#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d1k s PRO 402 N 0.00 3.96 0.33 -2.82 0.04 -1.26 -4.82 135.00 130.43 1d1k s PRO 402 Ca 0.00 1.43 -0.29 0.00 0.04 0.00 0.00 61.00 62.18 1d1k s PRO 402 Cb 0.00 -2.29 -0.11 0.00 0.04 0.00 0.00 34.50 32.14 1d1k s PRO 402 CO 0.00 -0.31 1.44 -0.51 0.04 0.00 0.00 177.00 177.67 1d1k s ASP 403 N -1.79 6.52 -0.10 6.66 1.01 -1.26 -2.03 116.67 125.68 1d1k s ASP 403 Ca 0.63 2.87 -0.11 0.00 0.71 0.00 0.00 52.55 56.64 1d1k s ASP 403 Cb -0.19 -2.65 -0.04 0.00 1.01 0.00 0.00 42.92 41.05 1d1k s ASP 403 CO 0.23 -0.75 -0.23 0.00 0.21 0.00 0.00 175.17 174.63 1d1k s VAL 405 N -2.56 0.14 -0.01 0.00 -7.23 -1.15 -5.02 120.40 104.58 1d1k s VAL 405 Ca -0.20 -1.13 0.01 0.00 -1.81 0.00 0.00 61.98 58.86 1d1k s VAL 405 Cb 0.04 -0.69 0.00 0.00 0.56 0.00 0.00 36.38 36.29 1d1k s VAL 405 CO 0.28 -0.62 -0.04 -0.89 -0.31 0.00 0.00 175.10 173.52 1d1k s THR 406 N -2.24 0.34 -5.00 5.32 2.01 -1.26 -1.10 115.64 113.70 1d1k s THR 406 Ca -0.08 -0.16 0.00 0.00 0.31 0.00 0.00 61.69 61.76 1d1k s THR 406 Cb -0.04 -0.30 0.00 0.00 0.01 0.00 0.00 72.50 72.17 1d1k s THR 406 CO -0.04 0.11 0.00 0.61 -0.69 0.00 0.00 174.62 174.61 1d1k n GLY 407 N 3.11 -1.05 3.89 4.40 0.00 -0.28 -4.62 105.19 110.64 1d1k n GLY 407 Ca -0.14 -1.40 -0.30 0.00 0.00 0.00 0.00 46.02 44.17 1d1k n GLY 407 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1d1k s LYS 408 N -1.96 3.73 -0.28 1.61 1.02 -1.26 -0.67 119.74 121.93 1d1k s LYS 408 Ca 0.00 0.19 -0.29 0.00 0.02 0.00 0.00 55.97 55.89 1d1k s LYS 408 Cb 0.00 -2.62 -0.01 0.00 -0.52 0.00 0.00 37.83 34.68 1d1k s LYS 408 CO 0.00 0.23 1.51 0.08 -0.92 0.00 0.00 175.35 176.26 1d1k s VAL 409 N -1.99 3.83 0.08 3.17 1.01 -1.26 -4.38 120.40 120.86 1d1k s VAL 409 Ca 0.46 0.92 -0.16 0.00 0.00 0.00 0.00 61.98 63.21 1d1k s VAL 409 Cb -0.11 -3.90 -0.12 0.00 0.00 0.00 0.00 36.38 32.25 1d1k s VAL 409 CO 0.26 -0.42 1.36 -0.33 0.00 0.00 0.00 175.10 175.97 1d1k h GLU 410 N 10.49 0.62 -2.02 2.72 5.08 -1.29 -3.47 114.58 126.72 1d1k h GLU 410 Ca -0.31 -0.38 0.15 0.00 -1.00 0.00 0.00 59.36 57.83 1d1k h GLU 410 Cb 1.13 0.04 -0.16 0.00 0.50 0.00 0.00 28.75 30.25 1d1k h GLU 410 CO 1.02 0.99 0.60 1.52 -1.00 0.00 0.00 179.01 182.14 1d1k s TYR 411 N -4.15 -0.28 0.21 4.33 -0.85 -1.25 -5.01 117.35 110.35 1d1k s TYR 411 Ca -0.13 0.17 0.08 0.00 -0.52 0.00 0.00 57.07 56.68 1d1k s TYR 411 Cb 0.07 0.53 -0.05 0.00 0.38 0.00 0.00 41.96 42.90 1d1k s TYR 411 CO 0.82 -0.43 -0.16 0.95 -1.52 0.00 0.00 175.55 175.21 1d1k s THR 412 N -2.88 1.84 -0.11 -3.49 -4.23 -1.26 -1.49 115.64 104.01 1d1k s THR 