02 44.28 3b78 n GLY 468 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3b78 s PHE 469 N -2.07 3.27 -0.10 1.61 5.36 0.05 -4.89 117.98 121.21 3b78 s PHE 469 Ca 0.00 0.52 -0.12 0.00 -0.96 0.00 0.00 56.93 56.36 3b78 s PHE 469 Cb 0.00 -2.61 -0.05 0.00 -0.34 0.00 0.00 43.02 40.02 3b78 s PHE 469 CO 0.00 -0.21 0.29 0.71 -1.46 0.00 0.00 175.22 174.55 3b78 s TYR 470 N 2.01 3.58 0.29 10.12 1.51 -1.26 -0.52 117.35 133.09 3b78 s TYR 470 Ca 0.18 0.70 -0.01 0.00 -1.01 0.00 0.00 57.07 56.93 3b78 s TYR 470 Cb -0.16 -2.22 -0.02 0.00 -0.11 0.00 0.00 41.96 39.46 3b78 s TYR 470 CO 0.09 0.50 0.34 0.96 -1.11 0.00 0.00 175.55 176.33 3b78 s ILE 471 N -0.41 0.00 -0.03 2.71 -4.36 0.04 -4.82 121.20 114.34 3b78 s ILE 471 Ca 0.18 -1.77 -0.02 0.00 -0.26 0.00 0.00 60.65 58.79 3b78 s ILE 471 Cb -0.14 -2.51 0.02 0.00 1.25 0.00 0.00 42.46 41.08 3b78 s ILE 471 CO 0.07 0.00 0.07 0.00 0.24 0.00 0.00 174.94 175.32 3b78 s ALA 472 N -3.55 -0.11 0.40 2.27 0.00 -0.24 0.09 121.76 120.62 3b78 s ALA 472 Ca 0.34 0.30 0.12 0.00 0.00 0.00 0.00 51.96 52.72 3b78 s ALA 472 Cb 0.02 -0.21 0.84 0.00 0.00 0.00 0.00 23.12 23.77 3b78 s ALA 472 CO 0.19 -0.07 1.91 0.78 0.00 0.00 0.00 175.76 178.56 3b78 h GLY 473 N 6.62 0.09 -7.72 0.00 0.00 -1.78 0.43 103.07 100.71 3b78 h GLY 473 Ca -0.34 -0.06 -0.65 0.00 0.00 0.00 0.00 47.33 46.28 3b78 h GLY 473 CO 0.47 0.05 -0.45 -0.35 0.00 0.00 0.00 176.54 176.26 3b78 s ASP 474 N -6.94 6.08 0.54 0.19 -1.08 -1.26 -4.70 116.67 109.49 3b78 s ASP 474 Ca -0.04 -0.13 0.22 0.00 -0.52 0.00 0.00 52.55 52.08 3b78 s ASP 474 Cb 0.15 -2.15 1.41 0.00 -1.46 0.00 0.00 42.92 40.88 3b78 s ASP 474 CO 0.72 -0.16 2.10 1.55 0.52 0.00 0.00 175.17 179.90 3b78 h PRO 475 N 8.40 0.00 -0.84 4.34 0.13 -1.96 -2.36 132.00 139.71 3b78 h PRO 475 Ca -0.33 0.00 0.10 0.00 -0.87 0.00 0.00 66.00 64.90 3b78 h PRO 475 Cb 1.17 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.23 3b78 h PRO 475 CO 0.60 0.00 0.49 0.00 -0.23 0.00 0.00 178.00 178.86 3b78 h ALA 476 N 1.87 1.20 0.27 -0.56 0.00 -1.95 0.24 119.26 120.34 3b78 h ALA 476 Ca 0.10 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3b78 h ALA 476 Cb 0.41 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3b78 h ALA 476 CO -0.00 0.11 -0.13 1.25 0.00 0.00 0.00 179.25 180.48 3b78 h LEU 477 N 0.81 -0.31 -2.03 0.00 5.85 -1.82 -3.05 115.31 114.77 3b78 h LEU 477 Ca 0.40 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.94 3b78 h LEU 477 Cb 0.37 0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.47 3b78 h LEU 477 CO -0.25 0.01 -0.07 0.00 -0.34 0.00 0.00 178.44 177.79 3b78 h ALA 478 N -0.01 1.66 -0.64 1.25 0.00 -1.53 -2.57 119.26 117.42 3b78 h ALA 478 Ca -0.04 -0.06 0.10 0.00 0.00 0.00 0.00 54.91 54.91 3b78 h ALA 478 Cb 0.45 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 3b78 h ALA 478 CO 0.06 0.09 0.43 -0.92 0.00 0.00 0.00 179.25 178.91 3b78 h TYR 479 N 0.00 0.47 0.00 0.00 5.03 -0.42 -1.03 116.97 121.03 3b78 h TYR 479 Ca -0.00 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.32 3b78 h TYR 479 Cb 0.14 -0.15 0.00 0.00 1.55 0.00 0.00 36.73 38.27 3b78 h TYR 479 CO 0.00 0.22 0.00 0.78 -1.32 0.00 0.00 178.16 177.84 3b78 h GLY 480 N 0.44 0.00 -1.22 1.82 0.00 -1.53 -2.56 103.07 100.01 3b78 h GLY 480 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.63 3b78 h GLY 480 CO -0.09 0.00 -0.31 -1.72 0.00 0.00 0.00 176.54 174.43 3b78 n TYR 481 N -2.56 0.00 -1.91 5.60 4.01 -0.40 -4.71 117.16 117.19 3b78 n TYR 481 Ca 0.02 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.33 3b78 n TYR 481 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.29 3b78 n TYR 481 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3b78 n ALA 482 N 0.38 5.33 -3.71 -0.72 0.00 -0.97 -2.94 120.51 117.88 3b78 n ALA 482 Ca 0.10 -3.94 -0.00 0.00 0.00 0.00 0.00 53.44 49.59 3b78 n ALA 482 Cb 0.48 -3.46 -0.00 0.00 0.00 0.00 0.00 19.45 16.47 3b78 n ALA 482 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 3b78 s GLN 483 N 2.87 0.75 0.65 0.00 -2.07 -1.21 0.61 119.66 121.25 3b78 s GLN 483 Ca 0.46 -0.43 -0.16 0.00 -1.82 0.00 0.00 55.36 53.42 3b78 s GLN 483 Cb 0.12 0.25 -0.00 0.00 -1.09 0.00 0.00 33.01 32.29 3b78 s GLN 483 CO -0.06 -0.35 1.12 -0.51 -1.32 0.00 0.00 175.29 174.18 3b78 s ASP 484 N -3.06 5.09 -0.01 12.60 1.01 -0.40 -3.84 116.67 128.07 3b78 s ASP 484 Ca 0.15 2.07 0.10 0.00 0.71 0.00 0.00 52.55 55.58 3b78 s ASP 484 Cb 0.02 -2.56 -0.15 0.00 1.01 0.00 0.00 42.92 41.24 3b78 s ASP 484 CO -0.01 -1.64 0.30 0.00 0.21 0.00 0.00 175.17 174.03 3b78 n GLN 485 N -2.28 1.45 -4.85 8.23 1.13 -1.26 -4.90 117.38 114.90 3b78 n GLN 485 Ca 0.11 -0.06 -0.26 0.00 -1.94 0.00 0.00 57.00 54.85 3b78 n GLN 485 Cb 0.52 -1.16 -0.16 0.00 0.11 0.00 