#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jgn n SER 409 N 0.00 1.82 0.24 1.61 2.88 -1.26 -4.88 113.62 114.02 2jgn n SER 409 Ca 0.00 1.18 0.08 0.00 -1.33 0.00 0.00 58.87 58.80 2jgn n SER 409 Cb 0.00 -1.36 0.58 0.00 -0.75 0.00 0.00 64.21 62.68 2jgn n SER 409 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 2jgn h THR 410 N 2.17 0.96 -0.03 2.46 2.02 -2.02 -2.16 112.91 116.31 2jgn h THR 410 Ca -0.42 -0.59 0.00 0.00 0.77 0.00 0.00 66.41 66.17 2jgn h THR 410 Cb 1.32 1.33 0.00 0.00 -1.74 0.00 0.00 68.15 69.06 2jgn h THR 410 CO 0.61 0.16 0.00 -1.54 0.37 0.00 0.00 175.52 175.12 2jgn n SER 411 N -4.11 0.74 -4.76 4.18 3.41 -1.26 -4.70 113.62 107.12 2jgn n SER 411 Ca -0.02 -1.33 -0.41 0.00 -0.26 0.00 0.00 58.87 56.84 2jgn n SER 411 Cb 0.24 -0.01 -0.00 0.00 -0.26 0.00 0.00 64.21 64.17 2jgn n SER 411 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2jgn n GLU 412 N -0.38 2.61 -2.48 4.33 -0.58 -0.81 -3.08 120.64 120.24 2jgn n GLU 412 Ca 0.20 0.92 -0.18 0.00 -0.42 0.00 0.00 57.16 57.68 2jgn n GLU 412 Cb 0.22 -2.65 0.00 0.00 -0.57 0.00 0.00 31.44 28.44 2jgn n GLU 412 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2jgn n ASN 413 N 0.91 -5.26 -4.05 1.62 3.02 -1.26 -4.95 115.26 105.28 2jgn n ASN 413 Ca 0.03 -0.07 -0.29 0.00 -0.03 0.00 0.00 54.58 54.22 2jgn n ASN 413 Cb 0.38 -4.28 -0.17 0.00 -0.61 0.00 0.00 39.78 35.11 2jgn n ASN 413 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2jgn s ILE 414 N -2.94 1.55 -0.18 2.41 1.01 -1.18 -1.17 121.20 120.71 2jgn s ILE 414 Ca 0.07 -0.66 -0.29 0.00 0.00 0.00 0.00 60.65 59.76 2jgn s ILE 414 Cb -0.03 -1.42 -0.00 0.00 0.01 0.00 0.00 42.46 41.02 2jgn s ILE 414 CO 0.08 0.45 1.04 -0.89 0.00 0.00 0.00 174.94 175.63 2jgn s THR 415 N 1.10 4.68 -0.25 2.92 2.01 0.46 -4.92 115.64 121.65 2jgn s THR 415 Ca -0.04 2.00 -0.06 0.00 0.31 0.00 0.00 61.69 63.90 2jgn s THR 415 Cb -0.14 -4.29 -0.02 0.00 0.01 0.00 0.00 72.50 68.06 2jgn s THR 415 CO -0.04 -0.11 0.04 -1.10 -0.69 0.00 0.00 174.62 172.73 2jgn s GLN 416 N 2.76 3.52 -0.32 4.92 -0.21 -1.26 -0.51 119.66 128.55 2jgn s GLN 416 Ca 0.46 -0.56 0.02 0.00 0.02 0.00 0.00 55.36 55.31 2jgn s GLN 416 Cb -0.17 -3.25 0.08 0.00 1.00 0.00 0.00 33.01 30.68 2jgn s GLN 416 CO 0.11 -0.22 0.02 0.15 -2.12 0.00 0.00 175.29 173.23 2jgn s LYS 417 N 1.57 1.93 -0.22 2.91 -0.14 0.04 -4.48 119.74 121.34 2jgn s LYS 417 Ca 0.06 -1.62 -0.09 0.00 -1.36 0.00 0.00 55.97 52.96 2jgn s LYS 417 Cb -0.15 -3.17 -0.04 0.00 -1.68 0.00 0.00 37.83 32.79 2jgn s LYS 417 CO 0.02 -0.80 0.12 0.08 -0.76 0.00 0.00 175.35 174.01 2jgn s VAL 418 N 1.05 5.05 0.05 3.17 1.01 -1.26 -0.46 120.40 129.01 2jgn s VAL 418 Ca 0.02 0.07 0.05 0.00 0.00 0.00 0.00 61.98 62.12 2jgn s VAL 418 Cb -0.20 -3.33 -0.03 0.00 0.00 0.00 0.00 36.38 32.82 2jgn s VAL 418 CO -0.05 0.38 -0.14 0.68 0.00 0.00 0.00 175.10 175.97 2jgn s VAL 419 N 0.93 1.09 -0.14 2.92 -7.23 -0.15 -4.79 120.40 113.02 2jgn s VAL 419 Ca 0.06 -1.14 -0.27 0.00 -1.81 0.00 0.00 61.98 58.82 2jgn s VAL 419 Cb -0.13 -1.02 -0.01 0.00 0.56 0.00 0.00 36.38 35.77 2jgn s VAL 419 CO 0.03 -0.12 0.89 0.86 -0.31 0.00 0.00 175.10 176.45 2jgn s TRP 420 N -1.06 3.46 -0.06 2.82 -0.11 -1.26 -0.93 118.94 121.80 2jgn s TRP 420 Ca -0.00 1.38 -0.03 0.00 1.22 0.00 0.00 56.10 58.67 2jgn s TRP 420 Cb -0.09 -3.07 0.04 0.00 -1.50 0.00 0.00 33.47 28.85 2jgn s TRP 420 CO 0.02 -0.22 0.11 0.08 -4.62 0.00 0.00 176.95 172.31 2jgn s VAL 421 N 2.05 -0.18 0.54 5.86 1.01 0.16 -4.83 120.40 125.01 2jgn s VAL 421 Ca 0.42 0.39 -0.21 0.00 0.00 0.00 0.00 61.98 62.58 2jgn s VAL 421 Cb -0.17 -0.22 -0.05 0.00 0.00 0.00 0.00 36.38 35.94 2jgn s VAL 421 CO 0.14 0.16 1.22 -1.61 0.00 0.00 0.00 175.10 175.02 2jgn s GLU 422 N 2.23 3.26 0.23 2.72 0.41 -1.26 -4.30 118.70 121.99 2jgn s GLU 422 Ca 0.04 1.89 -0.12 0.00 -0.41 0.00 0.00 54.97 56.37 2jgn s GLU 422 Cb -0.12 -2.14 0.30 0.00 -1.78 0.00 0.00 34.13 30.38 2jgn s GLU 422 CO -0.04 -0.99 1.61 0.93 -0.49 0.00 0.00 175.26 176.28 2jgn h GLU 423 N 1.37 0.01 0.00 1.61 4.39 -2.00 -0.67 114.58 119.29 2jgn h GLU 423 Ca -0.50 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.20 2jgn h GLU 423 Cb 1.28 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.93 2jgn h GLU 423 CO 0.57 0.00 0.00 -1.13 -1.16 0.00 0.00 179.01 177.29 2jgn n SER 424 N -5.47 0.00 -0.26 1.42 3.41 -1.26 -2.20 113.62 109.26 2jgn n SER 424 Ca 0.10 0.22 0.03 0.00 -0.26 0.00 0.00 58.87 58.96 2jgn n SER 424 Cb 0.37 -0.32 0.03 0.00 -0.26 0.00 0.00 64.21 64.03 2jgn n SER 424 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2jgn n ASP 425 N -1.32 1.53 -0.32 4.04 8.00 -0.27 -4.76 116.55 123.45 2jgn n ASP 425 Ca 0.04 -1.27 -0.04 0.00 0.71 0.00 0.00 54.79 54.23 2jgn n ASP 425 Cb 0.07 0.02 0.08 0.00 -0.02 0.00 0.00 41.12 41.27 2jgn n ASP 425 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 2jgn h LYS 426 N 1.29 1.20 -0.32 -1.24 1.57 -1.30 -0.84 116.57 116.93 2jgn h LYS 426 Ca 0.00 -0.15 -0.09 0.00 -1.87 0.00 0.00 60.65 58.54 2jgn h LYS 426 Cb 0.28 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 2jgn h LYS 426 CO 0.00 0.89 -0.15 0.00 -0.57 0.00 0.00 179.45 179.62 2jgn h ARG 427 N 1.20 0.66 -0.26 3.15 3.08 -1.86 -0.22 114.38 120.13 2jgn h ARG 427 Ca 0.30 -0.29 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 2jgn h ARG 427 Cb 0.05 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 2jgn h ARG 427 CO -0.05 0.88 0.08 1.03 -1.07 0.00 0.00 179.97 180.84 2jgn h SER 428 N 0.43 0.38 -0.73 7.04 0.87 -1.86 -1.39 113.55 118.30 2jgn h SER 428 Ca 0.07 -0.21 0.08 0.00 -1.23 0.00 0.00 61.79 