412 Ca 0.06 -2.20 -0.05 0.00 -1.18 0.00 0.00 61.69 58.32 1d1k s THR 412 Cb -0.01 -2.05 0.05 0.00 1.34 0.00 0.00 72.50 71.83 1d1k s THR 412 CO -0.08 -0.54 0.26 -0.75 -0.54 0.00 0.00 174.62 172.97 1d1k s LYS 413 N -3.53 0.20 -0.10 3.99 2.20 0.31 -4.98 119.74 117.83 1d1k s LYS 413 Ca 0.23 0.60 -0.21 0.00 -0.36 0.00 0.00 55.97 56.22 1d1k s LYS 413 Cb -0.02 -0.10 -0.04 0.00 -1.51 0.00 0.00 37.83 36.17 1d1k s LYS 413 CO 0.08 -0.19 0.62 -0.47 -0.36 0.00 0.00 175.35 175.03 1d1k s TYR 414 N 1.55 3.53 0.23 4.03 6.14 -1.26 -0.30 117.35 131.27 1d1k s TYR 414 Ca -0.07 1.09 0.05 0.00 0.64 0.00 0.00 57.07 58.79 1d1k s TYR 414 Cb -0.11 -2.73 -0.03 0.00 0.42 0.00 0.00 41.96 39.51 1d1k s TYR 414 CO -0.09 0.07 0.30 -0.80 0.64 0.00 0.00 175.55 175.68 1d1k s ASN 415 N 0.81 6.10 0.48 4.32 0.01 -0.63 -4.99 114.94 121.04 1d1k s ASN 415 Ca 0.33 -0.01 0.14 0.00 -0.71 0.00 0.00 52.86 52.61 1d1k s ASN 415 Cb -0.17 -1.74 1.13 0.00 0.41 0.00 0.00 41.25 40.89 1d1k s ASN 415 CO 0.14 -0.05 2.10 -0.78 -1.51 0.00 0.00 177.10 177.01 1d1k h ASP 416 N 1.39 0.18 -0.20 -1.22 3.58 -1.97 -2.12 116.42 116.05 1d1k h ASP 416 Ca -0.51 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.94 1d1k h ASP 416 Cb 1.23 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 42.24 1d1k h ASP 416 CO 0.62 0.12 0.00 -1.84 -2.88 0.00 0.00 179.24 175.26 1d1k n GLU 417 N -4.50 2.28 -1.36 0.28 0.00 -1.26 -4.87 120.64 111.20 1d1k n GLU 417 Ca 0.01 -1.06 -0.12 0.00 0.00 0.00 0.00 57.16 55.99 1d1k n GLU 417 Cb 0.14 -1.73 -0.05 0.00 0.00 0.00 0.00 31.44 29.80 1d1k n GLU 417 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1d1k n ASP 418 N 0.21 -4.73 -4.99 -1.84 8.00 -0.80 -5.02 116.55 107.39 1d1k n ASP 418 Ca 0.09 0.31 -0.20 0.00 0.71 0.00 0.00 54.79 55.71 1d1k n ASP 418 Cb 0.55 -3.33 0.02 0.00 -0.02 0.00 0.00 41.12 38.34 1d1k n ASP 418 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1d1k s THR 419 N -2.39 3.09 -0.10 -3.53 -4.23 -1.26 -4.89 115.64 102.34 1d1k s THR 419 Ca 0.00 -0.80 0.01 0.00 -1.18 0.00 0.00 61.69 59.72 1d1k s THR 419 Cb 0.00 -3.10 0.02 0.00 1.34 0.00 0.00 72.50 70.76 1d1k s THR 419 CO 0.00 -0.06 -0.12 0.12 -0.54 0.00 0.00 174.62 174.02 1d1k s PHE 420 N -2.53 1.73 -0.12 3.99 5.36 -0.51 -1.61 117.98 124.30 1d1k s PHE 420 Ca 0.54 -0.82 -0.06 0.00 -0.96 0.00 0.00 56.93 55.64 1d1k s PHE 420 Cb -0.10 -1.30 -0.04 0.00 -0.34 0.00 0.00 43.02 41.24 1d1k s PHE 420 CO 0.36 -0.46 0.10 0.99 -1.46 0.00 0.00 175.22 174.74 1d1k s THR 421 N 1.18 5.12 0.00 0.12 2.01 0.59 -1.07 115.64 123.60 1d1k s THR 421 Ca -0.04 0.06 0.05 0.00 0.31 