0.00 30.24 29.55 3b78 n GLN 485 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 3b78 s GLU 486 N -2.47 1.68 0.40 -1.09 0.41 -1.26 -5.12 118.70 111.24 3b78 s GLU 486 Ca -0.01 -0.62 -0.25 0.00 -0.41 0.00 0.00 54.97 53.68 3b78 s GLU 486 Cb 0.07 -1.50 -0.12 0.00 -1.78 0.00 0.00 34.13 30.80 3b78 s GLU 486 CO 0.43 0.29 0.92 -2.30 -0.49 0.00 0.00 175.26 174.12 3b78 n PRO 487 N 2.98 1.19 -0.18 0.39 -0.02 -1.26 -4.86 135.00 133.24 3b78 n PRO 487 Ca -0.17 0.43 -0.04 0.00 -2.02 0.00 0.00 63.50 61.70 3b78 n PRO 487 Cb 0.53 -1.90 0.03 0.00 -0.02 0.00 0.00 33.50 32.14 3b78 n PRO 487 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3b78 n ASP 488 N 0.77 -0.67 0.04 2.55 2.03 0.29 -4.79 116.55 116.76 3b78 n ASP 488 Ca 0.10 -0.78 0.07 0.00 0.52 0.00 0.00 54.79 54.70 3b78 n ASP 488 Cb 0.38 -0.13 0.31 0.00 -0.72 0.00 0.00 41.12 40.97 3b78 n ASP 488 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3b78 n ALA 489 N -3.18 1.49 -0.46 -1.67 0.00 -1.26 -1.95 120.51 113.47 3b78 n ALA 489 Ca -0.03 0.01 0.05 0.00 0.00 0.00 0.00 53.44 53.47 3b78 n ALA 489 Cb 0.07 -1.23 0.08 0.00 0.00 0.00 0.00 19.45 18.37 3b78 n ALA 489 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3b78 n ARG 490 N -1.73 2.35 -1.00 0.00 1.74 -1.26 -4.93 116.66 111.83 3b78 n ARG 490 Ca 0.02 -2.01 0.00 0.00 -0.77 0.00 0.00 57.85 55.09 3b78 n ARG 490 Cb 0.14 -1.25 0.00 0.00 -1.02 0.00 0.00 32.46 30.33 3b78 n ARG 490 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3b78 n GLY 491 N -0.78 0.66 3.75 -0.13 0.00 -0.82 -5.02 105.19 102.85 3b78 n GLY 491 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 3b78 n GLY 491 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3b78 s ARG 492 N -0.02 1.94 -0.30 1.61 0.52 -1.26 -4.46 118.95 116.98 3b78 s ARG 492 Ca 0.00 1.10 -0.02 0.00 -0.52 0.00 0.00 55.73 56.29 3b78 s ARG 492 Cb 0.00 -1.87 0.10 0.00 0.52 0.00 0.00 34.95 33.70 3b78 s ARG 492 CO 0.00 -1.84 0.11 0.42 0.02 0.00 0.00 175.30 174.01 3b78 s ILE 493 N -2.90 0.55 0.42 1.52 -1.09 -1.26 0.10 121.20 118.55 3b78 s ILE 493 Ca 0.62 -1.19 -0.22 0.00 -2.23 0.00 0.00 60.65 57.63 3b78 s ILE 493 Cb -0.18 -1.43 -0.10 0.00 -1.58 0.00 0.00 42.46 39.18 3b78 s ILE 493 CO 0.56 -0.70 1.00 -0.13 -1.23 0.00 0.00 174.94 174.44 3b78 s ARG 494 N 1.77 4.15 0.65 2.79 0.52 -1.26 -4.83 118.95 122.74 3b78 s ARG 494 Ca 0.10 1.30 -0.16 0.00 -0.52 0.00 0.00 55.73 56.45 3b78 s ARG 494 Cb -0.17 -2.33 -0.00 0.00 0.52 0.00 0.00 34.95 32.97 3b78 s ARG 494 CO -0.29 -0.12 1.14 0.54 0.02 0.00 0.00 175.30 176.59 3b78 s ASN 495 N -1.90 5.04 0.00 0.23 4.22 -1.26 -1.27 114.94 120.00 3b78 s ASN 495 Ca 0.61 2.11 0.00 0.00 -2.14 0.00 0.00 52.86 53.44 3b78 s ASN 495 Cb -0.15 -2.57 0.00 0.00 1.28 0.00 0.00 41.25 39.81 3b78 s ASN 495 CO 0.20 -1.68 0.00 0.61 -2.04 0.00 0.00 177.10 174.19 3b78 n GLY 496 N -0.19 2.81 3.07 0.45 0.00 0.20 -4.62 105.19 106.91 3b78 n GLY 496 Ca 0.11 -1.75 -0.12 0.00 0.00 0.00 0.00 46.02 44.26 3b78 n GLY 496 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3b78 s ALA 497 N -2.72 -0.44 -0.09 4.61 0.00 -0.50 -4.61 121.76 118.00 3b78 s ALA 497 Ca 0.00 0.44 -0.25 0.00 0.00 0.00 0.00 51.96 52.15 3b78 s ALA 497 Cb 0.00 -0.25 -0.03 0.00 0.00 0.00 0.00 23.12 22.84 3b78 s ALA 497 CO 0.00 -0.10 0.78 -0.51 0.00 0.00 0.00 175.76 175.93 3b78 s LEU 498 N -0.07 4.27 0.05 0.00 1.43 -1.26 -2.87 118.68 120.24 3b78 s LEU 498 Ca -0.02 1.24 0.05 0.00 -1.03 0.00 0.00 54.13 54.37 3b78 s LEU 498 Cb -0.02 -3.19 -0.04 0.00 0.03 0.00 0.00 46.19 42.97 3b78 s LEU 498 CO 0.00 -0.23 -0.07 -0.76 0.23 0.00 0.00 176.35 175.52 3b78 s LEU 499 N 1.29 3.16 -0.20 1.79 1.02 -0.08 -0.92 118.68 124.74 3b78 s LEU 499 Ca 0.39 -0.23 -0.10 0.00 0.02 0.00 0.00 54.13 54.22 3b78 s LEU 499 Cb -0.18 -1.87 -0.05 0.00 0.02 0.00 0.00 46.19 44.11 3b78 s LEU 499 CO 0.17 0.23 0.13 -0.13 0.02 0.00 0.00 176.35 176.78 3b78 s ARG 500 N -1.79 4.16 -0.17 1.70 0.52 0.21 -0.42 118.95 123.16 3b78 s ARG 500 Ca 0.20 -0.23 -0.06 0.00 -0.52 0.00 0.00 55.73 55.12 3b78 s ARG 500 Cb -0.11 -3.42 -0.03 0.00 0.52 0.00 0.00 34.95 31.91 3b78 s ARG 500 CO 0.11 0.28 0.01 0.08 0.02 0.00 0.00 175.30 175.80 3b78 s VAL 501 N 0.42 4.31 0.03 3.52 1.01 0.52 -1.49 120.40 128.72 3b78 s VAL 501 Ca 0.08 -0.21 0.09 0.00 0.00 0.00 0.00 61.98 61.94 3b78 s VAL 501 Cb -0.11 -2.92 -0.03 0.00 0.00 0.00 0.00 36.38 33.32 3b78 s VAL 501 CO -0.01 0.47 -0.25 -0.31 0.00 0.00 0.00 175.10 175.00 3b78 s TYR 502 N 0.45 2.17 0.17 5.22 1.51 -0.31 -1.36 117.35 125.20 3b78 s TYR 502 Ca -0.00 -0.40 0.08 0.00 -1.01 0.00 0.00 57.07 55.74 3b78 s TYR 502 Cb -0.13 -1.32 -0.04 0.00 -0.11 0.00 0.00 41.96 40.36 3b78 s TYR 502 CO 0.02 0.09 -0.17 0.14 -1.11 0.00 0.00 175.55 174.52 3b78 