60.51 2jgn h SER 428 Cb 0.67 -0.10 -0.07 0.00 -0.44 0.00 0.00 62.40 62.47 2jgn h SER 428 CO 0.05 0.48 0.39 0.15 -0.53 0.00 0.00 176.83 177.37 2jgn h PHE 429 N 0.25 0.70 -0.51 2.24 3.57 -1.11 -1.67 116.94 120.41 2jgn h PHE 429 Ca 0.08 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.57 2jgn h PHE 429 Cb 0.24 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.75 2jgn h PHE 429 CO 0.00 0.28 0.17 1.25 -2.23 0.00 0.00 178.31 177.79 2jgn h LEU 430 N 0.67 0.73 0.06 0.59 5.85 -0.63 0.30 115.31 122.88 2jgn h LEU 430 Ca 0.35 -0.20 -0.00 0.00 0.84 0.00 0.00 57.88 58.87 2jgn h LEU 430 Cb 0.32 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.16 2jgn h LEU 430 CO -0.24 0.73 -0.03 -0.07 -0.34 0.00 0.00 178.44 178.50 2jgn h LEU 431 N 0.69 -0.07 -0.96 2.25 3.38 -0.91 0.38 115.31 120.07 2jgn h LEU 431 Ca 0.17 -0.03 0.09 0.00 0.09 0.00 0.00 57.88 58.19 2jgn h LEU 431 Cb 0.26 0.02 -0.07 0.00 0.09 0.00 0.00 40.66 40.95 2jgn h LEU 431 CO -0.01 -0.01 0.61 0.44 0.09 0.00 0.00 178.44 179.55 2jgn h ASP 432 N -0.11 0.93 -0.41 -0.43 3.32 -1.16 -0.81 116.42 117.75 2jgn h ASP 432 Ca -0.01 0.03 -0.14 0.00 0.02 0.00 0.00 57.03 56.94 2jgn h ASP 432 Cb 0.09 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 2jgn h ASP 432 CO 0.01 0.55 -0.28 0.25 -1.72 0.00 0.00 179.24 178.05 2jgn h LEU 433 N 1.04 0.95 -0.97 1.55 5.85 0.83 0.39 115.31 124.96 2jgn h LEU 433 Ca 0.45 -0.43 -0.07 0.00 0.84 0.00 0.00 57.88 58.67 2jgn h LEU 433 Cb 0.31 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 2jgn h LEU 433 CO -0.22 1.18 0.02 -0.07 -0.34 0.00 0.00 178.44 179.01 2jgn h LEU 434 N 0.73 0.73 -0.70 2.25 3.38 0.12 -1.55 115.31 120.28 2jgn h LEU 434 Ca 0.08 -0.17 -0.09 0.00 0.09 0.00 0.00 57.88 57.79 2jgn h LEU 434 Cb 0.86 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 2jgn h LEU 434 CO 0.08 0.79 -0.01 0.78 0.09 0.00 0.00 178.44 180.16 2jgn h ASN 435 N 0.73 0.97 1.11 -0.43 -0.26 -0.91 -2.72 115.58 114.08 2jgn h ASN 435 Ca 0.15 -0.27 -0.12 0.00 -0.56 0.00 0.00 56.30 55.50 2jgn h ASN 435 Cb 0.41 -0.26 -0.02 0.00 -1.06 0.00 0.00 38.32 37.39 2jgn h ASN 435 CO 0.01 1.03 -0.94 0.00 -1.06 0.00 0.00 177.43 176.48 2jgn h ALA 436 N 1.06 0.66 0.00 -0.83 0.00 -0.70 -3.16 119.26 116.29 2jgn h ALA 436 Ca 0.16 -0.56 -0.05 0.00 0.00 0.00 0.00 54.91 54.47 2jgn h ALA 436 Cb 0.55 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2jgn h ALA 436 CO 0.03 0.66 -0.89 1.15 0.00 0.00 0.00 179.25 180.20 2jgn h THR 437 N 0.00 0.20 -3.48 0.00 2.02 -1.41 -3.51 112.91 106.74 2jgn h THR 437 Ca -0.07 -1.35 0.00 0.00 0.77 0.00 0.00 66.41 65.76 2jgn h THR 437 Cb 1.41 1.79 0.00 0.00 -1.74 0.00 0.00 68.15 69.62 2jgn h THR 437 CO 0.05 0.11 -0.40 0.61 0.37 0.00 0.00 175.52 176.26 2jgn n GLY 438 N 1.22 -2.04 0.00 2.16 0.00 -1.02 -5.09 105.19 100.42 2jgn n GLY 438 Ca -0.01 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2jgn n GLY 438 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2jgn n SER 441 N 0.45 0.00 -4.60 1.61 3.41 -1.26 -5.09 113.62 108.13 2jgn n SER 441 Ca 0.00 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.18 2jgn n SER 441 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 2jgn n SER 441 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2jgn s LEU 442 N 0.00 3.54 -0.11 1.04 1.43 -1.26 -4.76 118.68 118.56 2jgn s LEU 442 Ca 0.00 1.63 0.02 0.00 -1.03 0.00 0.00 54.13 54.75 2jgn s LEU 442 Cb 0.00 -3.52 0.01 0.00 0.03 0.00 0.00 46.19 42.71 2jgn s LEU 442 CO 0.00 -1.75 -0.19 -0.89 0.23 0.00 0.00 176.35 173.75 2jgn s THR 443 N 7.26 1.75 -0.19 5.49 2.01 -0.35 -1.61 115.64 129.99 2jgn s THR 443 Ca 0.88 -0.80 -0.04 0.00 0.31 0.00 0.00 61.69 62.04 2jgn s THR 443 Cb -0.28 -1.56 -0.02 0.00 0.01 0.00 0.00 72.50 70.65 2jgn s THR 443 CO 0.34 0.49 -0.02 -0.22 -0.69 0.00 0.00 174.62 174.52 2jgn s LEU 444 N 0.78 3.19 -0.18 4.42 2.96 0.01 -1.70 118.68 128.16 2jgn s LEU 444 Ca -0.10 -0.21 -0.02 0.00 -0.22 0.00 0.00 54.13 53.59 2jgn s LEU 444 Cb -0.16 -1.79 -0.00 0.00 0.50 0.00 0.00 46.19 44.74 2jgn s LEU 444 CO 0.01 0.09 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.33 2jgn s VAL 445 N 0.83 2.96 -0.16 1.68 1.01 -0.12 -0.93 120.40 125.67 2jgn s VAL 445 Ca -0.00 -0.65 -0.07 0.00 0.00 0.00 0.00 61.98 61.25 2jgn s VAL 445 Cb -0.14 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 33.90 2jgn s VAL 445 CO 0.02 0.48 0.08 -0.36 0.00 0.00 0.00 175.10 175.32 2jgn s PHE 446 N 1.08 3.34 0.35 5.22 0.08 0.87 -0.28 117.98 128.65 2jgn s PHE 446 Ca 0.00 0.22 0.07 0.00 0.12 0.00 0.00 56.93 57.35 2jgn s PHE 446 Cb -0.15 -2.04 -0.07 0.00 -0.57 0.00 0.00 43.02 40.20 2jgn s PHE 446 CO -0.02 0.33 -0.03 0.14 -0.10 0.00 0.00 175.22 175.53 2jgn s VAL 447 N -0.03 1.94 0.03 -0.44 -7.23 0.70 -1.79 120.40 113.57 2jgn s VAL 447 Ca 0.07 -2.10 -0.18 0.00 -1.81 0.00 0.00 61.98 57.97 2jgn s VAL 447 Cb -0.12 -2.76 -0.24 0.00 0.56 0.00 0.00 36.38 33.82 2jgn s VAL 447 CO 0.01 -0.12 1.12 -0.08 -0.31 0.00 0.00 175.10 175.71 2jgn h GLU 448 N 1.99 0.50 -5.34 4.82 4.81 -1.87 -3.38 114.58 116.11 2jgn h GLU 448 Ca -0.42 -0.56 -0.39 0.00 -0.13 0.00 0.00 59.36 57.85 2jgn h GLU 448 Cb 1.24 0.16 -0.16 0.00 0.63 0.00 0.00 28.75 30.62 2jgn h GLU 448 CO 0.74 1.19 -0.74 0.95 -0.73 0.00 0.00 179.01 180.42 2jgn s THR 449 N -3.19 1.37 0.19 0.32 -4.23 -1.26 -4.82 115.64 104.01 2jgn s THR 449 Ca -0.12 -1.94 -0.15 0.00 -1.18 0.00 0.00 61.69 58.31 2jgn s THR 449 Cb 0.04 -1.74 0.14 0.00 1.34 0.00 0.00 72.50 72.28 2jgn s THR 449 CO 0.86 -0.56 1.66 0.11 -0.54 0.00 0.00 174.62 176.15 2jgn h LYS 450 N 3.07 0.04 -0.76 3.99 