0.00 0.00 61.69 62.07 1d1k s THR 421 Cb -0.14 -3.22 -0.01 0.00 0.01 0.00 0.00 72.50 69.14 1d1k s THR 421 CO -0.03 0.60 -0.15 0.68 -0.69 0.00 0.00 174.62 175.03 1d1k s VAL 422 N -0.88 1.16 -0.31 3.82 -7.23 0.15 -0.53 120.40 116.57 1d1k s VAL 422 Ca 0.14 -0.72 -0.05 0.00 -1.81 0.00 0.00 61.98 59.54 1d1k s VAL 422 Cb -0.12 -0.98 0.04 0.00 0.56 0.00 0.00 36.38 35.88 1d1k s VAL 422 CO 0.03 0.25 0.06 -0.75 -0.31 0.00 0.00 175.10 174.38 1d1k s LYS 423 N -0.54 2.64 -0.08 4.82 2.47 -0.56 -0.46 119.74 128.03 1d1k s LYS 423 Ca 0.05 -1.15 0.01 0.00 -1.56 0.00 0.00 55.97 53.32 1d1k s LYS 423 Cb -0.06 -3.33 0.02 0.00 -1.46 0.00 0.00 37.83 33.00 1d1k s LYS 423 CO -0.00 -0.60 -0.09 0.08 0.16 0.00 0.00 175.35 174.89 1d1k s VAL 424 N 1.36 1.00 0.00 4.02 1.01 -0.72 -0.66 120.40 126.43 1d1k s VAL 424 Ca -0.02 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 61.61 1d1k s VAL 424 Cb -0.19 -0.97 0.00 0.00 0.00 0.00 0.00 36.38 35.22 1d1k s VAL 424 CO 0.01 0.34 0.00 0.61 0.00 0.00 0.00 175.10 176.06 1d1k n GLY 425 N 4.27 2.74 0.86 4.51 0.00 -1.26 -2.44 105.19 113.87 1d1k n GLY 425 Ca -0.19 -0.26 0.09 0.00 0.00 0.00 0.00 46.02 45.66 1d1k n GLY 425 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1d1k n ASP 426 N 7.54 2.96 -4.52 1.61 5.75 -1.26 -4.99 116.55 123.64 1d1k n ASP 426 Ca 0.00 -1.86 -0.31 0.00 -0.01 0.00 0.00 54.79 52.61 1d1k n ASP 426 Cb 0.00 -0.17 -0.11 0.00 -1.03 0.00 0.00 41.12 39.80 1d1k n ASP 426 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1d1k s LYS 427 N -1.26 2.18 -0.26 0.11 -0.14 -1.02 -4.94 119.74 114.42 1d1k s LYS 427 Ca 0.29 -0.94 -0.04 0.00 -1.36 0.00 0.00 55.97 53.92 1d1k s LYS 427 Cb 0.17 -2.29 0.01 0.00 -1.68 0.00 0.00 37.83 34.05 1d1k s LYS 427 CO 0.24 0.54 -0.01 -2.00 -0.76 0.00 0.00 175.35 173.36 1d1k s GLU 428 N -1.65 3.02 0.17 1.68 2.12 -1.26 -1.75 118.70 121.03 1d1k s GLU 428 Ca 0.17 -0.87 0.10 0.00 0.36 0.00 0.00 54.97 54.72 1d1k s GLU 428 Cb -0.11 -3.12 -0.04 0.00 0.26 0.00 0.00 34.13 31.12 1d1k s GLU 428 CO 0.08 -0.38 -0.21 -0.51 -0.54 0.00 0.00 175.26 173.70 1d1k s LEU 429 N 1.41 2.42 0.25 2.70 1.43 0.39 -0.54 118.68 126.73 1d1k s LEU 429 Ca 0.02 -0.84 0.10 0.00 -1.03 0.00 0.00 54.13 52.38 1d1k s LEU 429 Cb -0.16 -0.98 -0.05 0.00 0.03 0.00 0.00 46.19 45.03 1d1k s LEU 429 CO -0.02 0.04 -0.18 0.72 0.23 0.00 0.00 176.35 177.15 1d1k s PHE 430 N -1.78 2.04 0.00 0.29 -0.71 -0.17 0.32 117.98 117.98 1d1k s PHE 430 Ca 0.17 -0.44 0.00 0.00 -1.04 0.00 0.00 56.93 55.62 1d1k s PHE 430 Cb -0.07 -0.91 -0.00 0.00 -1.21 0.00 0.00 43.02 40.83 1d1k s PHE 430 CO 0.08 