s VAL 503 N -0.76 1.76 0.40 0.71 -7.23 -0.60 -0.57 120.40 114.10 3b78 s VAL 503 Ca 0.10 -1.97 -0.27 0.00 -1.81 0.00 0.00 61.98 58.03 3b78 s VAL 503 Cb -0.10 -1.86 -0.10 0.00 0.56 0.00 0.00 36.38 34.88 3b78 s VAL 503 CO 0.01 -0.39 1.45 -2.84 -0.31 0.00 0.00 175.10 173.03 3b78 s PRO 504 N -2.98 4.00 0.59 4.82 0.02 -1.26 -0.54 135.00 139.66 3b78 s PRO 504 Ca 0.17 2.49 0.29 0.00 0.02 0.00 0.00 61.00 63.97 3b78 s PRO 504 Cb -0.05 -2.88 1.78 0.00 0.02 0.00 0.00 34.50 33.37 3b78 s PRO 504 CO 0.06 -0.59 2.22 0.00 -0.33 0.00 0.00 177.00 178.37 3b78 h ARG 505 N 2.83 0.00 0.00 5.54 3.08 -1.16 -1.20 114.38 123.47 3b78 h ARG 505 Ca -0.51 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.54 3b78 h ARG 505 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.30 3b78 h ARG 505 CO 0.63 0.00 0.00 -1.13 -1.07 0.00 0.00 179.97 178.40 3b78 n SER 506 N -3.85 0.49 0.01 7.04 3.41 -1.26 -2.01 113.62 117.45 3b78 n SER 506 Ca -0.02 0.68 0.11 0.00 -0.26 0.00 0.00 58.87 59.38 3b78 n SER 506 Cb 0.13 -0.76 0.03 0.00 -0.26 0.00 0.00 64.21 63.36 3b78 n SER 506 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3b78 n SER 507 N -2.11 0.66 -0.35 4.04 3.41 -0.45 -4.39 113.62 114.43 3b78 n SER 507 Ca 0.00 -0.38 0.13 0.00 -0.26 0.00 0.00 58.87 58.36 3b78 n SER 507 Cb 0.11 0.76 0.33 0.00 -0.26 0.00 0.00 64.21 65.15 3b78 n SER 507 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3b78 h LEU 508 N 0.00 0.78 0.00 1.04 3.38 -1.54 0.12 115.31 119.09 3b78 h LEU 508 Ca 0.00 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3b78 h LEU 508 Cb 0.64 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.34 3b78 h LEU 508 CO 0.00 0.28 0.00 -2.65 0.09 0.00 0.00 178.44 176.16 3b78 n PRO 509 N -4.75 0.00 -0.22 1.13 -0.02 -1.26 -0.69 135.00 129.19 3b78 n PRO 509 Ca 0.23 0.45 0.11 0.00 -2.02 0.00 0.00 63.50 62.28 3b78 n PRO 509 Cb 0.57 -1.50 0.23 0.00 -0.02 0.00 0.00 33.50 32.78 3b78 n PRO 509 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3b78 n GLY 510 N -1.38 1.89 3.68 -1.23 0.00 0.03 -4.93 105.19 103.25 3b78 n GLY 510 Ca 0.00 -0.73 -0.38 0.00 0.00 0.00 0.00 46.02 44.91 3b78 n GLY 510 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3b78 s PHE 511 N -1.35 3.39 0.18 1.61 0.40 0.13 -0.78 117.98 121.57 3b78 s PHE 511 Ca 0.40 0.64 0.05 0.00 -0.60 0.00 0.00 56.93 57.42 3b78 s PHE 511 Cb 0.23 -2.51 -0.05 0.00 0.51 0.00 0.00 43.02 41.20 3b78 s PHE 511 CO 0.31 0.03 -0.09 0.71 0.70 0.00 0.00 175.22 176.88 3b78 s TYR 512 N 1.17 1.45 0.09 0.36 1.51 -0.49 -2.84 117.35 118.59 3b78 s TYR 512 Ca 0.19 -0.74 0.04 0.00 -1.01 0.00 0.00 57.07 55.56 3b78 s TYR 512 Cb -0.15 -0.74 -0.03 0.00 -0.11 0.00 0.00 41.96 40.93 3b78 s TYR 512 CO 0.08 0.14 -0.11 -0.98 -1.11 0.00 0.00 175.55 173.57 3b78 s ARG 513 N -3.74 0.81 0.04 -0.62 1.70 -0.44 -0.36 118.95 116.34 3b78 s ARG 513 Ca 0.20 -1.08 -0.13 0.00 -0.47 0.00 0.00 55.73 54.25 3b78 s ARG 513 Cb 0.02 -0.56 0.02 0.00 -0.57 0.00 0.00 34.95 33.86 3b78 s ARG 513 CO 0.04 0.10 0.29 -0.08 -1.08 0.00 0.00 175.30 174.56 3b78 s THR 514 N -2.13 0.09 -0.97 4.99 -1.32 -0.06 -4.57 115.64 111.66 3b78 s THR 514 Ca 0.03 -0.71 0.27 0.00 -1.21 0.00 0.00 61.69 60.07 3b78 s THR 514 Cb -0.05 -0.92 0.15 0.00 -1.51 0.00 0.00 72.50 70.17 3b78 s THR 514 CO 0.00 -0.39 1.71 -1.20 -2.21 0.00 0.00 174.62 172.54 3b78 n SER 515 N 0.61 0.25 -4.80 8.08 7.64 -1.26 -4.23 113.62 119.92 3b78 n SER 515 Ca -0.19 0.22 -0.35 0.00 1.01 0.00 0.00 58.87 59.57 3b78 n SER 515 Cb 0.59 -0.22 -0.05 0.00 -1.01 0.00 0.00 64.21 63.52 3b78 n SER 515 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3b78 s LEU 516 N -3.14 4.01 -0.05 -3.43 1.43 -1.26 -4.65 118.68 111.59 3b78 s LEU 516 Ca 0.12 1.86 -0.30 0.00 -1.03 0.00 0.00 54.13 54.78 3b78 s LEU 516 Cb 0.18 -4.40 -0.04 0.00 0.03 0.00 0.00 46.19 41.96 3b78 s LEU 516 CO 0.60 -0.47 1.36 -0.89 0.23 0.00 0.00 176.35 177.18 3b78 s THR 517 N -1.93 3.92 1.00 5.49 2.01 -1.26 -3.91 115.64 120.96 3b78 s THR 517 Ca 0.61 1.24 -0.14 0.00 0.31 0.00 0.00 61.69 63.71 3b78 s THR 517 Cb -0.15 -3.80 0.19 0.00 0.01 0.00 0.00 72.50 68.75 3b78 s THR 517 CO 0.20 -0.04 1.13 -0.76 -0.69 0.00 0.00 174.62 174.46 3b78 s LEU 518 N 2.77 1.68 -1.53 4.42 1.43 -0.85 -4.10 118.68 122.50 3b78 s LEU 518 Ca 0.61 0.92 -0.00 0.00 -1.03 0.00 0.00 54.13 54.63 3b78 s LEU 518 Cb -0.28 -3.07 0.00 0.00 0.03 0.00 0.00 46.19 42.87 3b78 s LEU 518 CO 0.23 -3.04 0.04 0.00 0.23 0.00 0.00 176.35 173.81 3b78 n ALA 519 N -4.08 -0.56 -2.77 4.21 0.00 -1.26 -4.94 120.51 111.11 3b78 n ALA 519 Ca 0.08 0.15 -0.14 0.00 0.00 0.00 0.00 53.44 53.53 3b78 n ALA 519 Cb 0.59 -2.08 -0.11 0.00 0.00 0.00 0.00 19.45 17.84 3b78 n ALA 519 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3b78 