1.57 -1.98 0.21 116.57 122.71 2jgn h LYS 450 Ca -0.38 -0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.40 2jgn h LYS 450 Cb 1.20 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 33.46 2jgn h LYS 450 CO 0.57 0.03 0.50 -0.22 -0.57 0.00 0.00 179.45 179.76 2jgn h LYS 451 N 0.04 1.01 -0.30 3.15 3.64 -2.00 -1.76 116.57 120.35 2jgn h LYS 451 Ca 0.25 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.54 2jgn h LYS 451 Cb 0.38 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 2jgn h LYS 451 CO -0.48 0.67 0.12 0.78 -2.27 0.00 0.00 179.45 178.27 2jgn h GLY 452 N 1.04 0.49 0.97 5.01 0.00 -1.84 -2.09 103.07 106.65 2jgn h GLY 452 Ca 0.28 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.34 2jgn h GLY 452 CO -0.06 0.26 0.05 0.00 0.00 0.00 0.00 176.54 176.79 2jgn h ALA 453 N 0.96 0.11 -0.18 3.60 0.00 -0.63 -1.15 119.26 121.96 2jgn h ALA 453 Ca 0.10 0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.05 2jgn h ALA 453 Cb 0.20 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 2jgn h ALA 453 CO -0.01 -0.41 -0.08 -0.44 0.00 0.00 0.00 179.25 178.32 2jgn h ASP 454 N 0.11 -0.26 -0.46 0.00 3.32 -1.36 -1.81 116.42 115.96 2jgn h ASP 454 Ca 0.04 0.07 -0.12 0.00 0.02 0.00 0.00 57.03 57.03 2jgn h ASP 454 Cb 0.00 0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 2jgn h ASP 454 CO -0.02 -0.10 -0.19 -1.28 -1.72 0.00 0.00 179.24 175.93 2jgn h SER 455 N -0.05 0.96 -0.68 6.45 0.87 -1.32 -2.13 113.55 117.66 2jgn h SER 455 Ca 0.10 -0.39 -0.06 0.00 -1.23 0.00 0.00 61.79 60.21 2jgn h SER 455 Cb 0.19 -0.27 -0.03 0.00 -0.44 0.00 0.00 62.40 61.86 2jgn h SER 455 CO -0.22 1.14 0.21 0.25 -0.53 0.00 0.00 176.83 177.68 2jgn h LEU 456 N 0.78 0.99 -0.80 2.23 5.85 -1.19 -0.40 115.31 122.78 2jgn h LEU 456 Ca 0.11 -0.21 -0.04 0.00 0.84 0.00 0.00 57.88 58.58 2jgn h LEU 456 Cb 0.76 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.50 2jgn h LEU 456 CO 0.06 0.94 0.36 -0.08 -0.34 0.00 0.00 178.44 179.38 2jgn h GLU 457 N 0.99 1.17 -0.34 1.25 4.81 -1.17 0.13 114.58 121.43 2jgn h GLU 457 Ca 0.22 -0.19 -0.06 0.00 -0.13 0.00 0.00 59.36 59.19 2jgn h GLU 457 Cb 0.30 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 2jgn h GLU 457 CO -0.01 0.93 -0.04 -0.44 -0.73 0.00 0.00 179.01 178.72 2jgn h ASP 458 N 1.15 0.62 -0.36 1.04 3.32 -1.27 0.38 116.42 121.30 2jgn h ASP 458 Ca 0.27 -0.34 0.08 0.00 0.02 0.00 0.00 57.03 57.06 2jgn h ASP 458 Cb 0.16 -0.17 -0.08 0.00 0.22 0.00 0.00 39.33 39.46 2jgn h ASP 458 CO -0.03 0.81 -0.23 0.15 -1.72 0.00 0.00 179.24 178.23 2jgn h PHE 459 N 0.42 -0.59 -0.40 4.55 3.57 -0.46 0.37 116.94 124.39 2jgn h PHE 459 Ca 0.09 0.05 -0.10 0.00 3.53 0.00 0.00 57.97 61.54 2jgn h PHE 459 Cb 0.52 0.32 -0.02 0.00 2.79 0.00 0.00 35.95 39.56 2jgn h PHE 459 CO 0.04 -0.31 -0.15 -0.07 -2.23 0.00 0.00 178.31 175.60 2jgn h LEU 460 N -0.18 0.73 -0.50 0.59 3.38 -0.57 -1.89 115.31 116.87 2jgn h LEU 460 Ca 0.18 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 2jgn h LEU 460 Cb 0.45 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 2jgn h LEU 460 CO -0.46 0.89 0.20 0.22 0.09 0.00 0.00 178.44 179.37 2jgn h TYR 461 N 0.66 0.76 -0.49 1.13 3.20 -0.54 -0.03 116.97 121.65 2jgn h TYR 461 Ca 0.11 -0.06 -0.01 0.00 3.14 0.00 0.00 58.73 61.91 2jgn h TYR 461 Cb 0.62 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.64 2jgn h TYR 461 CO 0.03 0.63 0.28 0.45 -1.64 0.00 0.00 178.16 177.91 2jgn h HIS 462 N 0.67 0.67 0.00 -3.82 3.86 -0.75 -2.95 115.15 112.82 2jgn h HIS 462 Ca 0.17 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.37 2jgn h HIS 462 Cb 0.19 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 28.45 2jgn h HIS 462 CO 0.00 0.49 0.00 0.39 0.86 0.00 0.00 177.93 179.67 2jgn n GLU 463 N -4.67 0.75 0.00 2.45 -0.58 -0.73 -4.84 120.64 113.02 2jgn n GLU 463 Ca 0.02 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.76 2jgn n GLU 463 Cb 0.07 -1.26 0.00 0.00 -0.57 0.00 0.00 31.44 29.69 2jgn n GLU 463 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2jgn n GLY 464 N 0.38 0.56 3.80 0.62 0.00 -1.11 -5.06 105.19 104.37 2jgn n GLY 464 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 2jgn n GLY 464 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jgn s TYR 465 N -2.00 3.80 -0.33 1.61 2.02 -0.04 -5.00 117.35 117.40 2jgn s TYR 465 Ca 0.00 1.31 -0.23 0.00 -0.37 0.00 0.00 57.07 57.78 2jgn s TYR 465 Cb 0.00 -2.56 0.00 0.00 -0.40 0.00 0.00 41.96 39.01 2jgn s TYR 465 CO 0.00 0.53 0.77 0.00 -1.57 0.00 0.00 175.55 175.28 2jgn s ALA 466 N -0.94 3.48 0.17 3.71 0.00 -1.26 -3.99 121.76 122.93 2jgn s ALA 466 Ca 0.30 -0.56 -0.14 0.00 0.00 0.00 0.00 51.96 51.57 2jgn s ALA 466 Cb -0.20 -3.30 0.01 0.00 0.00 0.00 0.00 23.12 19.63 2jgn s ALA 466 CO 0.20 -1.32 0.40 0.00 0.00 0.00 0.00 175.76 175.04 2jgn s THR 468 N -3.90 0.00 -0.01 0.00 -1.32 -0.18 -4.97 115.64 105.25 2jgn s THR 468 Ca 0.11 -1.99 -0.10 0.00 -1.21 0.00 0.00 61.69 58.50 2jgn s THR 468 Cb 0.01 -2.50 0.01 0.00 -1.51 0.00 0.00 72.50 68.51 2jgn s THR 468 CO -0.03 0.00 0.21 -0.94 -2.21 0.00 0.00 174.62 171.66 2jgn s SER 469 N -3.31 -0.09 -0.05 8.08 1.04 -1.26 -0.44 113.70 117.67 2jgn s SER 469 Ca 0.40 -0.02 0.03 0.00 0.48 0.00 0.00 55.95 56.84 2jgn s SER 469 Cb 0.03 0.28 0.01 0.00 0.10 0.00 0.00 66.02 66.44 2jgn s SER 469 CO 0.23 -0.37 -0.12 0.27 0.98 0.00 0.00 173.24 174.24 2jgn s ILE 470 N -1.19 1.06 0.36 -1.02 -4.36 0.11 -4.89 121.20 111.27 2jgn s ILE 470 Ca -0.13 -0.48 -0.06 0.00 -0.26 0.00 0.00 60.65 59.73 2jgn s ILE 470 Cb -0.06 -0.95 0.02 0.00 1.25 0.00 0.00 42.46 42.72 2jgn s ILE 470 