#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dob s VAL 397 N 0.00 0.00 -0.34 5.18 -7.23 -1.26 -1.72 120.40 115.02 3dob s VAL 397 Ca 0.00 -2.00 -0.28 0.00 -1.81 0.00 0.00 61.98 57.89 3dob s VAL 397 Cb 0.00 -2.50 0.02 0.00 0.56 0.00 0.00 36.38 34.46 3dob s VAL 397 CO 0.00 0.00 1.03 0.00 -0.31 0.00 0.00 175.10 175.82 3dob s ALA 398 N -4.13 3.45 -0.18 1.32 0.00 -0.22 -4.80 121.76 117.20 3dob s ALA 398 Ca 0.39 -0.19 0.21 0.00 0.00 0.00 0.00 51.96 52.37 3dob s ALA 398 Cb 0.07 -3.65 0.43 0.00 0.00 0.00 0.00 23.12 19.98 3dob s ALA 398 CO 0.13 -1.56 1.62 -1.00 0.00 0.00 0.00 175.76 174.95 3dob h PRO 399 N 8.27 0.00 -6.14 0.00 0.13 -1.94 0.47 132.00 132.78 3dob h PRO 399 Ca -0.21 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.36 3dob h PRO 399 Cb 1.07 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.01 3dob h PRO 399 CO 1.02 0.23 -0.80 -0.51 -0.23 0.00 0.00 178.00 177.71 3dob s LEU 400 N -6.41 2.40 0.42 1.56 1.43 -1.26 -4.53 118.68 112.30 3dob s LEU 400 Ca 0.04 -0.82 -0.26 0.00 -1.03 0.00 0.00 54.13 52.06 3dob s LEU 400 Cb 0.07 -0.92 -0.09 0.00 0.03 0.00 0.00 46.19 45.28 3dob s LEU 400 CO 0.68 0.02 1.43 -0.44 0.23 0.00 0.00 176.35 178.27 3dob s SER 401 N -2.48 6.06 -0.06 2.29 0.01 -1.26 -4.37 113.70 113.89 3dob s SER 401 Ca 0.15 2.93 0.05 0.00 1.31 0.00 0.00 55.95 60.39 3dob s SER 401 Cb -0.07 -2.66 -0.01 0.00 0.21 0.00 0.00 66.02 63.50 3dob s SER 401 CO 0.07 -1.05 -0.21 -0.76 0.41 0.00 0.00 173.24 171.69 3dob s LEU 402 N -2.50 2.00 0.00 2.44 1.43 0.13 -0.45 118.68 121.72 3dob s LEU 402 Ca 0.58 -0.45 -0.02 0.00 -1.03 0.00 0.00 54.13 53.22 3dob s LEU 402 Cb -0.44 -1.20 0.01 0.00 0.03 0.00 0.00 46.19 44.59 3dob s LEU 402 CO 0.58 0.19 0.08 0.61 0.23 0.00 0.00 176.35 178.04 3dob n GLY 403 N 3.10 1.41 3.41 -3.19 0.00 0.07 -0.84 105.19 109.15 3dob n GLY 403 Ca -0.18 -0.96 -0.25 0.00 0.00 0.00 0.00 46.02 44.62 3dob n GLY 403 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3dob s ILE 404 N -2.63 2.26 -0.09 -0.61 -4.36 0.00 -0.28 121.20 115.50 3dob s ILE 404 Ca 0.02 -2.07 -0.30 0.00 -0.26 0.00 0.00 60.65 58.04 3dob s ILE 404 Cb -0.00 -2.10 -0.03 0.00 1.25 0.00 0.00 42.46 41.58 3dob s ILE 404 CO 0.01 -0.20 1.29 -0.70 0.24 0.00 0.00 174.94 175.57 3dob s GLU 405 N -2.83 4.29 0.35 0.37 2.12 -0.55 -1.52 118.70 120.94 3dob s GLU 405 Ca 0.21 1.75 0.08 0.00 0.36 0.00 0.00 54.97 57.37 3dob s GLU 405 Cb -0.07 -3.66 -0.03 0.00 0.26 0.00 0.00 34.13 30.63 3dob s GLU 405 CO 0.10 -0.59 0.31 0.95 -0.54 0.00 0.00 175.26 175.49 3dob s THR 406 N 2.83 3.35 -0.16 -1.70 -4.23 0.05 -4.73 115.64 111.05 3dob s THR 406 Ca 0.58 -1.37 -0.41 0.00 -1.18 0.00 0.00 61.69 59.31 3dob s THR 406 Cb -0.25 -3.14 -0.19 0.00 1.34 0.00 0.00 72.50 70.25 3dob s THR 406 CO 0.20 -0.14 1.34 0.00 -0.54 0.00 0.00 174.62 175.48 3dob n ALA 407 N -1.41 -2.18 -0.23 3.99 0.00 -0.08 -2.05 120.51 118.56 3dob n ALA 407 Ca -0.01 0.53 0.00 0.00 0.00 0.00 0.00 53.44 53.97 3dob n ALA 407 Cb 0.60 -1.91 0.00 0.00 0.00 0.00 0.00 19.45 18.14 3dob n ALA 407 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dob n GLY 408 N 2.67 0.87 2.28 0.00 0.00 -1.26 -4.21 105.19 105.54 3dob n GLY 408 Ca 0.24 -0.17 -0.13 0.00 0.00 0.00 0.00 46.02 45.96 3dob n GLY 408 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dob n GLY 409 N -2.23 0.33 3.76 -0.02 0.00 -1.00 -5.00 105.19 101.02 3dob n GLY 409 Ca 0.00 -0.38 -0.40 0.00 0.00 0.00 0.00 46.02 45.25 3dob n GLY 409 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dob s VAL 410 N -2.58 4.48 -0.44 1.61 1.01 -0.87 -1.25 120.40 122.36 3dob s VAL 410 Ca 0.00 1.71 -0.27 0.00 0.00 0.00 0.00 61.98 63.42 3dob s VAL 410 Cb 0.00 -4.15 0.03 0.00 0.00 0.00 0.00 36.38 32.26 3dob s VAL 410 CO 0.00 0.46 1.03 -0.32 0.00 0.00 0.00 175.10 176.27 3dob s MET 411 N -0.74 3.70 -0.28 2.72 1.75 -0.08 -0.77 119.30 125.59 3dob s MET 411 Ca 0.37 0.47 -0.05 0.00 -1.25 0.00 0.00 55.69 55.23 3dob s MET 411 Cb -0.22 -3.88 0.01 0.00 2.84 0.00 0.00 34.83 33.58 3dob s MET 411 CO 0.26 -1.22 0.04 0.99 -0.65 0.00 0.00 175.02 174.44 3dob s THR 412 N 3.99 3.67 0.42 10.11 2.01 -0.57 -4.93 115.64 130.35 3dob s THR 412 Ca 0.42 -0.80 -0.22 0.00 0.31 0.00 0.00 61.69 61.40 3dob s THR 412 Cb -0.09 -2.90 -0.10 0.00 0.01 0.00 0.00 72.50 69.43 3dob s THR 412 CO 0.26 0.10 1.00 0.20 -0.69 0.00 0.00 174.62 175.49 3dob s ASN 413 N 1.45 6.77 -0.09 3.53 0.01 -1.26 -0.82 114.94 124.52 3dob s ASN 413 Ca 0.02 1.87 0.02 0.00 -0.71 0.00 0.00 52.86 54.06 3dob s ASN 413 Cb -0.17 -2.56 -0.07 0.00 0.41 0.00 0.00 41.25 38.86 3dob s ASN 413 CO 0.01 -0.48 -0.07 0.18 -1.51 0.00 0.00 177.10 175.23 3dob n LEU 414 N -0.43 2.42 -3.92 0.60 7.99 -0.02 -4.91 117.00 118.73 3dob n LEU 414 Ca 0.06 -0.04 -0.26 0.00 -0.01 0.00 0.00 56.01 55.76 3dob n LEU 414 Cb 0.52 -0.24 -0.17 0.00 -0.11 0.00 0.00 43.42 43.42 3dob n LEU 414 CO 0.41 0.57 -0.44 -0.63 -1.51 0.00 0.00 177.39 175.79 3dob s ILE 415 N -2.19 1.01 