0.56 -0.01 -0.08 -1.34 0.00 0.00 175.22 174.43 1d1k s THR 431 N -2.69 0.03 -2.18 -4.49 -1.32 -0.23 -0.75 115.64 104.01 1d1k s THR 431 Ca 0.26 -0.19 0.22 0.00 -1.21 0.00 0.00 61.69 60.77 1d1k s THR 431 Cb -0.03 -0.07 0.53 0.00 -1.51 0.00 0.00 72.50 71.42 1d1k s THR 431 CO 0.11 -0.10 1.47 -0.46 -2.21 0.00 0.00 174.62 173.43 1d1k n ASN 432 N 2.77 3.45 -4.49 8.08 0.23 -1.26 -1.42 115.26 122.61 1d1k n ASN 432 Ca -0.14 -1.98 -0.43 0.00 -0.53 0.00 0.00 54.58 51.49 1d1k n ASN 432 Cb 0.59 -0.36 -0.05 0.00 -2.08 0.00 0.00 39.78 37.88 1d1k n ASN 432 CO 0.00 0.00 0.00 -0.13 -0.93 0.00 0.00 177.26 176.20 1d1k s ARG 433 N -1.28 3.24 0.32 -3.83 1.81 -1.26 -4.93 118.95 113.03 1d1k s ARG 433 Ca 0.42 -0.53 0.06 0.00 -1.72 0.00 0.00 55.73 53.96 1d1k s ARG 433 Cb 0.23 -4.10 0.71 0.00 -0.45 0.00 0.00 34.95 31.35 1d1k s ARG 433 CO 0.31 -1.48 1.85 0.00 -0.68 0.00 0.00 175.30 175.29 1d1k h ALA 434 N 9.28 1.70 0.00 2.13 0.00 -1.90 -2.02 119.26 128.46 1d1k h ALA 434 Ca -0.27 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 1d1k h ALA 434 Cb 1.08 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 1d1k h ALA 434 CO 1.08 0.04 -0.00 -0.91 0.00 0.00 0.00 179.25 179.45 1d1k h ASN 435 N 0.81 0.00 1.32 0.00 2.35 -2.01 -2.26 115.58 115.80 1d1k h ASN 435 Ca 0.48 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.23 1d1k h ASN 435 Cb 0.66 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.03 1d1k h ASN 435 CO -0.25 0.00 0.00 -0.07 -1.65 0.00 0.00 177.43 175.47 1d1k h LEU 436 N 0.00 0.00 0.54 1.61 3.38 -1.78 -3.36 115.31 115.69 1d1k h LEU 436 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1d1k h LEU 436 Cb 0.01 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 1d1k h LEU 436 CO 0.00 0.00 -0.29 1.56 0.09 0.00 0.00 178.44 179.80 1d1k h GLN 437 N 0.00 -0.74 -0.36 1.13 4.20 -1.53 -0.27 115.11 117.54 1d1k h GLN 437 Ca 0.00 0.05 -0.10 0.00 0.06 0.00 0.00 58.65 58.66 1d1k h GLN 437 Cb 0.66 0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.59 1d1k h GLN 437 CO 0.00 -0.50 -0.18 0.66 -0.67 0.00 0.00 178.83 178.14 1d1k h SER 438 N -0.77 0.67 -0.35 1.46 4.64 -1.78 -2.30 113.55 115.12 1d1k h SER 438 Ca -0.07 -0.22 -0.01 0.00 -0.47 0.00 0.00 61.79 61.02 1d1k h SER 438 Cb 0.61 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 62.50 1d1k h SER 438 CO 0.09 0.86 0.18 -0.07 -0.87 0.00 0.00 176.83 177.03 1d1k h LEU 439 N 0.60 0.45 -0.49 5.97 3.38 -1.68 -1.07 115.31 122.47 1d1k h LEU 439 Ca 0.09 -0.10 -0.12 0.00 0.09 0.00 0.00 57.88 57.84 1d1k h LEU 439 Cb 0.65 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1d1k