CO 0.02 0.33 0.58 0.00 0.24 0.00 0.00 174.94 176.11 2jgn n HIS 471 N 3.52 -1.75 -0.09 1.37 1.44 -1.26 -2.60 115.22 115.85 2jgn n HIS 471 Ca -0.21 -2.16 0.20 0.00 -2.01 0.00 0.00 57.72 53.55 2jgn n HIS 471 Cb 0.53 0.67 0.63 0.00 0.12 0.00 0.00 29.99 31.94 2jgn n HIS 471 CO 0.00 0.00 0.00 0.78 -2.81 0.00 0.00 176.34 174.31 2jgn h GLY 472 N 1.95 0.26 -1.62 -1.39 0.00 -1.95 -1.93 103.07 98.38 2jgn h GLY 472 Ca -0.29 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 46.98 2jgn h GLY 472 CO 0.38 0.02 0.00 1.22 0.00 0.00 0.00 176.54 178.16 2jgn n ASP 473 N -4.40 2.54 -4.72 0.19 8.00 -1.26 -4.89 116.55 112.01 2jgn n ASP 473 Ca 0.13 -1.91 -0.41 0.00 0.71 0.00 0.00 54.79 53.32 2jgn n ASP 473 Cb 0.65 -0.24 -0.04 0.00 -0.02 0.00 0.00 41.12 41.47 2jgn n ASP 473 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2jgn s ARG 474 N -1.52 4.53 0.88 -1.24 1.81 -0.73 -5.06 118.95 117.62 2jgn s ARG 474 Ca 0.34 1.19 -0.13 0.00 -1.72 0.00 0.00 55.73 55.41 2jgn s ARG 474 Cb 0.19 -3.43 0.05 0.00 -0.45 0.00 0.00 34.95 31.31 2jgn s ARG 474 CO 0.26 0.08 0.72 -1.13 -0.68 0.00 0.00 175.30 174.55 2jgn n SER 475 N 3.51 -0.89 -0.03 0.23 3.41 -1.26 -4.66 113.62 113.92 2jgn n SER 475 Ca 0.02 0.44 -0.04 0.00 -0.26 0.00 0.00 58.87 59.03 2jgn n SER 475 Cb 0.51 -1.32 0.19 0.00 -0.26 0.00 0.00 64.21 63.33 2jgn n SER 475 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 2jgn h GLN 476 N -1.29 0.60 0.13 4.33 5.75 -1.99 0.71 115.11 123.35 2jgn h GLN 476 Ca -0.44 -0.20 0.02 0.00 -0.15 0.00 0.00 58.65 57.87 2jgn h GLN 476 Cb 1.29 -0.05 -0.03 0.00 1.07 0.00 0.00 27.48 29.76 2jgn h GLN 476 CO 0.39 0.74 -0.25 0.00 -2.65 0.00 0.00 178.83 177.06 2jgn h ARG 477 N 0.54 -0.44 -0.70 1.69 3.08 -1.99 -1.45 114.38 115.11 2jgn h ARG 477 Ca 0.09 0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.16 2jgn h ARG 477 Cb 0.59 0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.71 2jgn h ARG 477 CO 0.04 -0.29 0.41 -0.44 -1.07 0.00 0.00 179.97 178.62 2jgn h ASP 478 N -0.46 0.84 -0.35 7.04 5.19 -1.73 0.01 116.42 126.96 2jgn h ASP 478 Ca 0.03 -0.05 -0.04 0.00 -0.62 0.00 0.00 57.03 56.35 2jgn h ASP 478 Cb 0.48 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 39.76 2jgn h ASP 478 CO -0.13 0.65 0.07 0.03 -3.12 0.00 0.00 179.24 176.74 2jgn h ARG 479 N 0.96 0.56 -0.49 3.56 3.08 -0.70 -1.98 114.38 119.38 2jgn h ARG 479 Ca 0.25 -0.14 -0.07 0.00 0.07 0.00 0.00 59.98 60.09 2jgn h ARG 479 Cb -0.02 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 29.93 2jgn h ARG 479 CO -0.05 0.63 0.02 0.93 -1.07 0.00 0.00 179.97 180.43 2jgn h GLU 480 N 0.41 0.80 -0.37 0.04 5.08 -0.51 -2.37 114.58 117.65 2jgn h GLU 480 Ca 0.11 -0.21 -0.09 0.00 -1.00 0.00 0.00 59.36 58.17 2jgn h GLU 480 Cb 0.33 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 2jgn h GLU 480 CO 0.00 0.79 -0.11 1.49 -1.00 0.00 0.00 179.01 180.18 2jgn h GLU 481 N 0.75 0.72 0.43 2.33 4.57 -0.99 -1.96 114.58 120.44 2jgn h GLU 481 Ca 0.15 -0.29 -0.02 0.00 -1.18 0.00 0.00 59.36 58.02 2jgn h GLU 481 Cb 0.43 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.99 2jgn h GLU 481 CO 0.02 0.89 -0.21 0.00 -1.18 0.00 0.00 179.01 178.53 2jgn h ALA 482 N 0.82 -0.58 -0.80 2.92 0.00 -1.25 0.29 119.26 120.66 2jgn h ALA 482 Ca 0.09 -0.14 0.19 0.00 0.00 0.00 0.00 54.91 55.04 2jgn h ALA 482 Cb 0.63 0.22 -0.12 0.00 0.00 0.00 0.00 17.79 18.53 2jgn h ALA 482 CO 0.04 -0.79 0.22 1.25 0.00 0.00 0.00 179.25 179.97 2jgn h LEU 483 N -0.64 0.04 -0.56 0.00 5.85 -1.51 0.19 115.31 118.67 2jgn h LEU 483 Ca -0.06 0.16 -0.07 0.00 0.84 0.00 0.00 57.88 58.75 2jgn h LEU 483 Cb 0.48 0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.70 2jgn h LEU 483 CO 0.10 -0.06 0.08 -0.74 -0.34 0.00 0.00 178.44 177.47 2jgn h HIS 484 N 0.27 1.01 -0.23 1.25 2.76 -0.96 -0.50 115.15 118.75 2jgn h HIS 484 Ca 0.47 -0.15 -0.12 0.00 -2.20 0.00 0.00 60.37 58.38 2jgn h HIS 484 Cb 0.86 -0.27 -0.01 0.00 1.55 0.00 0.00 27.41 29.53 2jgn h HIS 484 CO -0.25 0.89 -0.36 1.96 -1.30 0.00 0.00 177.93 178.87 2jgn h GLN 485 N 0.84 0.49 0.75 5.26 4.20 -0.14 -1.91 115.11 124.60 2jgn h GLN 485 Ca 0.17 -0.23 -0.04 0.00 0.06 0.00 0.00 58.65 58.62 2jgn h GLN 485 Cb 0.43 -0.01 0.01 0.00 0.30 0.00 0.00 27.48 28.21 2jgn h GLN 485 CO 0.01 0.78 -0.36 0.35 -0.67 0.00 0.00 178.83 178.95 2jgn h PHE 486 N 0.42 -0.93 -0.33 2.96 3.57 -0.43 -0.50 116.94 121.69 2jgn h PHE 486 Ca 0.04 -0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.41 2jgn h PHE 486 Cb 0.82 0.31 -0.01 0.00 2.79 0.00 0.00 35.95 39.86 2jgn h PHE 486 CO 0.03 -0.57 -0.23 0.00 -2.23 0.00 0.00 178.31 175.31 2jgn h ARG 487 N -1.06 0.74 0.00 1.11 3.08 -1.06 -1.62 114.38 115.57 2jgn h ARG 487 Ca -0.10 -0.35 0.00 0.00 0.07 0.00 0.00 59.98 59.60 2jgn h ARG 487 Cb 0.78 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.83 2jgn h ARG 487 CO 0.17 0.97 0.00 -1.13 -1.07 0.00 0.00 179.97 178.91 2jgn n SER 488 N -4.28 0.27 0.00 7.04 3.41 -0.72 -4.84 113.62 114.50 2jgn n SER 488 Ca -0.03 0.62 0.00 0.00 -0.26 0.00 0.00 58.87 59.20 2jgn n SER 488 Cb 0.44 -0.66 0.00 0.00 -0.26 0.00 0.00 64.21 63.73 2jgn n SER 488 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jgn n GLY 489 N -1.31 0.96 0.31 5.00 0.00 -0.61 -4.94 105.19 104.60 2jgn n GLY 489 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.97 2jgn n GLY 489 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jgn h LYS 490 N 3.44 0.92 -3.18 1.61 1.57 -1.38 -3.32 116.57 116.23 2jgn h LYS 490 Ca 0.00 -0.20 -0.63 0.00 -1.87 0.00 0.00 60.65 57.95 2jgn h LYS 490 Cb 0.00 -0.13 -0.41 0.00 0.08 0.00 