0.45 -0.08 1.01 -0.80 -4.82 121.20 115.77 3dob s ILE 415 Ca -0.11 -0.29 -0.20 0.00 0.00 0.00 0.00 60.65 60.04 3dob s ILE 415 Cb 0.03 -1.02 -0.10 0.00 0.01 0.00 0.00 42.46 41.38 3dob s ILE 415 CO 0.24 0.36 0.95 -1.81 0.00 0.00 0.00 174.94 174.69 3dob s ASP 416 N 1.57 6.87 0.56 3.58 1.01 -1.26 0.19 116.67 129.19 3dob s ASP 416 Ca 0.02 1.66 -0.21 0.00 0.71 0.00 0.00 52.55 54.73 3dob s ASP 416 Cb -0.13 -2.53 -0.04 0.00 1.01 0.00 0.00 42.92 41.23 3dob s ASP 416 CO -0.07 -0.41 1.28 0.00 0.21 0.00 0.00 175.17 176.19 3dob s ARG 417 N -3.37 3.11 0.00 8.23 1.70 -1.26 -2.48 118.95 124.88 3dob s ARG 417 Ca 0.61 2.03 0.00 0.00 -0.47 0.00 0.00 55.73 57.90 3dob s ARG 417 Cb -0.09 -2.14 0.00 0.00 -0.57 0.00 0.00 34.95 32.15 3dob s ARG 417 CO 0.17 -1.15 0.00 0.09 -1.08 0.00 0.00 175.30 173.33 3dob n ASN 418 N -1.21 -4.30 -4.69 -2.89 3.02 0.16 -4.93 115.26 100.43 3dob n ASN 418 Ca 0.11 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.24 3dob n ASN 418 Cb 0.47 -1.85 -0.03 0.00 -0.61 0.00 0.00 39.78 37.76 3dob n ASN 418 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3dob s THR 419 N -1.56 2.83 0.36 3.41 2.01 -1.04 -4.80 115.64 116.85 3dob s THR 419 Ca 0.00 0.36 -0.28 0.00 0.31 0.00 0.00 61.69 62.08 3dob s THR 419 Cb 0.00 -3.23 -0.11 0.00 0.01 0.00 0.00 72.50 69.17 3dob s THR 419 CO 0.00 0.00 1.47 -0.13 -0.69 0.00 0.00 174.62 175.28 3dob s ARG 420 N 2.40 4.15 0.11 4.92 1.81 -1.26 -1.06 118.95 130.03 3dob s ARG 420 Ca 0.75 2.52 0.07 0.00 -1.72 0.00 0.00 55.73 57.35 3dob s ARG 420 Cb -0.42 -2.99 -0.04 0.00 -0.45 0.00 0.00 34.95 31.05 3dob s ARG 420 CO 0.33 -0.50 -0.06 0.96 -0.68 0.00 0.00 175.30 175.35 3dob s ILE 421 N -0.98 3.56 0.54 1.52 -4.36 -0.70 -4.21 121.20 116.58 3dob s ILE 421 Ca 0.54 -1.24 -0.20 0.00 -0.26 0.00 0.00 60.65 59.48 3dob s ILE 421 Cb -0.46 -2.70 -0.06 0.00 1.25 0.00 0.00 42.46 40.50 3dob s ILE 421 CO 0.60 0.07 1.15 -2.16 0.24 0.00 0.00 174.94 174.84 3dob s PRO 422 N -2.36 3.36 0.10 0.37 0.04 -1.26 -4.85 135.00 130.39 3dob s PRO 422 Ca 0.23 1.69 -0.11 0.00 0.04 0.00 0.00 61.00 62.85 3dob s PRO 422 Cb -0.11 -2.06 0.01 0.00 0.04 0.00 0.00 34.50 32.38 3dob s PRO 422 CO 0.16 -0.86 0.27 -0.08 0.04 0.00 0.00 177.00 176.52 3dob s THR 423 N -1.69 0.11 -0.07 1.26 -1.32 -0.58 -5.01 115.64 108.34 3dob s THR 423 Ca 0.72 -0.95 -0.04 0.00 -1.21 0.00 0.00 61.69 60.21 3dob s THR 423 Cb -0.26 -1.26 0.03 0.00 -1.51 0.00 0.00 72.50 69.50 3dob s THR 423 CO 0.30 -0.52 0.17 -0.75 -2.21 0.00 0.00 174.62 171.60 3dob s LYS 424 N -3.81 0.14 0.03 7.08 2.20 -1.26 -0.72 119.74 123.40 3dob s LYS 424 Ca 0.04 0.36 -0.05 0.00 -0.36 0.00 0.00 55.97 55.96 3dob s LYS 424 Cb 0.04 -0.09 -0.01 0.00 -1.51 0.00 0.00 37.83 36.25 3dob s LYS 424 CO -0.11 -0.13 0.08 0.00 -0.36 0.00 0.00 175.35 174.83 3dob s ALA 425 N 0.89 -0.06 -0.05 3.13 0.00 -0.03 -5.01 121.76 120.63 3dob s ALA 425 Ca -0.07 -0.50 -0.10 0.00 0.00 0.00 0.00 51.96 51.29 3dob s ALA 425 Cb -0.08 0.20 0.02 0.00 0.00 0.00 0.00 23.12 23.26 3dob s ALA 425 CO -0.05 -0.27 0.24 0.00 0.00 0.00 0.00 175.76 175.68 3dob s LYS 427 N -0.64 0.65 -0.26 0.00 1.02 -0.90 -4.99 119.74 114.63 3dob s LYS 427 Ca -0.07 -1.25 -0.11 0.00 0.02 0.00 0.00 55.97 54.56 3dob s LYS 427 Cb -0.04 0.20 -0.05 0.00 -0.52 0.00 0.00 37.83 37.42 3dob s LYS 427 CO 0.02 -0.12 0.17 0.99 -0.92 0.00 0.00 175.35 175.49 3dob s THR 428 N -3.93 5.34 0.54 2.17 2.01 -1.26 -0.98 115.64 119.53 3dob s THR 428 Ca 0.09 0.18 0.06 0.00 0.31 0.00 0.00 61.69 62.33 3dob s THR 428 Cb 0.08 -3.51 0.04 0.00 0.01 0.00 0.00 72.50 69.11 3dob s THR 428 CO -0.08 0.30 0.43 -0.36 -0.69 0.00 0.00 174.62 174.21 3dob s PHE 429 N 1.39 1.63 0.27 4.92 0.08 0.14 -4.90 117.98 121.51 3dob s PHE 429 Ca 0.07 -0.83 -0.10 0.00 0.12 0.00 0.00 56.93 56.20 3dob s PHE 429 Cb -0.15 -1.94 0.04 0.00 -0.57 0.00 0.00 43.02 40.40 3dob s PHE 429 CO 0.08 -0.51 0.53 -2.37 -0.10 0.00 0.00 175.22 172.85 3dob n THR 430 N -1.79 0.00 -3.00 0.64 5.66 -0.44 -0.98 114.28 114.36 3dob n THR 430 Ca -0.00 -0.71 -0.34 0.00 -3.05 0.00 0.00 64.05 59.95 3dob n THR 430 Cb 0.64 0.68 -0.06 0.00 -1.55 0.00 0.00 70.33 70.04 3dob n THR 430 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3dob s THR 431 N -2.40 4.51 -0.02 1.09 -4.23 -1.26 -0.04 115.64 113.29 3dob s THR 431 Ca 0.11 1.30 0.12 0.00 -1.18 0.00 0.00 61.69 62.04 3dob s THR 431 Cb -0.03 -3.75 -0.13 0.00 1.34 0.00 0.00 72.50 69.93 3dob s THR 431 CO 0.08 -0.04 1.13 0.22 -0.54 0.00 0.00 174.62 175.47 3dob h TYR 432 N 2.69 0.00 -3.98 3.99 3.20 -1.78 -2.52 116.97 118.57 3dob h TYR 432 Ca -0.48 0.00 -0.36 0.00 3.14 0.00 0.00 58.73 61.03 3dob h TYR 432 Cb 1.18 0.00 -0.23 0.00 1.54 0.00 0.00 36.73 39.22 3dob h TYR 432 CO 0.62 0.80 -0.76 0.00 -1.64 0.00 0.00 178.16 177.18 3dob s ALA 433 N -2.79 0.86 0.23 1.82 0.00 -1.26 -4.86 121.76 115.77 3dob s ALA 433 Ca 0.00 -0.76 -0.31 0.00 0.00 0.00 0.00 51.96 50.89 3dob s ALA 433 Cb 0.09 -0.08 -0.15 0.00 0.00 0.00 