s ALA 520 N -2.92 0.78 0.43 0.00 0.00 -1.26 -5.04 121.76 113.76 3b78 s ALA 520 Ca 0.02 -0.87 0.13 0.00 0.00 0.00 0.00 51.96 51.24 3b78 s ALA 520 Cb -0.01 0.01 1.01 0.00 0.00 0.00 0.00 23.12 24.13 3b78 s ALA 520 CO 0.03 0.02 1.99 -1.35 0.00 0.00 0.00 175.76 176.45 3b78 h PRO 521 N 4.33 0.41 -0.07 0.00 0.11 -1.94 -1.70 132.00 133.14 3b78 h PRO 521 Ca -0.37 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 65.61 3b78 h PRO 521 Cb 1.20 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 3b78 h PRO 521 CO 0.42 0.27 -0.43 0.93 -0.21 0.00 0.00 178.00 178.98 3b78 h GLU 522 N 0.42 0.15 0.00 1.05 3.07 -1.96 -3.06 114.58 114.25 3b78 h GLU 522 Ca 0.26 -0.08 -0.11 0.00 -0.50 0.00 0.00 59.36 58.93 3b78 h GLU 522 Cb 0.45 -0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.35 3b78 h GLU 522 CO -0.07 0.57 -1.01 0.00 -1.40 0.00 0.00 179.01 177.10 3b78 h ALA 523 N 1.43 0.65 -0.23 3.43 0.00 -1.57 -3.39 119.26 119.58 3b78 h ALA 523 Ca 0.01 -0.52 0.06 0.00 0.00 0.00 0.00 54.91 54.46 3b78 h ALA 523 Cb 0.82 0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.66 3b78 h ALA 523 CO 0.06 0.60 -0.33 0.00 0.00 0.00 0.00 179.25 179.58 3b78 h ALA 524 N 1.60 -0.32 -0.66 0.00 0.00 -1.23 0.27 119.26 118.92 3b78 h ALA 524 Ca -0.08 0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.92 3b78 h ALA 524 Cb 1.38 0.65 -0.05 0.00 0.00 0.00 0.00 17.79 19.77 3b78 h ALA 524 CO 0.04 -0.78 0.39 0.78 0.00 0.00 0.00 179.25 179.68 3b78 h GLY 525 N -0.35 0.95 0.96 0.00 0.00 -1.75 -1.03 103.07 101.85 3b78 h GLY 525 Ca 0.12 -0.29 -0.05 0.00 0.00 0.00 0.00 47.33 47.11 3b78 h GLY 525 CO -0.42 0.23 0.07 -2.09 0.00 0.00 0.00 176.54 174.32 3b78 h GLU 526 N 0.76 0.72 -0.75 4.80 4.57 -1.61 -2.05 114.58 121.03 3b78 h GLU 526 Ca 0.27 -0.20 -0.04 0.00 -1.18 0.00 0.00 59.36 58.22 3b78 h GLU 526 Cb 0.07 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 28.55 3b78 h GLU 526 CO -0.13 0.75 0.30 0.28 -1.18 0.00 0.00 179.01 179.04 3b78 h VAL 527 N 0.58 1.25 -0.11 0.32 2.07 -0.70 -2.30 116.25 117.37 3b78 h VAL 527 Ca 0.13 -0.78 -0.04 0.00 0.82 0.00 0.00 66.70 66.83 3b78 h VAL 527 Cb 0.38 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 3b78 h VAL 527 CO 0.01 0.32 -0.12 -0.33 0.02 0.00 0.00 177.57 177.46 3b78 h GLU 528 N 1.07 0.17 -0.45 1.57 5.08 -1.01 -1.60 114.58 119.41 3b78 h GLU 528 Ca 0.25 -0.04 -0.14 0.00 -1.00 0.00 0.00 59.36 58.44 3b78 h GLU 528 Cb 0.20 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 3b78 h GLU 528 CO -0.02 0.31 -0.26 -0.09 -1.00 0.00 0.00 179.01 177.95 3b78 h ARG 529 N 0.17 0.97 0.07 2.33 2.43 -0.87 -2.21 114.38 117.26 3b78 h ARG 529 Ca 0.04 -0.44 -0.00 0.00 -0.81 0.00 0.00 59.98 58.76 3b78 h ARG 529 Cb 0.33 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 3b78 h ARG 529 CO 0.02 1.11 -0.03 -0.07 -1.51 0.00 0.00 179.97 179.48 3b78 h LEU 530 N 0.81 -0.08 -0.08 3.80 3.38 -0.89 -3.22 115.31 119.03 3b78 h LEU 530 Ca 0.09 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 57.68 3b78 h LEU 530 Cb 0.84 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.61 3b78 h LEU 530 CO 0.07 0.36 0.00 2.30 0.09 0.00 0.00 178.44 181.26 3b78 n ILE 531 N -4.93 0.44 -0.92 1.22 -5.35 -0.65 -4.19 119.36 104.98 3b78 n ILE 531 Ca -0.08 -0.02 0.00 0.00 -0.27 0.00 0.00 62.75 62.38 3b78 n ILE 531 Cb 0.24 -0.69 0.00 0.00 -1.74 0.00 0.00 39.64 37.45 3b78 n ILE 531 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3b78 n GLY 532 N 1.02 0.49 3.55 3.28 0.00 -0.86 -4.99 105.19 107.68 3b78 n GLY 532 Ca 0.05 -0.41 -0.10 0.00 0.00 0.00 0.00 46.02 45.56 3b78 n GLY 532 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3b78 s HIS 533 N -2.00 -0.41 0.63 1.61 0.00 -1.04 -5.03 115.29 109.05 3b78 s HIS 533 Ca 0.00 0.15 -0.18 0.00 -3.00 0.00 0.00 55.06 52.04 3b78 s HIS 533 Cb 0.00 0.59 -0.02 0.00 -4.00 0.00 0.00 32.58 29.16 3b78 s HIS 533 CO 0.00 -0.88 1.20 -2.14 -1.00 0.00 0.00 174.74 171.92 3b78 s PRO 534 N -3.65 2.77 0.91 -0.38 0.02 -1.26 -4.49 135.00 128.92 3b78 s PRO 534 Ca 0.04 1.77 -0.10 0.00 0.02 0.00 0.00 61.00 62.73 3b78 s PRO 534 Cb -0.02 -1.91 0.14 0.00 0.02 0.00 0.00 34.50 32.73 3b78 s PRO 534 CO -0.07 -1.35 1.12 -0.51 -0.33 0.00 0.00 177.00 175.86 3b78 s LEU 535 N -4.40 2.62 0.90 -5.54 1.43 -1.26 -4.72 118.68 107.71 3b78 s LEU 535 Ca 0.76 2.01 -0.13 0.00 -1.03 0.00 0.00 54.13 55.74 3b78 s LEU 535 Cb -0.29 -4.40 0.14 0.00 0.03 0.00 0.00 46.19 41.67 3b78 s LEU 535 CO 0.37 -3.01 1.17 -2.16 0.23 0.00 0.00 176.35 172.95 3b78 s PRO 536 N -4.69 1.20 0.47 1.29 0.04 -1.25 -4.94 135.00 127.11 3b78 s PRO 536 Ca 0.66 0.14 -0.24 0.00 0.04 0.00 0.00 61.00 61.59 3b78 s PRO 536 Cb -0.22 -1.86 -0.07 0.00 0.04 0.00 0.00 34.50 32.39 3b78 s PRO 