0.00 32.23 31.77 2jgn h LYS 490 CO 0.00 0.82 -0.68 -1.12 -0.57 0.00 0.00 179.45 177.91 2jgn s SER 491 N -6.55 4.01 0.42 0.86 0.01 -0.34 -4.89 113.70 107.23 2jgn s SER 491 Ca -0.10 -2.91 0.29 0.00 1.31 0.00 0.00 55.95 54.54 2jgn s SER 491 Cb 0.15 -1.36 1.46 0.00 0.21 0.00 0.00 66.02 66.48 2jgn s SER 491 CO 0.81 -0.23 1.89 1.55 0.41 0.00 0.00 173.24 177.67 2jgn h PRO 492 N 6.50 0.00 -5.24 12.44 0.13 -1.66 -3.31 132.00 140.85 2jgn h PRO 492 Ca -0.03 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.46 2jgn h PRO 492 Cb 0.90 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 31.80 2jgn h PRO 492 CO 0.60 0.00 -0.67 0.42 -0.23 0.00 0.00 178.00 178.12 2jgn s ILE 493 N -3.65 3.87 -0.18 -3.56 1.01 -1.17 -1.21 121.20 116.31 2jgn s ILE 493 Ca -0.01 -0.36 0.00 0.00 0.00 0.00 0.00 60.65 60.28 2jgn s ILE 493 Cb 0.09 -2.71 0.01 0.00 0.01 0.00 0.00 42.46 39.86 2jgn s ILE 493 CO 0.35 0.47 -0.16 -0.22 0.00 0.00 0.00 174.94 175.38 2jgn s LEU 494 N 0.57 2.35 -0.17 2.97 2.96 -0.69 -1.01 118.68 125.67 2jgn s LEU 494 Ca -0.02 -0.55 -0.15 0.00 -0.22 0.00 0.00 54.13 53.18 2jgn s LEU 494 Cb -0.14 -1.54 -0.04 0.00 0.50 0.00 0.00 46.19 44.96 2jgn s LEU 494 CO 0.02 0.03 0.36 -0.69 -1.32 0.00 0.00 176.35 174.75 2jgn s VAL 495 N 1.14 5.25 0.02 1.68 1.01 0.41 -0.95 120.40 128.97 2jgn s VAL 495 Ca 0.01 0.68 0.01 0.00 0.00 0.00 0.00 61.98 62.68 2jgn s VAL 495 Cb -0.14 -3.70 -0.02 0.00 0.00 0.00 0.00 36.38 32.52 2jgn s VAL 495 CO -0.07 0.33 -0.05 0.00 0.00 0.00 0.00 175.10 175.32 2jgn s ALA 496 N 0.77 0.35 0.51 5.51 0.00 0.62 -0.71 121.76 128.80 2jgn s ALA 496 Ca 0.19 -0.51 -0.03 0.00 0.00 0.00 0.00 51.96 51.61 2jgn s ALA 496 Cb -0.14 0.04 -0.00 0.00 0.00 0.00 0.00 23.12 23.02 2jgn s ALA 496 CO 0.06 -0.03 0.77 0.95 0.00 0.00 0.00 175.76 177.52 2jgn s THR 497 N -0.98 3.99 0.20 0.00 -4.23 -1.07 -0.21 115.64 113.33 2jgn s THR 497 Ca -0.08 -0.21 -0.12 0.00 -1.18 0.00 0.00 61.69 60.10 2jgn s THR 497 Cb -0.07 -3.52 0.13 0.00 1.34 0.00 0.00 72.50 70.38 2jgn s THR 497 CO -0.00 -0.45 1.71 0.00 -0.54 0.00 0.00 174.62 175.33 2jgn h ALA 498 N 0.15 0.61 -1.85 3.99 0.00 -1.88 -3.36 119.26 116.92 2jgn h ALA 498 Ca -0.46 0.12 -0.57 0.00 0.00 0.00 0.00 54.91 54.00 2jgn h ALA 498 Cb 1.25 0.16 -0.07 0.00 0.00 0.00 0.00 17.79 19.13 2jgn h ALA 498 CO 0.59 -0.31 0.86 0.54 0.00 0.00 0.00 179.25 180.93 2jgn s VAL 499 N -6.13 4.37 0.00 0.00 0.11 -1.26 -5.16 120.40 112.33 2jgn s VAL 499 Ca -0.13 1.42 0.00 0.00 -2.93 0.00 0.00 61.98 60.34 2jgn s VAL 499 Cb 0.16 -4.50 0.00 0.00 -1.53 0.00 0.00 36.38 30.52 2jgn s VAL 499 CO 0.73 -0.74 0.00 0.00 -3.33 0.00 0.00 175.10 171.76 2jgn n ALA 500 N 7.33 0.00 0.00 1.54 0.00 -1.26 -4.16 120.51 123.96 2jgn n ALA 500 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 2jgn n ALA 500 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 2jgn n ALA 500 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2jgn n ILE 506 N 0.45 0.00 -3.89 0.00 5.41 -1.26 -4.88 119.36 115.19 2jgn n ILE 506 Ca 0.00 0.00 -0.09 0.00 1.00 0.00 0.00 62.75 63.66 2jgn n ILE 506 Cb 0.00 0.00 -0.01 0.00 -0.71 0.00 0.00 39.64 38.92 2jgn n ILE 506 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 2jgn s SER 507 N 0.00 0.08 -1.38 4.38 1.04 -1.26 -4.81 113.70 111.76 2jgn s SER 507 Ca 0.00 -1.05 -0.02 0.00 0.48 0.00 0.00 55.95 55.36 2jgn s SER 507 Cb 0.00 0.76 0.00 0.00 0.10 0.00 0.00 66.02 66.89 2jgn s SER 507 CO 0.00 -1.49 0.29 0.59 0.98 0.00 0.00 173.24 173.61 2jgn n ASN 508 N -1.07 -5.25 -4.83 7.02 5.03 -0.53 -4.99 115.26 110.64 2jgn n ASN 508 Ca -0.05 -0.14 -0.32 0.00 0.87 0.00 0.00 54.58 54.93 2jgn n ASN 508 Cb 0.60 -4.20 -0.03 0.00 -1.02 0.00 0.00 39.78 35.14 2jgn n ASN 508 CO 0.00 0.00 0.00 0.68 -1.83 0.00 0.00 177.26 176.11 2jgn s VAL 509 N -2.98 4.39 0.18 2.41 -7.23 -0.53 -4.54 120.40 112.10 2jgn s VAL 509 Ca 0.14 1.15 -0.02 0.00 -1.81 0.00 0.00 61.98 61.44 2jgn s VAL 509 Cb -0.06 -3.66 -0.09 0.00 0.56 0.00 0.00 36.38 33.13 2jgn s VAL 509 CO 0.18 -0.65 1.46 0.50 -0.31 0.00 0.00 175.10 176.27 2jgn h LYS 510 N 0.84 0.47 -3.09 4.82 3.64 -1.64 -0.73 116.57 120.89 2jgn h LYS 510 Ca -0.47 -0.35 -0.24 0.00 -1.27 0.00 0.00 60.65 58.32 2jgn h LYS 510 Cb 1.19 0.06 -0.33 0.00 -0.41 0.00 0.00 32.23 32.75 2jgn h LYS 510 CO 0.61 0.97 -0.57 -1.58 -2.27 0.00 0.00 179.45 176.61 2jgn s HIS 511 N -3.76 -0.25 -0.20 1.91 2.46 -0.90 -3.62 115.29 110.93 2jgn s HIS 511 Ca -0.06 0.67 -0.07 0.00 0.47 0.00 0.00 55.06 56.07 2jgn s HIS 511 Cb 0.11 -0.10 -0.04 0.00 -0.13 0.00 0.00 32.58 32.42 2jgn s HIS 511 CO 0.84 -0.24 0.06 0.08 -2.47 0.00 0.00 174.74 173.01 2jgn s VAL 512 N 1.73 4.62 -0.24 0.89 1.01 -0.29 -0.81 120.40 127.32 2jgn s VAL 512 Ca -0.04 -0.09 -0.03 0.00 0.00 0.00 0.00 61.98 61.83 2jgn s VAL 512 Cb -0.12 -3.10 0.01 0.00 0.00 0.00 0.00 36.38 33.18 2jgn s VAL 512 CO -0.07 0.43 -0.05 -0.63 0.00 0.00 0.00 175.10 174.78 2jgn s ILE 513 N 0.66 3.07 -1.00 2.22 1.01 -0.10 -0.15 121.20 126.91 2jgn s ILE 513 Ca 0.03 -0.81 -0.20 0.00 0.00 0.00 0.00 60.65 59.67 2jgn s ILE 513 Cb -0.13 -2.49 0.11 0.00 0.01 0.00 0.00 42.46 39.95 2jgn s ILE 513 CO 0.02 0.29 1.29 0.20 0.00 0.00 0.00 174.94 176.73 2jgn s ASN 514 N 1.39 6.64 0.22 3.58 0.01 0.72 -0.09 114.94 127.41 2jgn s ASN 514 Ca 0.03 -1.97 -0.06 0.00 -0.71 0.00 0.00 52.86 50.14 2jgn s ASN 514 Cb -0.16 -2.46 0.18 0.00 0.41 0.00 0.00 41.25 39.23 2jgn s ASN 514 CO -0.04 -1.18 1.73 0.15 -1.51 0.00 0.00 177.10 176.25 2jgn h PHE 515 N 8.91 1.09 -4.07 2.20 3.57 -1.63 0.68 116.94 127.70 2jgn h PHE 515 Ca 0.20 -0.14 -0.62 0.00 3.53 0.00 0.00 57.97 