0.00 23.12 22.99 3dob s ALA 433 CO 0.80 0.11 1.17 -0.25 0.00 0.00 0.00 175.76 177.59 3dob n ASP 434 N 1.76 1.68 -0.42 0.00 8.00 -1.26 -2.35 116.55 123.95 3dob n ASP 434 Ca -0.20 1.16 -0.06 0.00 0.71 0.00 0.00 54.79 56.40 3dob n ASP 434 Cb 0.55 -1.29 -0.02 0.00 -0.02 0.00 0.00 41.12 40.33 3dob n ASP 434 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3dob n ASN 435 N 1.76 -5.80 -4.68 -2.24 3.02 0.20 -4.86 115.26 102.66 3dob n ASN 435 Ca 0.12 0.14 -0.48 0.00 -0.03 0.00 0.00 54.58 54.33 3dob n ASN 435 Cb 0.29 -3.79 -0.05 0.00 -0.61 0.00 0.00 39.78 35.62 3dob n ASN 435 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 3dob n GLN 436 N 0.01 2.08 0.23 3.52 7.27 -0.99 -4.73 117.38 124.76 3dob n GLN 436 Ca -0.06 0.76 0.12 0.00 0.07 0.00 0.00 57.00 57.89 3dob n GLN 436 Cb 0.54 -2.56 0.35 0.00 2.41 0.00 0.00 30.24 30.97 3dob n GLN 436 CO 0.00 0.00 0.00 -1.00 0.07 0.00 0.00 177.06 176.13 3dob h PRO 437 N 7.81 0.00 -2.93 3.69 0.13 -1.92 -3.43 132.00 135.35 3dob h PRO 437 Ca -0.47 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.70 3dob h PRO 437 Cb 1.27 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.31 3dob h PRO 437 CO 0.92 0.09 0.25 0.20 -0.23 0.00 0.00 178.00 179.23 3dob s GLY 438 N -4.24 -0.34 0.11 1.56 0.00 -1.26 -0.27 107.32 102.88 3dob s GLY 438 Ca 0.04 0.12 0.07 0.00 0.00 0.00 0.00 44.72 44.95 3dob s GLY 438 CO 0.64 0.04 -0.17 -1.34 0.00 0.00 0.00 173.10 172.27 3dob s VAL 439 N -3.77 1.48 -0.19 1.40 -7.23 0.57 -4.93 120.40 107.71 3dob s VAL 439 Ca 0.07 -1.62 -0.06 0.00 -1.81 0.00 0.00 61.98 58.56 3dob s VAL 439 Cb -0.03 -1.50 -0.03 0.00 0.56 0.00 0.00 36.38 35.38 3dob s VAL 439 CO -0.03 -0.26 0.03 -0.44 -0.31 0.00 0.00 175.10 174.09 3dob s SER 440 N -2.19 5.17 -0.51 4.85 0.01 -1.25 -0.95 113.70 118.82 3dob s SER 440 Ca 0.07 -0.09 -0.18 0.00 1.31 0.00 0.00 55.95 57.07 3dob s SER 440 Cb -0.08 -1.89 0.07 0.00 0.21 0.00 0.00 66.02 64.34 3dob s SER 440 CO 0.04 0.11 0.55 -0.63 0.41 0.00 0.00 173.24 173.72 3dob s ILE 441 N 0.77 5.01 -0.34 1.44 -1.09 0.75 -4.80 121.20 122.93 3dob s ILE 441 Ca 0.02 -0.82 -0.08 0.00 -2.23 0.00 0.00 60.65 57.53 3dob s ILE 441 Cb -0.14 -4.27 0.03 0.00 -1.58 0.00 0.00 42.46 36.50 3dob s ILE 441 CO 0.02 -0.78 0.14 -1.10 -1.23 0.00 0.00 174.94 171.98 3dob s GLN 442 N 2.24 2.76 -0.21 2.79 -0.21 -1.26 -1.79 119.66 123.98 3dob s GLN 442 Ca 0.10 -1.10 -0.18 0.00 0.02 0.00 0.00 55.36 54.20 3dob s GLN 442 Cb -0.22 -3.54 -0.03 0.00 1.00 0.00 0.00 33.01 30.22 3dob s GLN 442 CO 0.09 -0.64 0.49 0.08 -2.12 0.00 0.00 175.29 173.18 3dob s VAL 443 N 1.47 5.12 0.18 1.09 1.01 0.79 -1.48 120.40 128.57 3dob s VAL 443 Ca 0.00 0.88 0.09 0.00 0.00 0.00 0.00 61.98 62.96 3dob s VAL 443 Cb -0.19 -3.81 -0.04 0.00 0.00 0.00 0.00 36.38 32.34 3dob s VAL 443 CO 0.04 0.18 -0.19 -0.31 0.00 0.00 0.00 175.10 174.82 3dob s TYR 444 N 1.65 1.94 -0.07 5.22 2.02 0.61 0.55 117.35 129.28 3dob s TYR 444 Ca 0.22 -0.44 0.04 0.00 -0.37 0.00 0.00 57.07 56.53 3dob s TYR 444 Cb -0.15 -0.96 -0.00 0.00 -0.40 0.00 0.00 41.96 40.45 3dob s TYR 444 CO 0.09 0.38 -0.20 -2.00 -1.57 0.00 0.00 175.55 172.26 3dob s GLU 445 N -2.81 2.29 0.00 -0.62 2.12 0.10 -0.75 118.70 119.03 3dob s GLU 445 Ca 0.17 -0.72 0.00 0.00 0.36 0.00 0.00 54.97 54.79 3dob s GLU 445 Cb -0.06 -1.87 0.00 0.00 0.26 0.00 0.00 34.13 32.46 3dob s GLU 445 CO 0.08 0.22 0.00 0.41 -0.54 0.00 0.00 175.26 175.43 3dob n GLY 446 N 3.31 2.38 0.40 -1.50 0.00 0.41 -0.79 105.19 109.40 3dob n GLY 446 Ca -0.19 -1.85 0.09 0.00 0.00 0.00 0.00 46.02 44.07 3dob n GLY 446 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3dob n GLU 447 N -1.89 1.46 -2.55 1.61 -0.58 -1.26 -4.27 120.64 113.17 3dob n GLU 447 Ca 0.00 -0.85 -0.30 0.00 -0.42 0.00 0.00 57.16 55.59 3dob n GLU 447 Cb 0.00 -1.36 -0.02 0.00 -0.57 0.00 0.00 31.44 29.49 3dob n GLU 447 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 3dob s ARG 448 N -2.17 3.72 0.27 3.49 1.81 -1.26 -4.96 118.95 119.85 3dob s ARG 448 Ca 0.15 0.54 0.07 0.00 -1.72 0.00 0.00 55.73 54.77 3dob s ARG 448 Cb 0.15 -2.29 0.36 0.00 -0.45 0.00 0.00 34.95 32.73 3dob s ARG 448 CO 0.49 -0.21 1.63 0.00 -0.68 0.00 0.00 175.30 176.53 3dob h ALA 449 N 0.67 0.99 -3.84 2.13 0.00 -1.92 -3.43 119.26 113.86 3dob h ALA 449 Ca -0.46 -0.50 -0.69 0.00 0.00 0.00 0.00 54.91 53.26 3dob h ALA 449 Cb 1.19 -0.09 -0.22 0.00 0.00 0.00 0.00 17.79 18.68 3dob h ALA 449 CO 0.63 0.68 -0.74 -1.64 0.00 0.00 0.00 179.25 178.18 3dob s MET 450 N -3.85 2.67 0.51 0.00 -1.94 -1.26 -0.91 119.30 114.53 3dob s MET 450 Ca -0.03 -0.64 0.26 0.00 -1.71 0.00 0.00 55.69 53.57 3dob s MET 450 Cb 0.13 -2.48 1.40 0.00 2.01 0.00 0.00 34.83 35.88 3dob s MET 450 CO 0.78 0.61 2.07 1.79 -0.01 0.00 0.00 175.02 180.25 3dob h THR 451 N 4.39 0.64 0.00 2.05 1.35 -1.45 -2.01 112.91 117.88 3dob h THR 451 Ca -0.46 -0.53 0.00 0.00 -0.55 0.00 0.00 66.41 64.87 3dob h THR 451 Cb 1.16 1.34 0.00 0.00 -1.73 0.00 0.00 68.15 