h LEU 439 CO 0.05 0.43 -0.17 -0.07 0.09 0.00 0.00 178.44 178.76 1d1k h LEU 440 N 0.44 1.00 -0.89 1.67 3.38 -0.95 -1.59 115.31 118.37 1d1k h LEU 440 Ca 0.12 -0.38 -0.07 0.00 0.09 0.00 0.00 57.88 57.64 1d1k h LEU 440 Cb 0.09 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1d1k h LEU 440 CO -0.02 1.16 0.06 0.25 0.09 0.00 0.00 178.44 179.98 1d1k h LEU 441 N 0.84 0.84 -0.62 1.67 5.85 -1.32 -0.76 115.31 121.81 1d1k h LEU 441 Ca 0.12 -0.19 -0.04 0.00 0.84 0.00 0.00 57.88 58.61 1d1k h LEU 441 Cb 0.75 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.53 1d1k h LEU 441 CO 0.06 0.87 0.23 0.28 -0.34 0.00 0.00 178.44 179.54 1d1k h SER 442 N 0.84 0.87 -0.57 1.25 0.02 -0.95 -0.54 113.55 114.47 1d1k h SER 442 Ca 0.17 -0.18 -0.06 0.00 -0.84 0.00 0.00 61.79 60.88 1d1k h SER 442 Cb 0.41 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.69 1d1k h SER 442 CO 0.01 0.82 0.14 0.00 -1.14 0.00 0.00 176.83 176.65 1d1k h ALA 443 N 1.09 1.09 -0.11 3.77 0.00 -1.00 -1.44 119.26 122.66 1d1k h ALA 443 Ca 0.20 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1d1k h ALA 443 Cb 0.23 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1d1k h ALA 443 CO -0.01 0.60 0.02 0.37 0.00 0.00 0.00 179.25 180.23 1d1k h GLN 444 N 0.91 0.17 -0.59 0.00 4.15 -0.66 -0.49 115.11 118.61 1d1k h GLN 444 Ca 0.19 -0.04 -0.03 0.00 0.77 0.00 0.00 58.65 59.55 1d1k h GLN 444 Cb 0.34 -0.02 -0.03 0.00 0.21 0.00 0.00 27.48 27.99 1d1k h GLN 444 CO 0.00 0.35 0.27 0.82 -1.93 0.00 0.00 178.83 178.34 1d1k h ILE 445 N -0.04 1.21 -0.01 2.39 2.04 -0.93 -2.96 117.51 119.22 1d1k h ILE 445 Ca 0.03 -0.62 0.00 0.00 1.00 0.00 0.00 64.86 65.27 1d1k h ILE 445 Cb 0.26 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 36.88 1d1k h ILE 445 CO 0.00 0.25 -0.01 0.35 0.00 0.00 0.00 178.15 178.74 1d1k n THR 446 N -4.52 0.00 -2.22 -0.27 -2.24 -0.56 -4.94 114.28 99.53 1d1k n THR 446 Ca 0.03 -0.15 -0.11 0.00 -2.27 0.00 0.00 64.05 61.55 1d1k n THR 446 Cb 0.13 0.13 -0.00 0.00 -2.10 0.00 0.00 70.33 68.49 1d1k n THR 446 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1d1k n GLY 447 N 1.13 -0.08 3.77 3.38 0.00 -0.76 -5.01 105.19 107.61 1d1k n GLY 447 Ca 0.20 -0.42 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 1d1k n GLY 447 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1d1k s MET 448 N -4.56 2.83 -0.17 1.61 -1.94 -0.27 -4.99 119.30 111.81 1d1k s MET 448 Ca 0.00 1.44 -0.20 0.00 -1.71 0.00 0.00 55.69 55.23 1d1k s MET 448 Cb -0.00 -1.95 -0.03 0.00 2.01 0.00 0.00 34.83 34.86 1d1k s MET 448 CO 0.01 -1.23 0.60 0.99 -0.01 0.00 