60.95 2jgn h PHE 515 Cb 1.00 -0.31 -0.31 0.00 2.79 0.00 0.00 35.95 39.12 2jgn h PHE 515 CO 1.21 0.92 -0.86 -0.51 -2.23 0.00 0.00 178.31 176.84 2jgn s ASP 516 N -6.52 2.53 0.36 0.41 1.01 -1.07 -4.59 116.67 108.80 2jgn s ASP 516 Ca -0.11 -0.41 -0.10 0.00 0.71 0.00 0.00 52.55 52.64 2jgn s ASP 516 Cb 0.15 -0.60 -0.06 0.00 1.01 0.00 0.00 42.92 43.41 2jgn s ASP 516 CO 0.84 0.21 0.71 -0.76 0.21 0.00 0.00 175.17 176.37 2jgn s LEU 517 N -0.15 3.91 0.87 1.23 1.43 -1.26 -4.66 118.68 120.05 2jgn s LEU 517 Ca -0.01 1.04 -0.13 0.00 -1.03 0.00 0.00 54.13 54.00 2jgn s LEU 517 Cb -0.11 -3.90 0.12 0.00 0.03 0.00 0.00 46.19 42.33 2jgn s LEU 517 CO 0.02 -0.32 1.21 -2.16 0.23 0.00 0.00 176.35 175.32 2jgn s PRO 518 N -3.67 1.49 0.14 1.29 0.04 -1.26 -4.98 135.00 128.05 2jgn s PRO 518 Ca 0.50 0.01 0.24 0.00 0.04 0.00 0.00 61.00 61.79 2jgn s PRO 518 Cb -0.10 -1.91 0.34 0.00 0.04 0.00 0.00 34.50 32.87 2jgn s PRO 518 CO 0.29 -1.90 1.33 0.66 0.04 0.00 0.00 177.00 177.42 2jgn h SER 519 N -1.28 0.00 -3.32 6.66 4.64 -1.98 -3.46 113.55 114.81 2jgn h SER 519 Ca -0.46 -0.18 -0.65 0.00 -0.47 0.00 0.00 61.79 60.03 2jgn h SER 519 Cb 1.31 0.00 -0.24 0.00 -0.31 0.00 0.00 62.40 63.16 2jgn h SER 519 CO 0.59 0.09 -0.71 -0.62 -0.87 0.00 0.00 176.83 175.31 2jgn s ASP 520 N -4.37 4.45 0.42 4.97 -1.08 -1.26 -4.50 116.67 115.30 2jgn s ASP 520 Ca 0.06 -0.22 0.12 0.00 -0.52 0.00 0.00 52.55 51.98 2jgn s ASP 520 Cb 0.13 -1.71 0.90 0.00 -1.46 0.00 0.00 42.92 40.78 2jgn s ASP 520 CO 0.72 0.16 1.96 -0.29 0.52 0.00 0.00 175.17 178.24 2jgn h ILE 521 N 5.28 1.15 -0.55 4.11 6.09 -1.94 -2.01 117.51 129.64 2jgn h ILE 521 Ca -0.29 -0.66 -0.04 0.00 -1.37 0.00 0.00 64.86 62.50 2jgn h ILE 521 Cb 1.20 1.23 -0.03 0.00 0.47 0.00 0.00 36.82 39.69 2jgn h ILE 521 CO 0.60 0.20 0.19 -0.33 -3.07 0.00 0.00 178.15 175.74 2jgn h GLU 522 N 0.13 0.81 -0.29 2.19 5.08 -1.99 0.90 114.58 121.41 2jgn h GLU 522 Ca 0.03 -0.13 -0.05 0.00 -1.00 0.00 0.00 59.36 58.21 2jgn h GLU 522 Cb 0.32 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 2jgn h GLU 522 CO 0.02 0.68 -0.01 1.49 -1.00 0.00 0.00 179.01 180.20 2jgn h GLU 523 N 0.79 0.53 -0.43 2.33 4.81 -1.86 -1.98 114.58 118.76 2jgn h GLU 523 Ca 0.18 -0.17 0.08 0.00 -0.13 0.00 0.00 59.36 59.32 2jgn h GLU 523 Cb 0.20 -0.05 -0.07 0.00 0.63 0.00 0.00 28.75 29.47 2jgn h GLU 523 CO -0.01 0.68 0.04 -0.92 -0.73 0.00 0.00 179.01 178.06 2jgn h TYR 524 N 0.31 0.04 -0.34 0.92 3.20 -0.90 -0.78 116.97 119.43 2jgn h TYR 524 Ca 0.08 0.03 0.05 0.00 3.14 0.00 0.00 58.73 62.03 2jgn h TYR 524 Cb 0.45 0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.72 2jgn h TYR 524 CO 0.04 -0.05 0.06 0.28 -1.64 0.00 0.00 178.16 176.85 2jgn h VAL 525 N 0.15 0.83 -0.64 1.81 2.07 -0.77 -1.44 116.25 118.27 2jgn h VAL 525 Ca 0.22 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.66 2jgn h VAL 525 Cb 0.30 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 2jgn h VAL 525 CO -0.33 0.03 0.34 -0.74 0.02 0.00 0.00 177.57 176.89 2jgn h HIS 526 N 0.18 0.86 0.04 1.57 -0.00 -0.97 -0.95 115.15 115.89 2jgn h HIS 526 Ca 0.16 -0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 60.51 2jgn h HIS 526 Cb 0.18 -0.28 0.00 0.00 -0.00 0.00 0.00 27.41 27.31 2jgn h HIS 526 CO -0.18 0.61 -0.02 0.00 -0.00 0.00 0.00 177.93 178.34 2jgn h ARG 527 N 0.89 -0.06 0.00 5.26 3.08 -0.60 -3.28 114.38 119.67 2jgn h ARG 527 Ca 0.23 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.20 2jgn h ARG 527 Cb 0.04 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 2jgn h ARG 527 CO -0.04 0.25 -0.36 -0.84 -1.07 0.00 0.00 179.97 177.92 2jgn h ILE 528 N -0.37 0.89 0.00 2.04 3.07 -1.11 -2.16 117.51 119.87 2jgn h ILE 528 Ca -0.01 -1.43 0.00 0.00 1.55 0.00 0.00 64.86 64.98 2jgn h ILE 528 Cb 0.33 1.86 0.00 0.00 -0.27 0.00 0.00 36.82 38.75 2jgn h ILE 528 CO 0.01 0.35 0.05 0.61 -1.05 0.00 0.00 178.15 178.12 2jgn n GLY 529 N 0.10 -0.39 0.04 0.16 0.00 -0.38 -1.83 105.19 102.90 2jgn n GLY 529 Ca -0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.14 2jgn n GLY 529 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jgn n ARG 530 N -1.39 0.15 -3.81 1.61 1.74 -0.81 -4.79 116.66 109.36 2jgn n ARG 530 Ca 0.00 0.07 -0.37 0.00 -0.77 0.00 0.00 57.85 56.78 2jgn n ARG 530 Cb 0.05 -1.62 -0.06 0.00 -1.02 0.00 0.00 32.46 29.82 2jgn n ARG 530 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 2jgn s THR 531 N -3.08 5.43 0.00 0.55 -1.32 -0.76 -1.45 115.64 115.02 2jgn s THR 531 Ca 0.10 0.31 0.00 0.00 -1.21 0.00 0.00 61.69 60.89 2jgn s THR 531 Cb 0.15 -3.45 0.00 0.00 -1.51 0.00 0.00 72.50 67.69 2jgn s THR 531 CO 0.66 0.61 0.00 0.61 -2.21 0.00 0.00 174.62 174.28 2jgn n GLY 532 N 2.02 2.34 3.39 6.08 0.00 -0.28 -4.57 105.19 114.17 2jgn n GLY 532 Ca -0.19 -1.78 -0.26 0.00 0.00 0.00 0.00 46.02 43.79 2jgn n GLY 532 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2jgn s ARG 533 N -3.75 1.43 -0.00 1.61 3.52 -1.26 -3.93 118.95 116.56 2jgn s ARG 533 Ca 0.00 -1.45 -0.37 0.00 -0.13 0.00 0.00 55.73 53.78 2jgn s ARG 533 Cb 0.00 -1.73 -0.16 0.00 -1.56 0.00 0.00 34.95 31.50 2jgn s ARG 533 CO 0.00 0.38 1.51 0.28 -0.81 0.00 0.00 175.30 176.66 2jgn n VAL 534 N 0.44 0.12 0.00 7.11 0.31 -1.26 -1.34 118.33 123.70 2jgn n VAL 534 Ca -0.14 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 2jgn n VAL 534 Cb 0.55 -1.10 0.00 0.00 -0.91 0.00 0.00 33.84 32.39 2jgn n VAL 534 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2jgn n GLY 535 N 3.19 2.05 2.09 2.92 0.00 -1.26 -5.03 105.19 109.14 2jgn n GLY 535 Ca 0.20 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.05 