68.92 3dob h THR 451 CO 0.52 0.12 0.00 0.08 -0.25 0.00 0.00 175.52 175.99 3dob h ARG 452 N 0.00 0.00 -0.12 4.72 0.11 -1.96 -0.73 114.38 116.40 3dob h ARG 452 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3dob h ARG 452 Cb 0.33 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.41 3dob h ARG 452 CO 0.02 0.00 0.00 -0.25 0.10 0.00 0.00 179.97 179.84 3dob n ASP 453 N -3.05 2.96 -2.49 0.08 8.00 -0.76 -4.97 116.55 116.32 3dob n ASP 453 Ca -0.01 -1.95 -0.05 0.00 0.71 0.00 0.00 54.79 53.48 3dob n ASP 453 Cb 0.17 -0.06 -0.00 0.00 -0.02 0.00 0.00 41.12 41.20 3dob n ASP 453 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3dob n ASN 454 N 1.27 1.52 -4.23 -2.24 3.02 -0.28 -4.75 115.26 109.56 3dob n ASN 454 Ca 0.16 -1.35 -0.34 0.00 -0.03 0.00 0.00 54.58 53.02 3dob n ASN 454 Cb 0.58 0.01 -0.15 0.00 -0.61 0.00 0.00 39.78 39.61 3dob n ASN 454 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 3dob s HIS 455 N -0.66 2.89 0.03 3.10 5.65 0.03 -4.94 115.29 121.39 3dob s HIS 455 Ca 0.04 -1.22 -0.30 0.00 0.25 0.00 0.00 55.06 53.83 3dob s HIS 455 Cb -0.00 -2.03 -0.06 0.00 -1.18 0.00 0.00 32.58 29.30 3dob s HIS 455 CO 0.03 -0.65 1.41 0.50 -0.65 0.00 0.00 174.74 175.38 3dob s ARG 456 N 1.40 4.29 -0.13 2.88 3.52 -1.26 -0.72 118.95 128.93 3dob s ARG 456 Ca 0.05 2.01 0.05 0.00 -0.13 0.00 0.00 55.73 57.71 3dob s ARG 456 Cb -0.14 -3.49 -0.23 0.00 -1.56 0.00 0.00 34.95 29.53 3dob s ARG 456 CO -0.07 -0.54 0.31 1.28 -0.81 0.00 0.00 175.30 175.47 3dob n LEU 457 N 5.00 1.74 0.00 -0.88 4.77 0.19 -4.95 117.00 122.88 3dob n LEU 457 Ca 0.13 0.18 0.00 0.00 -0.03 0.00 0.00 56.01 56.29 3dob n LEU 457 Cb 0.43 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3dob n LEU 457 CO 0.59 0.67 0.00 0.61 -1.33 0.00 0.00 177.39 177.93 3dob n GLY 458 N 1.86 0.54 2.98 -0.72 0.00 -1.19 -5.01 105.19 103.66 3dob n GLY 458 Ca -0.30 -0.83 -0.11 0.00 0.00 0.00 0.00 46.02 44.78 3dob n GLY 458 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dob s THR 459 N -2.00 0.03 0.19 2.61 2.01 -1.26 -0.15 115.64 117.08 3dob s THR 459 Ca 0.00 -0.27 -0.06 0.00 0.31 0.00 0.00 61.69 61.66 3dob s THR 459 Cb 0.00 -0.20 -0.02 0.00 0.01 0.00 0.00 72.50 72.29 3dob s THR 459 CO 0.00 -0.15 0.26 0.72 -0.69 0.00 0.00 174.62 174.76 3dob s PHE 460 N -0.45 0.69 0.03 4.92 -0.12 -0.74 -4.99 117.98 117.31 3dob s PHE 460 Ca -0.05 -1.01 0.05 0.00 -0.05 0.00 0.00 56.93 55.87 3dob s PHE 460 Cb -0.03 -0.21 -0.03 0.00 -0.63 0.00 0.00 43.02 42.12 3dob s PHE 460 CO 0.00 -0.74 -0.12 -1.21 -0.05 0.00 0.00 175.22 173.10 3dob s GLU 461 N -4.05 2.32 -0.28 1.99 0.41 -1.26 -0.17 118.70 117.65 3dob s GLU 461 Ca 0.26 -0.86 0.02 0.00 -0.41 0.00 0.00 54.97 53.99 3dob s GLU 461 Cb 0.04 -2.35 0.08 0.00 -1.78 0.00 0.00 34.13 30.11 3dob s GLU 461 CO 0.06 0.57 -0.03 -1.17 -0.49 0.00 0.00 175.26 174.20 3dob s LEU 462 N -1.48 3.54 0.34 1.80 2.96 -0.12 -4.81 118.68 120.91 3dob s LEU 462 Ca 0.16 -1.60 0.07 0.00 -0.22 0.00 0.00 54.13 52.54 3dob s LEU 462 Cb -0.11 -1.43 -0.02 0.00 0.50 0.00 0.00 46.19 45.14 3dob s LEU 462 CO 0.07 -0.28 0.37 -0.44 -1.32 0.00 0.00 176.35 174.75 3dob s SER 463 N 1.15 5.57 0.00 3.68 0.01 -1.26 -0.32 113.70 122.53 3dob s SER 463 Ca -0.00 -0.38 0.00 0.00 1.31 0.00 0.00 55.95 56.88 3dob s SER 463 Cb -0.19 -1.05 0.00 0.00 0.21 0.00 0.00 66.02 64.98 3dob s SER 463 CO -0.08 -0.41 0.00 0.61 0.41 0.00 0.00 173.24 173.78 3dob n GLY 464 N -1.50 0.73 3.67 3.44 0.00 0.63 -4.92 105.19 107.24 3dob n GLY 464 Ca -0.01 -0.69 -0.43 0.00 0.00 0.00 0.00 46.02 44.89 3dob n GLY 464 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dob s ILE 465 N -2.00 4.22 0.64 -0.61 1.01 0.45 -5.00 121.20 119.90 3dob s ILE 465 Ca 0.00 1.51 -0.18 0.00 0.00 0.00 0.00 60.65 61.98 3dob s ILE 465 Cb 0.00 -3.97 -0.01 0.00 0.01 0.00 0.00 42.46 38.49 3dob s ILE 465 CO 0.00 -0.08 1.27 -2.84 0.00 0.00 0.00 174.94 173.29 3dob s PRO 466 N 3.00 2.61 0.21 2.79 0.02 -1.26 -4.49 135.00 137.87 3dob s PRO 466 Ca 0.56 1.98 -0.32 0.00 0.02 0.00 0.00 61.00 63.25 3dob s PRO 466 Cb -0.24 -1.86 -0.12 0.00 0.02 0.00 0.00 34.50 32.30 3dob s PRO 466 CO 0.18 -1.53 1.70 -1.25 -0.33 0.00 0.00 177.00 175.77 3dob s PRO 467 N -3.41 4.13 0.19 5.54 0.04 -1.26 -4.87 135.00 135.35 3dob s PRO 467 Ca 0.81 2.58 -0.17 0.00 0.04 0.00 0.00 61.00 64.26 3dob s PRO 467 Cb -0.35 -3.08 0.03 0.00 0.04 0.00 0.00 34.50 31.14 3dob s PRO 467 CO 0.39 -0.73 0.51 0.00 0.04 0.00 0.00 177.00 177.21 3dob s ALA 468 N 1.06 -0.90 0.71 8.56 0.00 -1.26 -4.92 121.76 125.02 3dob s ALA 468 Ca 0.73 -0.24 -0.15 0.00 0.00 0.00 0.00 51.96 52.30 3dob s ALA 468 Cb -0.49 0.85 0.03 0.00 0.00 0.00 0.00 23.12 23.50 3dob s ALA 468 CO 0.33 -0.79 1.18 -2.14 0.00 0.00 0.00 175.76 174.34 3dob s PRO 469 N -3.87 2.35 0.28 0.00 0.02 -1.26 0.60 135.00 133.11 3dob s PRO 469 Ca 0.09 1.65 -0.29 0.00 0.02 0.00 0.00 61.00 62.47 3dob s PRO 469 Cb -0.01 -1.87 -0.13 0.00 0.02 0.00 0.00 34.50 32.51 3dob s PRO 469 