536 CO 0.58 -2.13 1.32 -0.51 0.04 0.00 0.00 177.00 176.31 3b78 s LEU 537 N -5.93 4.04 0.00 -3.56 1.43 -1.26 -5.00 118.68 108.40 3b78 s LEU 537 Ca 0.65 2.69 0.00 0.00 -1.03 0.00 0.00 54.13 56.43 3b78 s LEU 537 Cb -0.12 -4.09 0.00 0.00 0.03 0.00 0.00 46.19 42.01 3b78 s LEU 537 CO 0.52 -1.16 0.00 0.54 0.23 0.00 0.00 176.35 176.48 3b78 n ARG 538 N -0.41 0.00 -1.49 1.70 5.12 -1.26 -4.17 116.66 116.14 3b78 n ARG 538 Ca 0.07 0.00 -0.27 0.00 -1.93 0.00 0.00 57.85 55.72 3b78 n ARG 538 Cb 0.44 0.00 -0.06 0.00 -1.16 0.00 0.00 32.46 31.68 3b78 n ARG 538 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3b78 n LEU 539 N 0.00 6.53 -3.77 0.55 4.77 -1.26 -2.87 117.00 120.94 3b78 n LEU 539 Ca 0.00 -4.07 -0.09 0.00 -0.03 0.00 0.00 56.01 51.83 3b78 n LEU 539 Cb 0.00 -1.27 -0.03 0.00 -2.33 0.00 0.00 43.42 39.80 3b78 n LEU 539 CO 0.00 1.77 0.40 1.51 -1.33 0.00 0.00 177.39 179.73 3b78 s ASP 540 N 0.53 -0.30 0.08 -1.43 3.84 -1.26 -4.75 116.67 113.38 3b78 s ASP 540 Ca 0.59 -0.51 0.02 0.00 -0.00 0.00 0.00 52.55 52.65 3b78 s ASP 540 Cb 0.36 0.67 -0.04 0.00 -1.38 0.00 0.00 42.92 42.53 3b78 s ASP 540 CO -0.19 -1.21 -0.06 0.00 -0.00 0.00 0.00 175.17 173.71 3b78 s ALA 541 N -3.89 0.81 -0.03 2.11 0.00 0.04 -1.52 121.76 119.28 3b78 s ALA 541 Ca 0.10 -1.16 0.01 0.00 0.00 0.00 0.00 51.96 50.91 3b78 s ALA 541 Cb -0.04 0.14 0.02 0.00 0.00 0.00 0.00 23.12 23.24 3b78 s ALA 541 CO 0.02 -0.19 -0.03 -1.50 0.00 0.00 0.00 175.76 174.06 3b78 s ILE 542 N -2.99 0.34 -0.07 0.00 1.10 -0.89 -1.40 121.20 117.29 3b78 s ILE 542 Ca 0.05 -0.06 0.04 0.00 -0.51 0.00 0.00 60.65 60.16 3b78 s ILE 542 Cb 0.01 -0.37 -0.02 0.00 0.15 0.00 0.00 42.46 42.23 3b78 s ILE 542 CO -0.04 0.16 -0.18 -0.89 -2.11 0.00 0.00 174.94 171.88 3b78 s THR 543 N 0.64 2.72 0.04 4.00 2.01 0.51 -1.18 115.64 124.37 3b78 s THR 543 Ca -0.07 -0.83 -0.28 0.00 0.31 0.00 0.00 61.69 60.82 3b78 s THR 543 Cb -0.10 -2.06 0.10 0.00 0.01 0.00 0.00 72.50 70.45 3b78 s THR 543 CO -0.01 0.57 1.21 -0.83 -0.69 0.00 0.00 174.62 174.87 3b78 s GLY 544 N -0.29 -0.26 0.23 4.40 0.00 -0.84 -0.89 107.32 109.67 3b78 s GLY 544 Ca 0.01 0.34 -0.32 0.00 0.00 0.00 0.00 44.72 44.76 3b78 s GLY 544 CO 0.03 1.49 1.65 -1.05 0.00 0.00 0.00 173.10 175.21 3b78 n PRO 545 N -0.60 2.62 -0.17 2.90 -0.02 -1.25 -0.52 135.00 137.96 3b78 n PRO 545 Ca -0.05 0.94 -0.09 0.00 -2.02 0.00 0.00 63.50 62.28 3b78 n PRO 545 Cb 0.61 -2.75 0.05 0.00 -0.02 0.00 0.00 33.50 31.40 3b78 n PRO 545 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3b78 h GLU 546 N 5.93 0.97 -4.61 -0.52 4.81 -1.32 -2.26 114.58 117.58 3b78 h GLU 546 Ca -0.45 -0.34 -0.21 0.00 -0.13 0.00 0.00 59.36 58.23 3b78 h GLU 546 Cb 1.22 -0.07 -0.15 0.00 0.63 0.00 0.00 28.75 30.38 3b78 h GLU 546 CO 0.89 1.01 -0.69 -1.83 -0.73 0.00 0.00 179.01 177.65 3b78 s GLU 547 N -4.87 0.83 -0.11 1.92 -1.05 -1.26 -4.58 118.70 109.58 3b78 s GLU 547 Ca -0.11 -1.34 -0.32 0.00 -0.15 0.00 0.00 54.97 53.05 3b78 s GLU 547 Cb 0.13 -0.15 -0.10 0.00 -0.44 0.00 0.00 34.13 33.57 3b78 s GLU 547 CO 0.85 -0.04 1.99 -1.91 0.95 0.00 0.00 175.26 177.11 3b78 n GLU 548 N -0.04 2.21 -0.96 -4.83 0.00 -1.26 -0.93 120.64 114.83 3b78 n GLU 548 Ca -0.12 0.77 0.00 0.00 0.00 0.00 0.00 57.16 57.81 3b78 n GLU 548 Cb 0.61 -2.81 0.00 0.00 0.00 0.00 0.00 31.44 29.24 3b78 n GLU 548 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3b78 n GLY 549 N 4.88 0.67 0.00 8.31 0.00 -1.26 -5.03 105.19 112.76 3b78 n GLY 549 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 3b78 n GLY 549 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3b78 n GLY 550 N -2.65 1.83 3.76 -0.02 0.00 -0.10 -5.10 105.19 102.91 3b78 n GLY 550 Ca 0.00 -2.09 -0.32 0.00 0.00 0.00 0.00 46.02 43.60 3b78 n GLY 550 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3b78 s HIS 551 N 1.17 2.52 0.25 1.61 3.76 -1.26 -4.70 115.29 118.63 3b78 s HIS 551 Ca 0.00 1.57 -0.29 0.00 -0.15 0.00 0.00 55.06 56.19 3b78 s HIS 551 Cb 0.00 -3.14 -0.09 0.00 1.11 0.00 0.00 32.58 30.46 3b78 s HIS 551 CO 0.00 -1.85 0.93 -0.51 -0.85 0.00 0.00 174.74 172.47 3b78 s LEU 552 N -5.43 4.61 0.07 0.89 1.43 -1.26 -0.94 118.68 118.04 3b78 s LEU 552 Ca 0.65 1.92 0.06 0.00 -1.03 0.00 0.00 54.13 55.73 3b78 s LEU 552 Cb -0.20 -3.65 -0.03 0.00 0.03 0.00 0.00 46.19 42.35 3b78 s LEU 552 CO 0.49 0.13 -0.17 -1.83 0.23 0.00 0.00 176.35 175.20 3b78 s GLU 553 N -1.29 1.05 -0.13 1.70 -1.05 0.32 -4.35 118.70 114.95 3b78 s GLU 553 Ca 0.42 -0.97 0.00 0.00 -0.15 0.00 0.00 54.97 54.27 3b78 s GLU 553 Cb -0.25 -1.16 -0.01 0.00 -0.44 0.00 0.00 34.13 32.27 3b78 s GLU 553 CO 0.31 0.28 -0.14 0.99 0.95 0.00 0.00 175.26 177.64 3b78 s THR 554 N -1.05 2.95 -0.31 1.83 2.01 0.11 -1.98 115.64 119.21 3b78 s THR 554 Ca 0.03 -0.70 -0.08 0.00 0.31 0.00 0.00 61.69 61.25 3b78 s THR 554 Cb -0.09 -2.23 0.01 0.00 0.01 0.00 0.00 72.50 70.19 3b78 s THR 554 CO 0.03 0.53 0.13 -0.63 -0.69 0.00 0.00 174.62 173.98 3b78 s ILE 555 N 0.34 4.28 -0.21 1.82 1.01 -0.33 -0.78 121.20 127.34 3b78 s ILE 555 Ca -0.12 -0.64 -0.18 0.00 0.00 0.00 0.00 60.65 59.71 3b78 s ILE 555 Cb -0.16 -3.23 -0.03 0.00 0.01 0.00 0.00 42.46 39.04 3b78 s ILE 555 CO 0.06 0.02 0.51 -0.76 0.00 0.00 0.00 174.94 174.77 3b78 s LEU 556 N 1.54 4.13 0.42 2.97 1.43 0.33 -2.09 118.68 127.41 3b78 s LEU 556 Ca 0.03 0.64 -0.24 0.00 -1.03 0.00 0.00 54.13 53.53 3b78 s LEU 556 Cb -0.18 -2.69 -0.11 0.00 0.03 0.00 0.00 46.19 43.25 3b78 s LEU 556 CO 0.04 -0.20 1.01 0.61 0.23 0.00 0.00 176.35 178.04 3b78 n GLY 557 N 3.99 -0.21 0.29 -3.19 0.00 -0.58 -0.77 105.19 104.72 3b78 n GLY 557 Ca -0.05 0.14 0.06 0.00 0.00 0.00 0.00 46.02 46.17 3b78 n GLY 557 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3b78 h TRP 558 N 1.54 0.57 -0.77 1.61 4.06 -1.72 0.27 115.95 121.50 3b78 h TRP 558 Ca -0.44 0.04 0.09 0.00 2.06 0.00 0.00 58.89 60.63 3b78 h TRP 558 Cb 1.34 -0.13 -0.07 0.00 -1.00 0.00 0.00 29.16 29.30 3b78 h TRP 558 CO 0.44 0.08 0.43 -1.35 -3.56 0.00 0.00 178.44 174.48 3b78 h PRO 559 N 0.48 0.72 -0.18 0.49 0.11 -1.87 -0.45 132.00 131.30 3b78 h PRO 559 Ca 0.43 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 66.46 3b78 h PRO 559 Cb 0.66 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.60 3b78 h PRO 559 CO -0.40 0.48 -0.04 1.25 -0.21 0.00 0.00 178.00 179.07 3b78 h LEU 560 N 0.74 0.35 -1.49 2.35 6.46 -0.81 -3.18 115.31 119.73 3b78 h LEU 560 Ca 0.37 -0.36 0.06 0.00 -0.12 0.00 0.00 57.88 57.82 3b78 h LEU 560 Cb 0.32 -0.10 -0.04 0.00 -0.73 0.00 0.00 40.66 40.12 3b78 h LEU 560 CO -0.24 0.63 0.41 0.00 -0.62 0.00 0.00 178.44 178.63 3b78 h ALA 561 N 0.73 1.77 0.00 1.25 0.00 0.01 -0.08 119.26 122.94 3b78 h ALA 561 Ca 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3b78 h ALA 561 Cb 0.47 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3b78 h ALA 561 CO 0.02 0.13 0.00 0.39 0.00 0.00 0.00 179.25 179.79 3b78 n GLU 562 N -4.47 0.41 -0.35 0.00 1.02 -0.23 -2.17 120.64 114.84 3b78 n GLU 562 Ca 0.09 0.05 0.07 0.00 -0.02 0.00 0.00 57.16 57.35 3b78 n GLU 562 Cb 0.22 -1.50 0.22 0.00 -0.02 0.00 0.00 31.44 30.36 3b78 n GLU 562 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3b78 n ARG 563 N -1.23 3.01 -2.63 3.49 5.12 -0.05 -4.85 116.66 119.52 3b78 n ARG 563 Ca 0.12 -2.50 -0.26 0.00 -1.93 0.00 0.00 57.85 53.28 3b78 n ARG 563 Cb 0.17 -1.60 0.01 0.00 -1.16 0.00 0.00 32.46 29.88 3b78 n ARG 563 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 3b78 s THR 564 N -1.93 4.37 -0.17 0.55 -4.23 -0.92 -4.35 115.64 108.96 3b78 s THR 564 Ca 0.35 0.01 0.01 0.00 -1.18 0.00 0.00 61.69 60.88 3b78 s THR 564 Cb 0.24 -3.67 0.02 0.00 1.34 0.00 0.00 72.50 70.43 3b78 s THR 564 CO 0.13 -0.64 -0.19 -0.69 -0.54 0.00 0.00 174.62 172.70 3b78 s VAL 565 N -2.78 1.94 -0.14 2.29 1.01 0.26 -4.81 120.40 118.16 3b78 s VAL 565 Ca 0.49 -0.87 -0.02 0.00 0.00 0.00 0.00 61.98 61.58 3b78 s VAL 565 Cb -0.10 -1.76 -0.02 0.00 0.00 0.00 0.00 36.38 34.49 3b78 s VAL 565 CO 0.44 0.52 -0.06 -0.69 0.00 0.00 0.00 175.10 175.30 3b78 s VAL 566 N 1.30 3.69 0.20 2.92 1.01 -1.26 -1.16 120.40 127.09 3b78 s VAL 566 Ca 0.04 -0.44 0.07 0.00 0.00 0.00 0.00 61.98 61.65 3b78 s VAL 566 Cb -0.13 -2.59 -0.05 0.00 0.00 0.00 0.00 36.38 33.61 3b78 s VAL 566 CO -0.11 0.51 -0.13 0.27 0.00 0.00 0.00 175.10 175.64 3b78 s ILE 567 N 0.21 1.63 0.65 2.22 -4.36 -0.55 -4.60 121.20 116.39 3b78 s ILE 567 Ca -0.04 -2.18 -0.17 0.00 -0.26 0.00 0.00 60.65 58.00 3b78 s ILE 567 Cb -0.14 -2.03 -0.01 0.00 1.25 0.00 0.00 42.46 41.53 3b78 s ILE 567 CO 0.03 -0.61 1.19 -2.84 0.24 0.00 0.00 174.94 172.95 3b78 s PRO 568 N -3.67 2.69 0.29 0.37 0.02 -1.26 0.67 135.00 134.11 3b78 s PRO 568 Ca 0.22 1.73 -0.05 0.00 0.02 0.00 0.00 61.00 62.92 3b78 s PRO 568 Cb 0.00 -1.90 -0.05 0.00 0.02 0.00 0.00 34.50 32.57 3b78 s PRO 568 CO 0.06 -1.40 0.55 0.45 -0.33 0.00 0.00 177.00 176.33 3b78 s SER 569 N -1.90 6.44 0.00 2.53 0.15 -0.10 -4.51 113.70 116.31 3b78 s SER 569 Ca 0.75 0.70 0.26 0.00 0.70 0.00 0.00 55.95 58.36 3b78 s SER 569 Cb -0.28 -2.14 1.34 0.00 -1.71 0.00 0.00 66.02 63.23 3b78 s SER 569 CO 0.38 -0.20 1.89 0.00 1.20 0.00 0.00 173.24 176.51 3b78 n ALA 570 N -0.98 2.62 -2.60 5.45 0.00 -1.26 -4.75 120.51 118.99 3b78 n ALA 570 Ca -0.02 -0.29 -0.42 0.00 0.00 0.00 0.00 53.44 52.71 3b78 n ALA 570 Cb 0.54 -1.32 -0.04 0.00 0.00 0.00 0.00 19.45 18.63 3b78 n ALA 570 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3b78 s ILE 571 N -1.97 4.67 0.44 0.00 1.01 -1.26 -4.81 121.20 119.27 3b78 s ILE 571 