2jgn n GLY 535 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2jgn n ASN 536 N 0.00 2.05 -4.36 1.61 0.23 -0.45 -5.15 115.26 109.19 2jgn n ASN 536 Ca 0.00 -2.31 -0.33 0.00 -0.53 0.00 0.00 54.58 51.41 2jgn n ASN 536 Cb 0.00 0.40 -0.14 0.00 -2.08 0.00 0.00 39.78 37.96 2jgn n ASN 536 CO 0.00 0.00 0.00 -0.22 -0.93 0.00 0.00 177.26 176.11 2jgn s LEU 537 N 0.00 2.79 0.77 -4.53 2.96 -1.26 -4.45 118.68 114.96 2jgn s LEU 537 Ca 0.06 -0.34 -0.07 0.00 -0.22 0.00 0.00 54.13 53.56 2jgn s LEU 537 Cb 0.00 -1.65 0.12 0.00 0.50 0.00 0.00 46.19 45.16 2jgn s LEU 537 CO 0.04 0.11 1.07 -0.83 -1.32 0.00 0.00 176.35 175.43 2jgn s GLY 538 N 0.66 1.74 -0.04 7.98 0.00 -0.32 -4.81 107.32 112.53 2jgn s GLY 538 Ca -0.05 -1.28 -0.02 0.00 0.00 0.00 0.00 44.72 43.37 2jgn s GLY 538 CO 0.02 -0.74 0.06 -2.27 0.00 0.00 0.00 173.10 170.18 2jgn s LEU 539 N -5.35 0.44 -0.18 0.66 2.96 -1.24 -0.40 118.68 115.57 2jgn s LEU 539 Ca 0.66 0.10 -0.00 0.00 -0.22 0.00 0.00 54.13 54.67 2jgn s LEU 539 Cb -0.07 -0.05 0.04 0.00 0.50 0.00 0.00 46.19 46.61 2jgn s LEU 539 CO 0.46 -0.21 -0.07 0.00 -1.32 0.00 0.00 176.35 175.21 2jgn s ALA 540 N 1.79 1.67 -0.11 5.97 0.00 0.33 -1.14 121.76 130.26 2jgn s ALA 540 Ca -0.00 -0.96 -0.02 0.00 0.00 0.00 0.00 51.96 50.98 2jgn s ALA 540 Cb -0.12 -1.17 -0.03 0.00 0.00 0.00 0.00 23.12 21.79 2jgn s ALA 540 CO -0.03 -0.78 -0.04 0.99 0.00 0.00 0.00 175.76 175.90 2jgn s THR 541 N 1.55 3.95 -0.05 0.00 2.01 0.79 -0.78 115.64 123.12 2jgn s THR 541 Ca 0.00 -0.36 0.03 0.00 0.31 0.00 0.00 61.69 61.67 2jgn s THR 541 Cb -0.15 -2.68 0.01 0.00 0.01 0.00 0.00 72.50 69.68 2jgn s THR 541 CO -0.08 0.55 -0.11 -0.44 -0.69 0.00 0.00 174.62 173.85 2jgn s SER 542 N -0.29 1.56 -0.07 3.53 0.01 0.40 -0.20 113.70 118.63 2jgn s SER 542 Ca 0.05 -0.25 -0.16 0.00 1.31 0.00 0.00 55.95 56.90 2jgn s SER 542 Cb -0.12 -0.57 -0.05 0.00 0.21 0.00 0.00 66.02 65.48 2jgn s SER 542 CO 0.02 0.06 0.41 -0.36 0.41 0.00 0.00 173.24 173.78 2jgn s PHE 543 N 0.41 3.60 -0.01 2.43 0.08 0.23 -0.98 117.98 123.74 2jgn s PHE 543 Ca -0.08 0.87 0.03 0.00 0.12 0.00 0.00 56.93 57.87 2jgn s PHE 543 Cb -0.12 -2.39 -0.01 0.00 -0.57 0.00 0.00 43.02 39.93 2jgn s PHE 543 CO 0.02 0.40 -0.09 0.12 -0.10 0.00 0.00 175.22 175.57 2jgn s PHE 544 N -0.17 0.81 0.00 0.36 5.36 -0.10 -4.35 117.98 119.89 2jgn s PHE 544 Ca 0.23 -0.15 0.00 0.00 -0.96 0.00 0.00 56.93 56.05 2jgn s PHE 544 Cb -0.15 -0.52 0.00 0.00 -0.34 0.00 0.00 43.02 42.01 2jgn s PHE 544 CO 0.10 -0.02 0.00 0.27 -1.46 0.00 0.00 175.22 174.12 2jgn n ASN 545 N 2.87 0.00 0.31 6.13 0.23 -1.26 0.36 115.26 123.90 2jgn n ASN 545 Ca -0.14 -0.81 0.18 0.00 -0.53 0.00 0.00 54.58 53.29 2jgn n ASN 545 Cb 0.57 0.00 1.03 0.00 -2.08 0.00 0.00 39.78 39.30 2jgn n ASN 545 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 2jgn h GLU 546 N 0.00 0.00 0.00 -3.83 4.39 -2.01 0.83 114.58 113.96 2jgn h GLU 546 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2jgn h GLU 546 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2jgn h GLU 546 CO 0.00 0.00 0.07 0.00 -1.16 0.00 0.00 179.01 177.92 2jgn h ARG 547 N 0.00 0.00 -0.27 2.33 3.08 -1.99 -3.04 114.38 114.49 2jgn h ARG 547 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2jgn h ARG 547 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.07 2jgn h ARG 547 CO -0.00 0.00 0.00 0.09 -1.07 0.00 0.00 179.97 178.99 2jgn n ASN 548 N -2.51 3.13 -0.36 7.04 4.13 0.29 -4.62 115.26 122.36 2jgn n ASN 548 Ca -0.02 -2.37 0.28 0.00 1.68 0.00 0.00 54.58 54.15 2jgn n ASN 548 Cb 0.12 -0.32 0.57 0.00 -1.54 0.00 0.00 39.78 38.61 2jgn n ASN 548 CO 0.00 0.00 0.00 0.40 0.28 0.00 0.00 177.26 177.94 2jgn h ILE 549 N 1.69 0.38 0.00 2.41 1.08 -1.68 -1.37 117.51 120.03 2jgn h ILE 549 Ca 0.00 -0.09 -0.00 0.00 -0.39 0.00 0.00 64.86 64.38 2jgn h ILE 549 Cb 0.95 0.10 -0.00 0.00 -3.07 0.00 0.00 36.82 34.80 2jgn h ILE 549 CO 0.07 0.05 -0.01 -0.55 -0.69 0.00 0.00 178.15 177.02 2jgn h ASN 550 N 0.26 0.00 -0.21 1.72 7.08 -1.87 -1.98 115.58 120.58 2jgn h ASN 550 Ca 0.67 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.89 2jgn h ASN 550 Cb 1.92 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 38.16 2jgn h ASN 550 CO -0.31 0.01 0.00 0.00 -2.08 0.00 0.00 177.43 175.05 2jgn n ILE 551 N -3.66 0.32 0.05 6.14 3.06 -0.52 -4.76 119.36 119.99 2jgn n ILE 551 Ca -0.03 -0.66 -0.11 0.00 -2.50 0.00 0.00 62.75 59.45 2jgn n ILE 551 Cb 0.10 1.11 -0.04 0.00 0.54 0.00 0.00 39.64 41.35 2jgn n ILE 551 CO 0.00 0.00 0.00 0.74 -2.50 0.00 0.00 176.55 174.79 2jgn h THR 552 N 3.70 0.53 -0.22 9.51 2.02 -1.37 -0.21 112.91 126.87 2jgn h THR 552 Ca 0.00 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 2jgn h THR 552 Cb 0.84 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 67.77 2jgn h THR 552 CO 0.00 0.00 0.05 0.11 0.37 0.00 0.00 175.52 176.05 2jgn h LYS 553 N -0.31 0.36 -0.16 6.66 1.57 -1.86 0.13 116.57 122.97 2jgn h LYS 553 Ca 0.06 -0.09 -0.14 0.00 -1.87 0.00 0.00 60.65 58.61 2jgn h LYS 553 Cb 0.39 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 2jgn h LYS 553 CO -0.19 0.49 -0.49 -0.44 -0.57 0.00 0.00 179.45 178.25 2jgn h ASP 554 N 0.18 0.46 0.10 0.86 3.32 -1.86 -0.98 116.42 118.49 2jgn h ASP 554 Ca 0.07 -0.23 -0.00 0.00 0.02 0.00 0.00 57.03 56.89 2jgn h ASP 554 Cb 0.29 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.71 2jgn h ASP 554 CO 0.00 0.88 -0.05 0.25 -1.72 0.00 0.00 179.24 178.60 2jgn h LEU 555 N 0.33 -0.11 -0.39 1.55 5.85 -0.91 -2.24 115.31 119.38 2jgn h LEU 555 Ca 0.02 -0.18 0.08 0.00 0.84 0.00 0.00 57.88 58.64 2jgn h LEU 555 Cb 