CO -0.03 -1.65 1.26 2.89 -0.33 0.00 0.00 177.00 179.14 3dob n ARG 470 N -2.60 1.85 -0.72 5.54 1.85 -1.26 -2.30 116.66 119.02 3dob n ARG 470 Ca 0.13 0.65 0.00 0.00 -1.00 0.00 0.00 57.85 57.63 3dob n ARG 470 Cb 0.51 -2.21 0.00 0.00 -1.05 0.00 0.00 32.46 29.71 3dob n ARG 470 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3dob n GLY 471 N 1.44 0.87 0.13 2.89 0.00 -0.95 -4.93 105.19 104.65 3dob n GLY 471 Ca 0.09 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.90 3dob n GLY 471 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3dob n VAL 472 N -2.00 1.71 -1.71 1.61 0.31 -0.97 -4.83 118.33 112.45 3dob n VAL 472 Ca 0.00 -0.57 -0.40 0.00 -0.01 0.00 0.00 64.34 63.36 3dob n VAL 472 Cb 0.00 -1.73 0.02 0.00 -0.91 0.00 0.00 33.84 31.22 3dob n VAL 472 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 3dob n PRO 473 N -3.58 1.85 -3.81 5.55 -0.02 -1.26 -4.99 135.00 128.72 3dob n PRO 473 Ca -0.34 0.66 -0.37 0.00 -2.02 0.00 0.00 63.50 61.43 3dob n PRO 473 Cb 0.99 -2.42 -0.13 0.00 -0.02 0.00 0.00 33.50 31.93 3dob n PRO 473 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3dob s GLN 474 N -2.37 2.65 -0.31 -0.52 -0.21 -1.26 -4.36 119.66 113.28 3dob s GLN 474 Ca 0.64 -1.14 0.02 0.00 0.02 0.00 0.00 55.36 54.90 3dob s GLN 474 Cb -0.48 -3.33 0.08 0.00 1.00 0.00 0.00 33.01 30.28 3dob s GLN 474 CO 0.56 -0.60 -0.01 0.42 -2.12 0.00 0.00 175.29 173.54 3dob s ILE 475 N 1.37 2.39 -0.14 1.08 1.01 -0.15 -0.41 121.20 126.35 3dob s ILE 475 Ca -0.02 -1.93 -0.27 0.00 0.00 0.00 0.00 60.65 58.43 3dob s ILE 475 Cb -0.19 -2.57 -0.01 0.00 0.01 0.00 0.00 42.46 39.70 3dob s ILE 475 CO 0.01 -0.32 0.91 -1.61 0.00 0.00 0.00 174.94 173.94 3dob s GLU 476 N 1.04 4.36 -0.19 2.79 2.02 -0.65 0.28 118.70 128.34 3dob s GLU 476 Ca 0.01 1.20 -0.02 0.00 0.02 0.00 0.00 54.97 56.18 3dob s GLU 476 Cb -0.20 -3.55 -0.00 0.00 0.10 0.00 0.00 34.13 30.47 3dob s GLU 476 CO -0.06 -0.31 -0.10 0.08 0.02 0.00 0.00 175.26 174.89 3dob s VAL 477 N 2.05 3.00 -0.14 2.63 1.01 -0.15 -1.04 120.40 127.76 3dob s VAL 477 Ca 0.43 -0.63 -0.01 0.00 0.00 0.00 0.00 61.98 61.77 3dob s VAL 477 Cb -0.17 -2.32 -0.02 0.00 0.00 0.00 0.00 36.38 33.87 3dob s VAL 477 CO 0.15 0.47 -0.11 -0.89 0.00 0.00 0.00 175.10 174.72 3dob s THR 478 N 1.18 3.19 -0.24 3.92 2.01 0.15 -2.12 115.64 123.73 3dob s THR 478 Ca 0.02 -0.61 -0.10 0.00 0.31 0.00 0.00 61.69 61.31 3dob s THR 478 Cb -0.14 -2.36 -0.05 0.00 0.01 0.00 0.00 72.50 69.96 3dob s THR 478 CO -0.03 0.51 0.15 -0.36 -0.69 0.00 0.00 174.62 174.19 3dob s PHE 479 N 0.42 3.26 -0.15 4.92 0.40 0.47 -1.08 117.98 126.23 3dob s PHE 479 Ca -0.09 0.12 0.00 0.00 -0.60 0.00 0.00 56.93 56.36 3dob s PHE 479 Cb -0.16 -2.27 0.03 0.00 0.51 0.00 0.00 43.02 41.14 3dob s PHE 479 CO 0.05 -0.01 -0.11 1.21 0.70 0.00 0.00 175.22 177.05 3dob s ASN 480 N 1.18 2.63 -0.18 1.36 2.47 0.09 -0.85 114.94 121.65 3dob s ASN 480 Ca 0.07 -0.50 -0.04 0.00 0.42 0.00 0.00 52.86 52.81 3dob s ASN 480 Cb -0.14 -1.06 -0.02 0.00 -1.45 0.00 0.00 41.25 38.58 3dob s ASN 480 CO 0.05 -0.10 -0.03 -0.63 -3.72 0.00 0.00 177.10 172.67 3dob s ILE 481 N 1.56 3.73 0.76 -5.21 1.01 0.11 -0.35 121.20 122.81 3dob s ILE 481 Ca 0.04 -0.40 -0.02 0.00 0.00 0.00 0.00 60.65 60.27 3dob s ILE 481 Cb -0.13 -2.66 0.15 0.00 0.01 0.00 0.00 42.46 39.83 3dob s ILE 481 CO -0.09 0.46 1.05 1.51 0.00 0.00 0.00 174.94 177.86 3dob s ASP 482 N 0.79 4.10 0.55 3.58 1.47 -0.51 -1.53 116.67 125.12 3dob s ASP 482 Ca -0.01 -0.40 0.37 0.00 1.18 0.00 0.00 52.55 53.68 3dob s ASP 482 Cb -0.14 0.13 1.93 0.00 -0.34 0.00 0.00 42.92 44.50 3dob s ASP 482 CO 0.02 -2.04 2.12 0.00 0.68 0.00 0.00 175.17 175.94 3dob h ALA 483 N -0.69 1.00 -0.01 2.11 0.00 -1.90 -0.44 119.26 119.32 3dob h ALA 483 Ca -0.36 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3dob h ALA 483 Cb 1.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3dob h ALA 483 CO 0.37 0.00 -0.03 0.09 0.00 0.00 0.00 179.25 179.68 3dob n ASN 484 N -2.83 1.41 0.00 0.00 3.02 -1.26 -4.90 115.26 110.71 3dob n ASN 484 Ca -0.02 -1.41 0.00 0.00 -0.03 0.00 0.00 54.58 53.12 3dob n ASN 484 Cb 0.09 0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.28 3dob n ASN 484 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dob n GLY 485 N 1.19 0.53 3.70 7.41 0.00 -0.17 -4.82 105.19 113.03 3dob n GLY 485 Ca 0.18 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 3dob n GLY 485 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dob s ILE 486 N -2.00 4.85 -0.27 -0.61 1.01 -1.26 -4.13 121.20 118.79 3dob s ILE 486 Ca 0.00 2.01 -0.10 0.00 0.00 0.00 0.00 60.65 62.56 3dob s ILE 486 Cb 0.00 -4.30 -0.05 0.00 0.01 0.00 0.00 42.46 38.12 3dob s ILE 486 CO 0.00 0.10 0.17 -0.22 0.00 0.00 0.00 174.94 174.99 3dob s LEU 487 N 1.40 3.93 -0.18 2.97 2.96 -0.86 -1.42 118.68 127.48 3dob s LEU 487 Ca 0.50 -0.03 -0.07 0.00 -0.22 0.00 0.00 54.13 54.31 3dob s LEU 487 Cb -0.20 -2.08 -0.04 0.00 0.50 0.00 0.00 46.19 44.37 