Ca 0.39 1.13 -0.19 0.00 0.00 0.00 0.00 60.65 61.97 3b78 s ILE 571 Cb 0.19 -4.26 -0.10 0.00 0.01 0.00 0.00 42.46 38.30 3b78 s ILE 571 CO 0.31 -0.44 0.93 -2.84 0.00 0.00 0.00 174.94 172.90 3b78 s PRO 572 N 3.26 4.13 0.25 2.79 0.02 -1.26 -4.44 135.00 139.75 3b78 s PRO 572 Ca 0.35 1.02 -0.03 0.00 0.02 0.00 0.00 61.00 62.36 3b78 s PRO 572 Cb -0.13 -2.20 -0.05 0.00 0.02 0.00 0.00 34.50 32.15 3b78 s PRO 572 CO 0.17 -0.07 0.47 0.95 -0.33 0.00 0.00 177.00 178.19 3b78 s THR 573 N -2.28 5.12 -0.43 0.99 -4.23 -1.26 -5.02 115.64 108.54 3b78 s THR 573 Ca 0.60 -0.18 -0.18 0.00 -1.18 0.00 0.00 61.69 60.75 3b78 s THR 573 Cb -0.09 -3.74 0.02 0.00 1.34 0.00 0.00 72.50 70.03 3b78 s THR 573 CO 0.18 -0.26 0.46 -0.62 -0.54 0.00 0.00 174.62 173.84 3b78 s ASP 574 N -3.22 6.21 0.54 3.99 -1.08 -1.26 -4.91 116.67 116.94 3b78 s ASP 574 Ca 0.41 -0.67 0.32 0.00 -0.52 0.00 0.00 52.55 52.09 3b78 s ASP 574 Cb -0.11 -2.23 1.42 0.00 -1.46 0.00 0.00 42.92 40.54 3b78 s ASP 574 CO 0.30 -0.61 2.01 1.55 0.52 0.00 0.00 175.17 178.94 3b78 h PRO 575 N 8.75 0.00 -0.59 4.34 0.13 -1.97 -2.47 132.00 140.19 3b78 h PRO 575 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 3b78 h PRO 575 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 3b78 h PRO 575 CO 0.81 0.06 0.00 0.54 -0.23 0.00 0.00 178.00 179.18 3b78 n ARG 576 N -3.22 3.02 -2.69 0.86 1.74 -1.26 -4.45 116.66 110.67 3b78 n ARG 576 Ca -0.00 -2.57 -0.07 0.00 -0.77 0.00 0.00 57.85 54.43 3b78 n ARG 576 Cb 0.29 -1.58 0.09 0.00 -1.02 0.00 0.00 32.46 30.24 3b78 n ARG 576 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3b78 n ASN 577 N 1.13 -0.66 -4.69 0.55 5.15 -0.95 -5.12 115.26 110.67 3b78 n ASN 577 Ca 0.21 -2.51 -0.42 0.00 -0.60 0.00 0.00 54.58 51.26 3b78 n ASN 577 Cb 0.65 0.44 -0.03 0.00 -0.53 0.00 0.00 39.78 40.31 3b78 n ASN 577 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3b78 s VAL 578 N -1.04 2.74 0.00 3.44 1.01 -1.07 -2.13 120.40 123.34 3b78 s VAL 578 Ca 0.23 0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.49 3b78 s VAL 578 Cb 0.42 -3.18 0.00 0.00 0.00 0.00 0.00 36.38 33.62 3b78 s VAL 578 CO -0.05 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.66 3b78 n GLY 579 N 4.07 0.40 3.88 4.51 0.00 -1.26 -5.09 105.19 111.70 3b78 n GLY 579 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 3b78 n GLY 579 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3b78 s GLY 580 N -1.46 1.66 0.34 -0.02 0.00 -0.91 -5.07 107.32 101.86 3b78 s GLY 580 Ca 0.00 -0.86 -0.07 0.00 0.00 0.00 0.00 44.72 43.79 3b78 s GLY 580 CO 0.00 -0.23 0.65 0.99 0.00 0.00 0.00 173.10 174.51 3b78 s ASP 581 N -4.58 6.48 0.01 1.64 1.11 -1.26 -4.89 116.67 115.18 3b78 s ASP 581 Ca 0.67 0.89 -0.30 0.00 0.18 0.00 0.00 52.55 54.00 3b78 s ASP 581 Cb -0.09 -2.22 -0.07 0.00 1.07 0.00 0.00 42.92 41.61 3b78 s ASP 581 CO 0.52 -0.28 1.76 -0.22 1.18 0.00 0.00 175.17 178.12 3b78 s LEU 582 N -3.67 4.37 -0.36 1.23 2.96 -1.26 -4.96 118.68 116.99 3b78 s LEU 582 Ca 0.47 2.45 -0.28 0.00 -0.22 0.00 0.00 54.13 56.55 3b78 s LEU 582 Cb -0.11 -3.54 0.02 0.00 0.50 0.00 0.00 46.19 43.06 3b78 s LEU 582 CO 0.30 -0.96 1.03 -0.62 -1.32 0.00 0.00 176.35 174.78 3b78 s ASP 583 N 3.48 6.79 0.57 3.68 -1.08 -1.26 -4.91 116.67 123.93 3b78 s ASP 583 Ca 0.79 0.79 0.30 0.00 -0.52 0.00 0.00 52.55 53.90 3b78 s ASP 583 Cb -0.38 -2.51 1.46 0.00 -1.46 0.00 0.00 42.92 40.02 3b78 s ASP 583 CO 0.34 -0.92 1.88 -0.65 0.52 0.00 0.00 175.17 176.34 3b78 h PRO 584 N 8.40 0.00 0.00 4.34 0.11 -1.98 0.70 132.00 143.57 3b78 h PRO 584 Ca -0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.89 3b78 h PRO 584 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3b78 h PRO 584 CO 1.03 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 179.48 3b78 h SER 585 N 0.00 0.00 -0.26 -2.05 4.64 -2.03 -2.85 113.55 111.00 3b78 h SER 585 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 3b78 h SER 585 Cb 1.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.55 3b78 h SER 585 CO -0.00 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.42 3b78 n SER 586 N -2.76 1.59 -4.52 4.97 3.41 0.24 -4.75 113.62 111.80 3b78 n SER 586 Ca 0.03 -1.90 -0.41 0.00 -0.26 0.00 0.00 58.87 56.33 3b78 n SER 586 Cb 0.39 -0.17 -0.09 0.00 -0.26 0.00 0.00 64.21 64.08 3b78 n SER 586 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3b78 s ILE 587 N -1.66 5.18 0.05 -1.33 1.01 -1.08 -4.58 121.20 118.79 3b78 s ILE 587 Ca 0.24 -0.14 -0.32 0.00 0.00 0.00 0.00 60.65 60.43 3b78 s ILE 587 Cb 0.13 -3.86 -0.11 0.00 0.01 0.00 0.00 42.46 38.62 3b78 s ILE 587 CO 0.18 -0.17 1.84 -2.65 0.00 0.00 0.00 174.94 174.13 3b78 n PRO 588 N 5.37 2.51 -0.29 2.79 -0.02 -1.26 -4.86 135.00 139.24 3b78 n PRO 588 Ca -0.09 