0.99 0.03 -0.09 0.00 0.37 0.00 0.00 40.66 41.96 2jgn h LEU 555 CO 0.09 0.12 -0.26 0.25 -0.34 0.00 0.00 178.44 178.29 2jgn h LEU 556 N -0.35 -0.87 -1.26 2.25 5.85 -0.65 -1.63 115.31 118.64 2jgn h LEU 556 Ca -0.01 0.17 0.02 0.00 0.84 0.00 0.00 57.88 58.90 2jgn h LEU 556 Cb 0.29 0.43 -0.04 0.00 0.37 0.00 0.00 40.66 41.71 2jgn h LEU 556 CO 0.02 -0.28 0.50 0.44 -0.34 0.00 0.00 178.44 178.79 2jgn h ASP 557 N -0.19 0.85 -0.19 1.25 3.32 -1.15 -1.88 116.42 118.42 2jgn h ASP 557 Ca 0.19 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.18 2jgn h ASP 557 Cb 0.49 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 2jgn h ASP 557 CO -0.51 0.60 -0.01 0.25 -1.72 0.00 0.00 179.24 177.86 2jgn h LEU 558 N 1.00 0.34 -0.82 1.55 6.46 -0.97 -0.62 115.31 122.25 2jgn h LEU 558 Ca 0.29 -0.32 0.01 0.00 -0.12 0.00 0.00 57.88 57.74 2jgn h LEU 558 Cb -0.06 -0.09 -0.04 0.00 -0.73 0.00 0.00 40.66 39.74 2jgn h LEU 558 CO -0.07 0.58 0.54 -0.07 -0.62 0.00 0.00 178.44 178.80 2jgn h LEU 559 N 0.10 0.93 -0.37 2.25 3.38 -0.98 -1.31 115.31 119.31 2jgn h LEU 559 Ca 0.05 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.90 2jgn h LEU 559 Cb 0.41 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 2jgn h LEU 559 CO 0.01 0.66 -0.17 0.58 0.09 0.00 0.00 178.44 179.62 2jgn h VAL 560 N 1.09 1.28 -0.09 1.22 2.07 -1.22 -0.74 116.25 119.87 2jgn h VAL 560 Ca 0.31 -1.29 -0.11 0.00 0.82 0.00 0.00 66.70 66.43 2jgn h VAL 560 Cb -0.09 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 2jgn h VAL 560 CO -0.08 0.43 -0.45 -0.33 0.02 0.00 0.00 177.57 177.16 2jgn h GLU 561 N 0.57 0.21 -0.17 1.57 4.39 -0.93 -2.44 114.58 117.77 2jgn h GLU 561 Ca 0.08 -0.10 0.00 0.00 0.34 0.00 0.00 59.36 59.68 2jgn h GLU 561 Cb 0.71 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.36 2jgn h GLU 561 CO 0.05 0.62 0.00 0.00 -1.16 0.00 0.00 179.01 178.52 2jgn n ALA 562 N -2.47 2.50 -4.00 3.43 0.00 -0.51 -4.93 120.51 114.53 2jgn n ALA 562 Ca -0.02 -0.36 -0.31 0.00 0.00 0.00 0.00 53.44 52.75 2jgn n ALA 562 Cb 0.50 -1.04 0.01 0.00 0.00 0.00 0.00 19.45 18.91 2jgn n ALA 562 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2jgn n LYS 563 N 0.03 -4.72 -3.06 0.00 5.02 -0.72 -5.00 118.16 109.71 2jgn n LYS 563 Ca 0.10 0.52 -0.21 0.00 -2.02 0.00 0.00 58.31 56.70 2jgn n LYS 563 Cb 0.19 -5.32 0.01 0.00 -0.02 0.00 0.00 35.03 29.89 2jgn n LYS 563 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2jgn s GLN 564 N -6.68 2.95 0.30 1.97 -1.52 -0.36 -5.05 119.66 111.27 2jgn s GLN 564 Ca 0.63 -0.77 -0.29 0.00 -1.95 0.00 0.00 55.36 52.98 2jgn s GLN 564 Cb -0.33 -2.64 -0.10 0.00 -0.22 0.00 0.00 33.01 29.72 2jgn s GLN 564 CO 0.86 -0.26 1.35 -2.00 -0.25 0.00 0.00 175.29 174.99 2jgn s GLU 565 N -4.47 4.32 -0.25 2.91 2.12 -1.26 -4.68 118.70 117.39 2jgn s GLU 565 Ca 0.50 2.24 -0.01 0.00 0.36 0.00 0.00 54.97 58.06 2jgn s GLU 565 Cb -0.10 -3.09 0.03 0.00 0.26 0.00 0.00 34.13 31.23 2jgn s GLU 565 CO 0.36 -0.27 -0.06 0.08 -0.54 0.00 0.00 175.26 174.83 2jgn s VAL 566 N -0.74 2.84 0.37 3.70 1.01 -1.26 -4.84 120.40 121.47 2jgn s VAL 566 Ca 0.52 -1.06 -0.28 0.00 0.00 0.00 0.00 61.98 61.16 2jgn s VAL 566 Cb -0.40 -2.46 -0.11 0.00 0.00 0.00 0.00 36.38 33.41 2jgn s VAL 566 CO 0.50 0.18 1.50 -2.65 0.00 0.00 0.00 175.10 174.63 2jgn n PRO 567 N 4.66 2.67 -0.36 2.72 -0.02 -1.26 -4.90 135.00 138.51 2jgn n PRO 567 Ca -0.16 0.94 0.03 0.00 -2.02 0.00 0.00 63.50 62.29 2jgn n PRO 567 Cb 0.47 -2.67 0.18 0.00 -0.02 0.00 0.00 33.50 31.45 2jgn n PRO 567 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2jgn h SER 568 N 3.20 0.98 -0.16 2.55 0.87 -1.99 -1.71 113.55 117.29 2jgn h SER 568 Ca -0.50 0.02 -0.05 0.00 -1.23 0.00 0.00 61.79 60.03 2jgn h SER 568 Cb 1.24 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 63.00 2jgn h SER 568 CO 0.66 0.60 -0.04 4.11 -0.53 0.00 0.00 176.83 181.63 2jgn h TRP 569 N 1.10 0.47 -0.15 2.24 5.08 -1.99 -1.53 115.95 121.17 2jgn h TRP 569 Ca 0.43 -0.05 -0.01 0.00 1.08 0.00 0.00 58.89 60.34 2jgn h TRP 569 Cb 0.23 -0.14 -0.01 0.00 -3.00 0.00 0.00 29.16 26.25 2jgn h TRP 569 CO -0.01 0.50 0.04 1.25 -1.28 0.00 0.00 178.44 178.95 2jgn h LEU 570 N 0.43 0.23 -0.97 0.11 5.85 -1.68 -1.73 115.31 117.55 2jgn h LEU 570 Ca 0.09 -0.21 -0.05 0.00 0.84 0.00 0.00 57.88 58.55 2jgn h LEU 570 Cb 0.35 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 2jgn h LEU 570 CO 0.01 0.38 0.22 -0.33 -0.34 0.00 0.00 178.44 178.38 2jgn h GLU 571 N 0.06 0.96 0.02 1.25 5.08 -1.32 -0.76 114.58 119.88 2jgn h GLU 571 Ca 0.05 -0.18 -0.00 0.00 -1.00 0.00 0.00 59.36 58.23 2jgn h GLU 571 Cb 0.24 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.33 2jgn h GLU 571 CO -0.00 0.81 -0.01 -0.97 -1.00 0.00 0.00 179.01 177.84 2jgn h ASN 572 N 0.94 -0.02 -0.33 1.42 -0.73 -1.14 -1.11 115.58 114.60 2jgn h ASN 572 Ca 0.21 -0.02 -0.10 0.00 1.87 0.00 0.00 56.30 58.26 2jgn h ASN 572 Cb 0.24 0.01 -0.02 0.00 0.27 0.00 0.00 38.32 38.82 2jgn h ASN 572 CO -0.01 0.01 -0.13 0.24 -0.37 0.00 0.00 177.43 177.16 2jgn h MET 573 N -0.05 0.78 -0.66 6.67 0.00 -1.13 -2.21 114.93 118.32 2jgn h MET 573 Ca -0.00 -0.27 -0.03 0.00 0.00 0.00 0.00 59.70 59.40 2jgn h MET 573 Cb 0.04 -0.06 -0.03 0.00 0.00 0.00 0.00 31.60 31.55 2jgn h MET 573 CO 0.00 0.87 0.30 0.00 0.00 0.00 0.00 176.91 178.09 2jgn h ALA 574 N 1.15 1.27 0.00 6.32 0.00 -1.08 -3.48 119.26 123.44 2jgn h ALA 574 Ca 0.11 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2jgn h ALA 574 Cb 0.62 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2jgn h ALA 574 CO 0.04 0.55 0.00 0.66 0.00 0.00 0.00 179.25 180.50