3dob s LEU 487 CO 0.23 -0.03 0.05 0.20 -1.32 0.00 0.00 176.35 175.49 3dob s ASN 488 N 1.63 5.52 -0.20 3.68 0.01 0.52 0.54 114.94 126.65 3dob s ASN 488 Ca 0.07 0.05 -0.02 0.00 -0.71 0.00 0.00 52.86 52.24 3dob s ASN 488 Cb -0.15 -1.94 -0.00 0.00 0.41 0.00 0.00 41.25 39.56 3dob s ASN 488 CO 0.09 0.17 -0.09 -0.69 -1.51 0.00 0.00 177.10 175.07 3dob s VAL 489 N 0.41 3.07 0.04 1.60 1.01 -0.31 -0.73 120.40 125.49 3dob s VAL 489 Ca 0.02 -0.60 0.08 0.00 0.00 0.00 0.00 61.98 61.48 3dob s VAL 489 Cb -0.13 -2.37 -0.03 0.00 0.00 0.00 0.00 36.38 33.86 3dob s VAL 489 CO 0.01 0.46 -0.22 -0.44 0.00 0.00 0.00 175.10 174.90 3dob s SER 490 N 1.30 3.47 -0.04 3.32 0.01 -0.24 -0.72 113.70 120.80 3dob s SER 490 Ca 0.04 -0.50 0.04 0.00 1.31 0.00 0.00 55.95 56.83 3dob s SER 490 Cb -0.14 -0.45 -0.00 0.00 0.21 0.00 0.00 66.02 65.64 3dob s SER 490 CO -0.04 0.26 -0.14 0.00 0.41 0.00 0.00 173.24 173.73 3dob s ALA 491 N -0.85 1.28 -0.01 1.44 0.00 0.07 -0.67 121.76 123.01 3dob s ALA 491 Ca 0.13 -0.56 0.01 0.00 0.00 0.00 0.00 51.96 51.54 3dob s ALA 491 Cb -0.10 -0.44 0.00 0.00 0.00 0.00 0.00 23.12 22.59 3dob s ALA 491 CO 0.03 0.23 -0.02 -1.83 0.00 0.00 0.00 175.76 174.17 3dob s GLU 492 N 0.09 0.26 -0.33 0.00 -1.05 -0.20 -1.46 118.70 116.01 3dob s GLU 492 Ca -0.03 -0.07 -0.28 0.00 -0.15 0.00 0.00 54.97 54.44 3dob s GLU 492 Cb -0.10 -0.29 0.02 0.00 -0.44 0.00 0.00 34.13 33.31 3dob s GLU 492 CO 0.01 0.02 1.04 0.34 0.95 0.00 0.00 175.26 177.62 3dob s ASP 493 N 0.18 6.87 0.52 0.83 2.15 0.87 -1.64 116.67 126.44 3dob s ASP 493 Ca -0.02 0.95 0.20 0.00 0.43 0.00 0.00 52.55 54.11 3dob s ASP 493 Cb -0.04 -2.52 1.30 0.00 -0.30 0.00 0.00 42.92 41.36 3dob s ASP 493 CO -0.00 -0.87 2.06 0.11 -0.17 0.00 0.00 175.17 176.29 3dob h LYS 494 N 8.18 0.05 0.07 4.34 1.57 -1.06 0.17 116.57 129.89 3dob h LYS 494 Ca -0.21 -0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.22 3dob h LYS 494 Cb 1.06 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.33 3dob h LYS 494 CO 1.02 0.03 -1.97 -1.13 -0.57 0.00 0.00 179.45 176.83 3dob n SER 495 N -4.45 1.64 0.07 0.86 3.41 -1.26 -4.25 113.62 109.64 3dob n SER 495 Ca 0.05 0.23 0.11 0.00 -0.26 0.00 0.00 58.87 59.00 3dob n SER 495 Cb 0.37 -0.50 0.02 0.00 -0.26 0.00 0.00 64.21 63.84 3dob n SER 495 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3dob n THR 496 N -3.30 0.44 -0.88 6.66 -2.24 -1.20 -4.96 114.28 108.80 3dob n THR 496 Ca -0.29 -0.44 0.00 0.00 -2.27 0.00 0.00 64.05 61.05 3dob n THR 496 Cb 1.05 -0.17 0.00 0.00 -2.10 0.00 0.00 70.33 69.11 3dob n THR 496 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dob n GLY 497 N 1.25 0.35 3.75 3.38 0.00 0.57 -4.99 105.19 109.50 3dob n GLY 497 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3dob n GLY 497 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dob s LYS 498 N -0.80 4.23 0.04 1.61 1.02 -1.24 -4.70 119.74 119.89 3dob s LYS 498 Ca 0.00 2.38 0.02 0.00 0.02 0.00 0.00 55.97 58.39 3dob s LYS 498 Cb 0.00 -3.08 -0.02 0.00 -0.52 0.00 0.00 37.83 34.21 3dob s LYS 498 CO 0.00 -0.46 -0.07 -1.12 -0.92 0.00 0.00 175.35 172.78 3dob s SER 499 N 0.32 0.74 0.15 2.83 0.01 -1.26 -0.09 113.70 116.41 3dob s SER 499 Ca 0.59 -0.53 -0.18 0.00 1.31 0.00 0.00 55.95 57.14 3dob s SER 499 Cb -0.43 0.04 0.04 0.00 0.21 0.00 0.00 66.02 65.88 3dob s SER 499 CO 0.46 -0.21 0.49 0.21 0.41 0.00 0.00 173.24 174.60 3dob s ASN 500 N -1.51 -0.33 0.02 2.44 2.47 -0.53 -5.01 114.94 112.48 3dob s ASN 500 Ca -0.11 -0.28 -0.15 0.00 0.42 0.00 0.00 52.86 52.74 3dob s ASN 500 Cb -0.10 0.54 0.02 0.00 -1.45 0.00 0.00 41.25 40.27 3dob s ASN 500 CO 0.00 -0.94 0.33 -0.60 -3.72 0.00 0.00 177.10 172.17 3dob s ARG 501 N -3.81 0.77 0.02 0.43 3.52 -1.26 -0.75 118.95 117.86 3dob s ARG 501 Ca 0.04 -0.33 0.01 0.00 -0.13 0.00 0.00 55.73 55.32 3dob s ARG 501 Cb 0.00 0.34 -0.01 0.00 -1.56 0.00 0.00 34.95 33.72 3dob s ARG 501 CO -0.10 -0.23 -0.04 -1.50 -0.81 0.00 0.00 175.30 172.62 3dob s ILE 502 N -1.96 0.21 -0.23 4.11 2.07 0.10 -4.99 121.20 120.51 3dob s ILE 502 Ca -0.09 -0.65 -0.07 0.00 -1.41 0.00 0.00 60.65 58.44 3dob s ILE 502 Cb -0.03 -0.28 -0.03 0.00 0.13 0.00 0.00 42.46 42.25 3dob s ILE 502 CO 0.01 -0.28 0.04 -0.89 -1.91 0.00 0.00 174.94 171.91 3dob s THR 503 N -0.94 4.21 -0.18 4.00 2.01 -1.26 -1.16 115.64 122.31 3dob s THR 503 Ca -0.09 -0.21 -0.06 0.00 0.31 0.00 0.00 61.69 61.64 3dob s THR 503 Cb -0.07 -2.94 -0.03 0.00 0.01 0.00 0.00 72.50 69.47 3dob s THR 503 CO -0.00 0.38 0.03 -0.63 -0.69 0.00 0.00 174.62 173.70 3dob s ILE 504 N 1.33 4.39 0.35 1.82 1.01 0.19 -5.00 121.20 125.28 3dob s ILE 504 Ca 0.05 -0.17 -0.27 0.00 0.00 0.00 0.00 60.65 60.25 3dob s ILE 504 Cb -0.15 -2.97 -0.09 0.00 0.01 0.00 0.00 42.46 39.26 3dob s ILE 504 CO 0.03 0.45 1.14 -1.10 0.00 0.00 0.00 174.94 175.46 3dob s GLN 505 N 0.57 4.33 0.15 2.79 -1.52 -1.26 -2.02 119.66 122.69 3dob s GLN 505 Ca 0.01 1.82 -0.21 0.00 -1.95 0.00 0.00 55.36 55.03 3dob s GLN 