0.92 0.23 0.00 -2.02 0.00 0.00 63.50 62.53 3b78 n PRO 588 Cb 0.49 -2.79 0.54 0.00 -0.02 0.00 0.00 33.50 31.72 3b78 n PRO 588 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3b78 h ASP 589 N 8.70 0.36 -0.48 2.55 3.32 -1.96 0.13 116.42 129.05 3b78 h ASP 589 Ca -0.47 0.06 -0.05 0.00 0.02 0.00 0.00 57.03 56.58 3b78 h ASP 589 Cb 1.25 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.76 3b78 h ASP 589 CO 0.94 0.10 0.12 0.11 -1.72 0.00 0.00 179.24 178.79 3b78 h LYS 590 N 0.34 0.82 -0.16 3.56 1.57 -1.99 -2.11 116.57 118.61 3b78 h LYS 590 Ca 0.54 -0.17 -0.22 0.00 -1.87 0.00 0.00 60.65 58.93 3b78 h LYS 590 Cb 1.47 -0.12 0.01 0.00 0.08 0.00 0.00 32.23 33.66 3b78 h LYS 590 CO -0.21 0.75 -0.76 1.49 -0.57 0.00 0.00 179.45 180.15 3b78 h GLU 591 N 0.79 0.78 -0.07 3.15 4.81 -1.13 -3.07 114.58 119.84 3b78 h GLU 591 Ca 0.17 -0.62 0.01 0.00 -0.13 0.00 0.00 59.36 58.79 3b78 h GLU 591 Cb 0.30 0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.80 3b78 h GLU 591 CO -0.00 1.23 0.04 0.37 -0.73 0.00 0.00 179.01 179.93 3b78 h GLN 592 N 0.54 0.06 0.00 1.92 5.75 -1.17 -1.30 115.11 120.91 3b78 h GLN 592 Ca -0.05 -0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.45 3b78 h GLN 592 Cb 1.38 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.92 3b78 h GLN 592 CO 0.16 0.04 0.00 0.00 -2.65 0.00 0.00 178.83 176.38 3b78 h ALA 593 N 1.96 1.00 -0.14 3.38 0.00 -1.29 -2.99 119.26 121.18 3b78 h ALA 593 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3b78 h ALA 593 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3b78 h ALA 593 CO -0.00 0.00 0.00 0.44 0.00 0.00 0.00 179.25 179.69 3b78 n ILE 594 N -2.80 1.96 -0.78 0.00 -5.35 -0.52 -4.63 119.36 107.25 3b78 n ILE 594 Ca 0.02 -1.93 0.08 0.00 -0.27 0.00 0.00 62.75 60.65 3b78 n ILE 594 Cb 0.35 -0.15 0.24 0.00 -1.74 0.00 0.00 39.64 38.33 3b78 n ILE 594 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 3b78 n SER 595 N -0.82 3.69 -4.77 7.28 7.64 -1.00 -4.96 113.62 120.67 3b78 n SER 595 Ca 0.17 -2.75 -0.40 0.00 1.01 0.00 0.00 58.87 56.90 3b78 n SER 595 Cb 0.72 -0.47 -0.01 0.00 -1.01 0.00 0.00 64.21 63.44 3b78 n SER 595 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3b78 s ALA 596 N -2.35 3.33 0.12 -0.43 0.00 -1.26 -5.01 121.76 116.17 3b78 s ALA 596 Ca 0.38 1.25 0.02 0.00 0.00 0.00 0.00 51.96 53.61 3b78 s ALA 596 Cb 0.29 -3.49 -0.04 0.00 0.00 0.00 0.00 23.12 19.88 3b78 s ALA 596 CO 0.11 -0.79 0.25 -0.51 0.00 0.00 0.00 175.76 174.82 3b78 s LEU 597 N -2.26 4.30 0.77 0.00 1.43 -1.26 -4.83 118.68 116.84 3b78 s LEU 597 Ca 0.55 0.18 -0.11 0.00 -1.03 0.00 0.00 54.13 53.71 3b78 s LEU 597 Cb -0.39 -2.88 0.06 0.00 0.03 0.00 0.00 46.19 43.01 3b78 s LEU 597 CO 0.50 0.09 1.11 -2.84 0.23 0.00 0.00 176.35 175.44 3b78 s PRO 598 N -3.00 2.18 -0.31 1.29 0.02 -1.26 -4.99 135.00 128.94 3b78 s PRO 598 Ca 0.34 1.28 -0.24 0.00 0.02 0.00 0.00 61.00 62.41 3b78 s PRO 598 Cb -0.12 -1.88 0.00 0.00 0.02 0.00 0.00 34.50 32.53 3b78 s PRO 598 CO 0.28 -1.71 0.81 0.34 -0.33 0.00 0.00 177.00 176.39 3b78 s ASP 599 N -3.10 6.68 0.21 2.53 2.15 -1.26 -5.04 116.67 118.84 3b78 s ASP 599 Ca 0.63 0.67 -0.15 0.00 0.43 0.00 0.00 52.55 54.14 3b78 s ASP 599 Cb -0.19 -2.42 -0.08 0.00 -0.30 0.00 0.00 42.92 39.94 3b78 s ASP 599 CO 0.53 -0.64 0.62 -0.31 -0.17 0.00 0.00 175.17 175.20 3b78 s TYR 600 N 3.01 3.53 0.32 -5.34 2.02 -1.26 -5.06 117.35 114.58 3b78 s TYR 600 Ca 0.33 1.12 -0.27 0.00 -0.37 0.00 0.00 57.07 57.88 3b78 s TYR 600 Cb -0.14 -2.43 -0.09 0.00 -0.40 0.00 0.00 41.96 38.90 3b78 s TYR 600 CO 0.13 0.31 1.03 0.00 -1.57 0.00 0.00 175.55 175.45 3b78 s ALA 601 N -1.65 3.25 -1.65 3.71 0.00 -1.13 -4.72 121.76 119.57 3b78 s ALA 601 Ca 0.44 0.72 0.14 0.00 0.00 0.00 0.00 51.96 53.26 3b78 s ALA 601 Cb -0.14 -3.27 0.08 0.00 0.00 0.00 0.00 23.12 19.80 3b78 s ALA 601 CO 0.20 -0.07 0.90 -1.13 0.00 0.00 0.00 175.76 175.66 3b78 n SER 602 N 0.66 2.00 -4.27 0.00 3.41 -1.26 -1.33 113.62 112.84 3b78 n SER 602 Ca 0.01 -1.50 -0.25 0.00 -0.26 0.00 0.00 58.87 56.87 3b78 n SER 602 Cb 0.48 0.12 -0.13 0.00 -0.26 0.00 0.00 64.21 64.41 3b78 n SER 602 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3b78 s GLN 603 N -1.31 1.26 0.82 4.33 -1.52 -1.26 -4.91 119.66 117.06 3b78 s GLN 603 Ca 0.15 -1.07 -0.14 0.00 -1.95 0.00 0.00 55.36 52.36 3b78 s GLN 603 Cb 0.12 -1.46 0.05 0.00 -0.22 0.00 0.00 33.01 31.49 3b78 s GLN 603 CO 0.22 0.36 0.93 -2.30 -0.25 0.00 0.00 175.29 174.24 3b78 n PRO 604 N 1.43 0.11 0.00 2.91 -0.02 -1.26 -5.04 135.00 133.14 3b78 n PRO 604 Ca -0.18 0.10 0.15 0.00 -2.02 0.00 0.00 63.50 61.55 3b78 n PRO 604 Cb 0.53 -2.21 0.91 0.00 -0.02 0.00 0.00 33.50 32.71 3b78 n PRO 604 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89