0.00 175.02 175.37 1d1k s THR 449 N -2.24 5.06 -0.01 2.05 2.01 -0.48 -4.40 115.64 117.63 1d1k s THR 449 Ca 0.68 1.14 0.04 0.00 0.31 0.00 0.00 61.69 63.86 1d1k s THR 449 Cb -0.22 -3.92 -0.03 0.00 0.01 0.00 0.00 72.50 68.34 1d1k s THR 449 CO 0.40 0.16 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.70 1d1k s VAL 450 N 1.58 3.40 -0.16 3.82 1.01 0.15 -1.04 120.40 129.16 1d1k s VAL 450 Ca 0.28 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.47 1d1k s VAL 450 Cb -0.16 -2.43 0.03 0.00 0.00 0.00 0.00 36.38 33.82 1d1k s VAL 450 CO 0.11 0.45 -0.10 -0.89 0.00 0.00 0.00 175.10 174.67 1d1k s THR 451 N -0.91 1.43 -0.22 3.92 2.01 -0.51 -1.12 115.64 120.23 1d1k s THR 451 Ca 0.15 -0.71 -0.09 0.00 0.31 0.00 0.00 61.69 61.35 1d1k s THR 451 Cb -0.11 -1.46 -0.04 0.00 0.01 0.00 0.00 72.50 70.90 1d1k s THR 451 CO 0.05 0.28 0.11 -0.63 -0.69 0.00 0.00 174.62 173.74 1d1k s ILE 452 N 1.52 4.99 -0.21 1.82 1.01 -0.26 -0.32 121.20 129.75 1d1k s ILE 452 Ca 0.02 0.05 -0.07 0.00 0.00 0.00 0.00 60.65 60.64 1d1k s ILE 452 Cb -0.14 -3.30 -0.04 0.00 0.01 0.00 0.00 42.46 38.99 1d1k s ILE 452 CO -0.09 0.39 0.07 -0.54 0.00 0.00 0.00 174.94 174.77 1d1k s LYS 453 N 0.88 3.84 -0.14 2.79 1.02 -0.65 -0.34 119.74 127.15 1d1k s LYS 453 Ca 0.06 -0.40 -0.30 0.00 0.02 0.00 0.00 55.97 55.35 1d1k s LYS 453 Cb -0.13 -3.28 0.10 0.00 -0.52 0.00 0.00 37.83 34.00 1d1k s LYS 453 CO 0.03 0.06 0.87 -0.08 -0.92 0.00 0.00 175.35 175.31 1d1k s THR 454 N 0.97 0.00 -0.37 2.17 -1.32 -0.86 -3.99 115.64 112.23 1d1k s THR 454 Ca 0.04 0.00 0.22 0.00 -1.21 0.00 0.00 61.69 60.74 1d1k s THR 454 Cb -0.14 -1.00 0.24 0.00 -1.51 0.00 0.00 72.50 70.09 1d1k s THR 454 CO 0.03 0.00 1.46 0.78 -2.21 0.00 0.00 174.62 174.68 1d1k h ASN 455 N 2.97 0.00 -1.42 8.08 -0.26 -1.86 -3.34 115.58 119.75 1d1k h ASN 455 Ca -0.23 0.00 -0.70 0.00 -0.56 0.00 0.00 56.30 54.81 1d1k h ASN 455 Cb 1.16 0.00 -0.18 0.00 -1.06 0.00 0.00 38.32 38.24 1d1k h ASN 455 CO 0.31 0.05 1.55 0.00 -1.06 0.00 0.00 177.43 178.27 1d1k n ALA 456 N -2.13 6.56 -2.62 -0.83 0.00 -1.26 -4.91 120.51 115.32 1d1k n ALA 456 Ca 0.03 -3.95 -0.43 0.00 0.00 0.00 0.00 53.44 49.09 1d1k n ALA 456 Cb 0.55 -2.44 -0.01 0.00 0.00 0.00 0.00 19.45 17.56 1d1k n ALA 456 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1d1k s HIS 458 N 4.05 -0.36 0.19 0.00 -3.43 -1.26 -5.06 115.29 109.41 1d1k s HIS 458 Ca 0.51 0.21 -0.33 0.00 -0.80 0.00 0.00 55.06 54.65 1d1k s HIS 458 Cb 0.02 0.55 -0.13 0.00 -1.43 0.00 0.00 32.58 31.60 1d1k s HIS 458 CO 0.04 -0.60 1.69 0.09 -2.00 0.00 0.00 174.74 173.96 1d1k n ASN 459 N -0.27 3.71 0.00 7.38 3.02 -1.26 -0.74 115.26 127.09 1d1k n ASN 459 Ca -0.10 1.06 0.00 0.00 -0.03 0.00 0.00 54.58 55.52 1d1k n ASN 459 Cb 0.62 -1.52 0.00 0.00 -0.61 0.00 0.00 39.78 38.27 1d1k n ASN 459 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1d1k n GLY 460 N 3.81 0.75 3.79 7.41 0.00 0.30 -4.98 105.19 116.26 1d1k n GLY 460 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 1d1k n GLY 460 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1d1k s GLY 461 N -1.55 2.52 0.23 -0.02 0.00 0.08 -4.72 107.32 103.85 1d1k s GLY 461 Ca 0.00 0.67 -0.02 0.00 0.00 0.00 0.00 44.72 45.37 1d1k s GLY 461 CO 0.00 1.00 0.45 -0.32 0.00 0.00 0.00 173.10 174.24 1d1k s GLY 462 N -1.98 1.83 0.15 0.20 0.00 -1.26 -1.00 107.32 105.27 1d1k s GLY 462 Ca 0.69 -0.72 -0.13 0.00 0.00 0.00 0.00 44.72 44.56 1d1k s GLY 462 CO 0.24 -0.65 0.37 -0.11 0.00 0.00 0.00 173.10 172.96 1d1k s PHE 463 N -1.94 0.06 0.00 1.90 -0.12 0.07 -4.53 117.98 113.42 1d1k s PHE 463 Ca 0.41 -0.41 0.00 0.00 -0.05 0.00 0.00 56.93 56.87 1d1k s PHE 463 Cb -0.11 0.16 0.00 0.00 -0.63 0.00 0.00 43.02 42.44 1d1k s PHE 463 CO 0.29 -0.75 0.00 -1.13 -0.05 0.00 0.00 175.22 173.58 1d1k n SER 464 N -0.24 0.00 -4.64 1.98 3.41 -1.26 -4.31 113.62 108.56 1d1k n SER 464 Ca -0.11 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.12 1d1k n SER 464 Cb 0.63 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.49 1d1k n SER 464 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1d1k s GLU 465 N -0.16 4.08 -0.01 4.33 2.02 -1.26 -5.07 118.70 122.64 1d1k s GLU 465 Ca 0.00 -0.04 0.00 0.00 0.02 0.00 0.00 54.97 54.96 1d1k s GLU 465 Cb 0.00 -3.58 0.01 0.00 0.10 0.00 0.00 34.13 30.66 1d1k s GLU 465 CO 0.00 -0.08 -0.00 0.08 0.02 0.00 0.00 175.26 175.28 1d1k s VAL 466 N 1.46 0.07 -0.16 2.63 1.01 -1.26 -1.63 120.40 122.52 1d1k s VAL 466 Ca 0.13 0.03 -0.04 0.00 0.00 0.00 0.00 61.98 62.10 1d1k s VAL 466 Cb -0.15 -0.11 -0.03 0.00 0.00 0.00 0.00 36.38 36.09 1d1k s VAL 466 CO 0.08 0.06 -0.03 -0.63 0.00 0.00 0.00 175.10 174.58 1d1k s ILE 467 N 0.38 3.97 -0.23 2.22 1.01 0.57 -4.96 121.20 124.15 1d1k s ILE 467 Ca -0.03 -0.33 -0.06 0.00 0.00 0.00 0.00 60.65 60.23 1d1k s ILE 467 Cb -0.05 -2.74 -0.02 0.00 0.01 0.00 0.00 42.46 39.65 1d1k s ILE 467 CO -0.01 0.49 0.01 -0.36 0.00 0.00 0.00 174.94 175.08 1d1k s PHE 468 N 0.36 3.02 -0.04 3.97 0.40 -1.26 -1.43 117.98 123.00 1d1k s PHE 468 Ca -0.04 -0.67 0.00 0.00 -0.60 0.00 0.00 56.93 55.63 1d1k s PHE 468 Cb -0.14 -2.17 0.00 0.00 0.51 0.00 0.00 43.02 41.22 1d1k s PHE 468 CO 0.03 -0.45 0.51 0.54 0.70 0.00 0.00 175.22 176.55