505 Cb -0.13 -2.89 0.04 0.00 -0.22 0.00 0.00 33.01 29.80 3dob s GLN 505 CO 0.02 -0.08 1.64 -0.97 -0.25 0.00 0.00 175.29 175.65 3dob h ASN 506 N 3.14 -0.70 0.00 5.90 -1.24 -1.88 -3.46 115.58 117.34 3dob h ASN 506 Ca -0.48 0.14 0.00 0.00 0.71 0.00 0.00 56.30 56.67 3dob h ASN 506 Cb 1.22 0.34 0.00 0.00 0.73 0.00 0.00 38.32 40.61 3dob h ASN 506 CO 0.64 -0.25 0.00 -0.62 -1.29 0.00 0.00 177.43 175.91 3dob n GLU 507 N -5.36 0.00 -4.14 6.67 1.02 -1.26 -5.05 120.64 112.51 3dob n GLU 507 Ca -0.00 0.00 -0.25 0.00 -0.02 0.00 0.00 57.16 56.89 3dob n GLU 507 Cb 0.28 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.64 3dob n GLU 507 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3dob s THR 512 N 0.00 4.19 0.21 2.62 2.01 -1.26 -5.27 115.64 118.15 3dob s THR 512 Ca 0.00 -1.35 -0.06 0.00 0.31 0.00 0.00 61.69 60.59 3dob s THR 512 Cb 0.00 -3.18 0.07 0.00 0.01 0.00 0.00 72.50 69.40 3dob s THR 512 CO 0.00 -0.22 1.67 -0.61 -0.69 0.00 0.00 174.62 174.78 3dob h GLN 513 N 2.12 0.92 -0.74 4.92 -0.00 -2.06 -2.80 115.11 117.48 3dob h GLN 513 Ca -0.47 -0.30 -0.05 0.00 -0.00 0.00 0.00 58.65 57.83 3dob h GLN 513 Cb 1.22 -0.08 -0.03 0.00 0.00 0.00 0.00 27.48 28.59 3dob h GLN 513 CO 0.61 0.95 0.26 1.03 0.00 0.00 0.00 178.83 181.68 3dob h SER 514 N 0.84 1.05 1.76 -0.69 0.87 -2.06 -2.78 113.55 112.54 3dob h SER 514 Ca 0.15 -0.19 -0.03 0.00 -1.23 0.00 0.00 61.79 60.48 3dob h SER 514 Cb 0.57 -0.27 -0.00 0.00 -0.44 0.00 0.00 62.40 62.25 3dob h SER 514 CO 0.03 0.96 -0.24 -2.24 -0.53 0.00 0.00 176.83 174.82 3dob h ASP 515 N 1.08 0.00 -0.38 6.23 2.03 -1.98 -2.74 116.42 120.66 3dob h ASP 515 Ca 0.24 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 56.53 3dob h ASP 515 Cb 0.27 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.75 3dob h ASP 515 CO -0.01 0.14 0.17 0.40 -1.03 0.00 0.00 179.24 178.91 3dob h ILE 516 N 0.00 1.18 -0.88 4.15 2.04 -1.42 -2.39 117.51 120.18 3dob h ILE 516 Ca -0.01 -0.52 0.04 0.00 1.00 0.00 0.00 64.86 65.38 3dob h ILE 516 Cb 1.11 0.82 -0.05 0.00 -0.74 0.00 0.00 36.82 37.96 3dob h ILE 516 CO 0.02 0.19 0.58 0.44 0.00 0.00 0.00 178.15 179.38 3dob h ASP 517 N 0.47 0.94 0.78 1.72 3.32 -1.21 -2.47 116.42 119.97 3dob h ASP 517 Ca 0.13 -0.01 -0.22 0.00 0.02 0.00 0.00 57.03 56.95 3dob h ASP 517 Cb 0.14 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 39.44 3dob h ASP 517 CO -0.01 0.64 -1.33 0.08 -1.72 0.00 0.00 179.24 176.90 3dob h ARG 518 N 1.08 0.00 -0.70 3.56 0.11 -1.51 -2.65 114.38 114.28 3dob h ARG 518 Ca 0.36 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.39 3dob h ARG 518 Cb 0.05 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.10 3dob h ARG 518 CO -0.11 0.59 0.26 0.52 0.10 0.00 0.00 179.97 181.33 3dob h MET 519 N 0.00 1.04 0.00 0.08 2.86 -1.24 1.01 114.93 118.68 3dob h MET 519 Ca -0.16 -0.19 -0.11 0.00 -2.06 0.00 0.00 59.70 57.19 3dob h MET 519 Cb 1.80 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 33.27 3dob h MET 519 CO 0.09 0.86 -0.53 -0.39 1.06 0.00 0.00 176.91 177.99 3dob h VAL 520 N 1.01 1.17 0.01 -2.22 -1.51 -1.51 -2.24 116.25 110.96 3dob h VAL 520 Ca 0.23 -1.96 -0.00 0.00 -1.23 0.00 0.00 66.70 63.74 3dob h VAL 520 Cb 0.22 2.13 0.00 0.00 -2.13 0.00 0.00 31.29 31.50 3dob h VAL 520 CO -0.02 0.52 -0.01 -0.74 -1.23 0.00 0.00 177.57 176.10 3dob h HIS 521 N 0.00 -0.02 -0.84 5.19 6.17 -0.98 -2.66 115.15 122.01 3dob h HIS 521 Ca -0.01 -0.00 0.16 0.00 0.71 0.00 0.00 60.37 61.23 3dob h HIS 521 Cb 1.08 0.00 -0.06 0.00 2.52 0.00 0.00 27.41 30.96 3dob h HIS 521 CO 0.00 0.60 0.55 0.93 0.71 0.00 0.00 177.93 180.72 3dob h GLU 522 N -0.64 0.51 -0.46 5.26 5.08 0.10 -0.01 114.58 124.41 3dob h GLU 522 Ca -0.00 -0.03 -0.11 0.00 -1.00 0.00 0.00 59.36 58.22 3dob h GLU 522 Cb 0.62 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 3dob h GLU 522 CO 0.00 0.34 -0.16 0.00 -1.00 0.00 0.00 179.01 178.19 3dob h ALA 523 N 1.62 0.84 -0.38 3.43 0.00 -1.43 -1.35 119.26 122.00 3dob h ALA 523 Ca 0.42 -0.36 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 3dob h ALA 523 Cb 0.87 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 3dob h ALA 523 CO -0.17 0.64 -0.06 -0.22 0.00 0.00 0.00 179.25 179.45 3dob h LYS 524 N 0.78 0.71 -0.52 0.00 3.11 -0.87 -2.86 116.57 116.92 3dob h LYS 524 Ca 0.12 -0.25 0.10 0.00 -2.81 0.00 0.00 60.65 57.80 3dob h LYS 524 Cb 0.69 -0.05 -0.09 0.00 -1.00 0.00 0.00 32.23 31.79 3dob h LYS 524 CO 0.05 0.84 -0.00 1.96 -2.81 0.00 0.00 179.45 179.49 3dob h GLN 525 N 0.51 0.11 -0.83 1.90 4.20 -0.91 -3.16 115.11 116.93 3dob h GLN 525 Ca 0.10 -0.01 -0.35 0.00 0.06 0.00 0.00 58.65 58.45 3dob h GLN 525 Cb 0.56 -0.02 -0.21 0.00 0.30 0.00 0.00 27.48 28.10 3dob h GLN 525 CO 0.03 0.07 0.43 1.19 -0.67 0.00 0.00 178.83 179.88 3dob n PHE 526 N -5.24 2.66 0.05 2.96 3.72 -0.52 -4.60 117.46 116.48 3dob n PHE 526 Ca 0.06 -1.52 -0.13 0.00 -0.05 0.00 0.00 57.45 55.81 3dob n PHE 526 Cb 0.28 -0.80 -0.02 0.00 -0.94 0.00 0.00 39.48 38.00 3dob n PHE 526 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 3dob h GLU 527 N 1.80 0.46 0.34 -1.08 4.81 -1.47 -0.85 114.58 118.59 3dob h GLU 527 Ca 0.43 -0.44 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 3dob h GLU 527 Cb 2.54 0.11 0.00 0.00 0.63 0.00 0.00 28.75 32.04 3dob h GLU 527 CO 0.89 1.08 -0.16 -0.22 -0.73 0.00 0.00 179.01 179.87 3dob h LYS 528 N 0.29 -0.44 -0.12 1.92 3.64 -1.86 -1.05 116.57 118.95 3dob h LYS 528 Ca -0.06 0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.29 3dob h LYS 528 Cb 1.47 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 33.38 3dob h LYS 528 CO 0.15 -0.16 -0.18 1.05 -2.27 0.00 0.00 179.45 178.05 3dob h GLU 529 N -0.70 0.20 -0.25 1.90 9.09 -1.90 -1.76 114.58 121.15 3dob h GLU 529 Ca -0.05 -0.05 -0.18 0.00 0.05 0.00 0.00 59.36 59.13 3dob h GLU 529 Cb 0.49 -0.02 0.00 0.00 -1.65 0.00 0.00 28.75 27.57 3dob h GLU 529 CO 0.08 0.38 -0.55 -0.44 0.05 0.00 0.00 179.01 178.53 3dob h ASP 530 N 0.19 0.91 -0.62 3.06 3.32 -1.18 -1.90 116.42 120.20 3dob h ASP 530 Ca 0.04 -0.55 0.01 0.00 0.02 0.00 0.00 57.03 56.55 3dob h ASP 530 Cb 0.43 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.68 3dob h ASP 530 CO 0.03 1.30 0.40 1.23 -1.72 0.00 0.00 179.24 180.47 3dob h GLY 531 N 0.56 0.88 1.39 2.75 0.00 -0.81 -2.29 103.07 105.55 3dob h GLY 531 Ca 0.00 -0.31 -0.06 0.00 0.00 0.00 0.00 47.33 46.96 3dob h GLY 531 CO 0.12 0.29 0.06 0.83 0.00 0.00 0.00 176.54 177.84 3dob h GLU 532 N 0.81 0.76 -0.61 4.80 5.08 -1.26 -2.21 114.58 121.95 3dob h GLU 532 Ca 0.24 -0.17 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 3dob h GLU 532 Cb -0.05 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.06 3dob h GLU 532 CO -0.07 0.73 0.30 0.37 -1.00 0.00 0.00 179.01 179.34 3dob h GLN 533 N 0.72 0.85 -0.10 2.33 5.75 -0.87 -2.02 115.11 121.77 3dob h GLN 533 Ca 0.15 -0.10 -0.14 0.00 -0.15 0.00 0.00 58.65 58.41 3dob h GLN 533 Cb 0.35 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 28.73 3dob h GLN 533 CO 0.01 0.65 -0.54 0.00 -2.65 0.00 0.00 178.83 176.30 3dob h ARG 534 N 0.85 0.30 0.00 1.69 3.08 -0.89 -2.87 114.38 116.54 3dob h ARG 534 Ca 0.21 -0.19 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 3dob h ARG 534 Cb 0.07 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.14 3dob h ARG 534 CO -0.03 0.77 -0.00 0.93 -1.07 0.00 0.00 179.97 180.56 3dob h GLU 535 N 0.23 0.00 0.00 0.04 5.08 -0.79 -3.09 114.58 116.05 3dob h GLU 535 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 3dob h GLU 535 Cb 1.03 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.27 3dob h GLU 535 CO 0.09 0.00 -0.11 0.00 -1.00 0.00 0.00 179.01 177.99 3dob h ARG 536 N 0.00 0.00 -4.57 2.33 3.08 -1.27 -3.41 114.38 110.55 3dob h ARG 536 Ca -0.00 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.47 3dob h ARG 536 Cb 0.14 0.00 -0.36 0.00 0.08 0.00 0.00 29.97 29.84 3dob h ARG 536 CO 0.00 0.11 -0.83 0.54 -1.07 0.00 0.00 179.97 178.72 3dob s VAL 537 N -3.58 1.41 -0.12 2.04 0.11 -1.17 -5.02 120.40 114.06 3dob s VAL 537 Ca 0.02 -0.54 0.18 0.00 -2.93 0.00 0.00 61.98 58.70 3dob s VAL 537 Cb 0.09 -1.33 -0.20 0.00 -1.53 0.00 0.00 36.38 33.41 3dob s VAL 537 CO 0.60 0.43 0.59 0.00 -3.33 0.00 0.00 175.10 173.39 3dob n GLN 538 N 4.66 0.64 -1.27 1.54 3.00 -1.26 -4.90 117.38 119.80 3dob n GLN 538 Ca -0.16 0.11 -0.30 0.00 -0.01 0.00 0.00 57.00 56.63 3dob n GLN 538 Cb 0.50 -1.70 0.11 0.00 0.00 0.00 0.00 30.24 29.16 3dob n GLN 538 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3dob s ALA 539 N -2.90 1.92 0.01 -1.58 0.00 -1.26 -5.07 121.76 112.89 3dob s ALA 539 Ca -0.05 0.06 0.02 0.00 0.00 0.00 0.00 51.96 51.99 3dob s ALA 539 Cb 0.09 -3.22 -0.01 0.00 0.00 0.00 0.00 23.12 19.98 3dob s ALA 539 CO 0.83 -2.03 -0.07 1.03 0.00 0.00 0.00 175.76 175.52 3dob s ARG 540 N -4.94 0.51 -0.95 0.00 1.81 -1.26 -4.91 118.95 109.21 3dob s ARG 540 Ca 0.62 -0.39 0.00 0.00 -1.72 0.00 0.00 55.73 54.24 3dob s ARG 540 Cb -0.17 -0.44 0.00 0.00 -0.45 0.00 0.00 34.95 33.89 3dob s ARG 540 CO 0.56 0.11 0.00 0.09 -0.68 0.00 0.00 175.30 175.38 3dob n ASN 541 N 2.46 -3.79 -4.85 0.23 4.13 -1.26 -4.93 115.26 107.25 3dob n ASN 541 Ca -0.16 0.13 -0.37 0.00 1.68 0.00 0.00 54.58 55.86 3dob n ASN 541 Cb 0.57 -2.55 -0.06 0.00 -1.54 0.00 0.00 39.78 36.20 3dob n ASN 541 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 3dob s GLN 542 N -3.55 3.81 -0.03 3.52 -0.21 -1.26 -1.33 119.66 120.60 3dob s GLN 542 Ca 0.00 0.27 0.07 0.00 0.02 0.00 0.00 55.36 55.73 3dob s GLN 542 Cb 0.00 -3.15 -0.02 0.00 1.00 0.00 0.00 33.01 30.84 3dob s GLN 542 CO 0.00 0.67 -0.25 -0.51 -2.12 0.00 0.00 175.29 173.07 3dob s LEU 543 N -1.32 2.09 0.00 2.90 1.43 0.94 -0.90 118.68 123.83 3dob s LEU 543 Ca 0.25 -0.47 0.31 0.00 -1.03 0.00 0.00 54.13 53.19 3dob s LEU 543 Cb -0.15 -1.36 1.68 0.00 0.03 0.00 0.00 46.19 46.39 3dob s LEU 543 CO 0.14 0.30 2.10 -0.62 0.23 0.00 0.00 176.35 178.50