#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ckr n GLU 384 N 0.00 0.00 0.10 -1.46 -0.00 -1.26 -3.92 120.64 114.10 1ckr n GLU 384 Ca 0.00 0.33 -0.13 0.00 -0.00 0.00 0.00 57.16 57.36 1ckr n GLU 384 Cb 0.00 -1.14 -0.08 0.00 -0.00 0.00 0.00 31.44 30.22 1ckr n GLU 384 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.13 176.22 1ckr h ASN 385 N 0.00 -0.22 -1.55 -1.84 2.35 -2.13 -3.35 115.58 108.83 1ckr h ASN 385 Ca 0.00 -0.22 -0.65 0.00 -0.55 0.00 0.00 56.30 54.89 1ckr h ASN 385 Cb 0.00 0.06 -0.13 0.00 0.05 0.00 0.00 38.32 38.30 1ckr h ASN 385 CO 0.00 0.11 1.37 0.68 -1.65 0.00 0.00 177.43 177.94 1ckr s VAL 386 N -4.84 4.27 -0.27 2.81 -7.23 -1.26 -5.00 120.40 108.88 1ckr s VAL 386 Ca -0.15 -1.27 -0.29 0.00 -1.81 0.00 0.00 61.98 58.46 1ckr s VAL 386 Cb 0.03 -4.98 0.00 0.00 0.56 0.00 0.00 36.38 31.99 1ckr s VAL 386 CO 0.60 -1.80 1.23 0.00 -0.31 0.00 0.00 175.10 174.82 1ckr s GLN 387 N 3.96 4.05 -0.98 4.82 -2.07 -1.25 0.05 119.66 128.24 1ckr s GLN 387 Ca 0.43 1.32 -0.19 0.00 -1.82 0.00 0.00 55.36 55.09 1ckr s GLN 387 Cb -0.01 -3.81 0.11 0.00 -1.09 0.00 0.00 33.01 28.22 1ckr s GLN 387 CO -0.07 -0.94 1.23 0.16 -1.32 0.00 0.00 175.29 174.35 1ckr s ASP 388 N 2.25 6.64 -1.31 12.60 -4.77 -1.26 -4.84 116.67 125.98 1ckr s ASP 388 Ca 0.53 -1.99 -0.15 0.00 -3.30 0.00 0.00 52.55 47.64 1ckr s ASP 388 Cb -0.17 -2.44 0.11 0.00 -1.09 0.00 0.00 42.92 39.33 1ckr s ASP 388 CO 0.18 -1.14 1.78 0.18 0.70 0.00 0.00 175.17 176.87 1ckr n LEU 389 N 7.03 5.66 -0.09 2.11 4.77 -1.26 -4.76 117.00 130.47 1ckr n LEU 389 Ca 0.27 -4.22 -0.17 0.00 -0.03 0.00 0.00 56.01 51.87 1ckr n LEU 389 Cb 0.49 -1.66 -0.11 0.00 -2.33 0.00 0.00 43.42 39.82 1ckr n LEU 389 CO 0.55 0.68 -0.19 -0.07 -1.33 0.00 0.00 177.39 177.04 1ckr h LEU 390 N 10.58 0.00 -8.24 2.23 -0.00 -2.05 -3.43 115.31 114.40 1ckr h LEU 390 Ca 0.43 -0.60 -0.59 0.00 -0.00 0.00 0.00 57.88 57.12 1ckr h LEU 390 Cb 0.79 0.00 -0.11 0.00 -0.00 0.00 0.00 40.66 41.34 1ckr h LEU 390 CO 1.51 1.22 0.98 -0.22 -0.00 0.00 0.00 178.44 181.94 1ckr s LEU 391 N -8.05 3.76 -0.01 1.67 2.96 -1.26 -5.00 118.68 112.75 1ckr s LEU 391 Ca -0.23 -0.97 0.02 0.00 -0.22 0.00 0.00 54.13 52.74 1ckr s LEU 391 Cb 0.02 -2.51 -0.00 0.00 0.50 0.00 0.00 46.19 44.20 1ckr s LEU 391 CO 0.56 -1.58 -0.08 -0.76 -1.32 0.00 0.00 176.35 173.16 1ckr s LEU 392 N 4.81 1.93 -1.24 -0.68 1.43 -1.26 -5.08 118.68 118.58 1ckr s LEU 392 Ca 0.33 -0.16 -0.14 0.00 -1.03 0.00 0.00 54.13 53.13 1ckr s LEU 392 Cb -0.09 -0.46 0.15 0.00 0.03 0.00 0.00 46.19 45.82 1ckr s LEU 392 CO 0.06 0.09 1.54 0.47 0.23 0.00 0.00 176.35 178.74 1ckr n ASP 393 N 3.03 5.14 -4.75 2.29 8.00 -1.26 -5.01 116.55 123.99 1ckr n ASP 393 Ca -0.15 -2.97 -0.34 0.00 0.71 0.00 0.00 54.79 52.04 1ckr n ASP 393 Cb 0.56 -1.60 -0.08 0.00 -0.02 0.00 0.00 41.12 39.98 1ckr n ASP 393 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1ckr s VAL 394 N 2.00 4.60 0.06 2.53 -7.23 -1.26 -2.02 120.40 119.09 1ckr s VAL 394 Ca 0.45 -0.31 -0.16 0.00 -1.81 0.00 0.00 61.98 60.14 1ckr s VAL 394 Cb -0.00 -3.03 -0.06 0.00 0.56 0.00 0.00 36.38 33.84 1ckr s VAL 394 CO 0.02 0.47 0.50 0.28 -0.31 0.00 0.00 175.10 176.05 1ckr s THR 395 N -1.06 4.88 0.52 5.32 -1.32 -0.81 -4.86 115.64 118.31 1ckr s THR 395 Ca 0.18 0.98 0.18 0.00 -1.21 0.00 0.00 61.69 61.82 1ckr s THR 395 Cb -0.12 -3.79 0.28 0.00 -1.51 0.00 0.00 72.50 67.36 1ckr s THR 395 CO 0.08 0.50 2.15 1.55 -2.21 0.00 0.00 174.62 176.70 1ckr h PRO 396 N 4.39 0.00 -6.13 7.08 0.13 -1.94 -2.70 132.00 132.83 1ckr h PRO 396 Ca -0.50 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.03 1ckr h PRO 396 Cb 1.21 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.21 1ckr h PRO 396 CO 0.63 0.02 -0.70 -1.17 -0.23 0.00 0.00 178.00 176.54 1ckr s LEU 397 N -8.78 2.78 -0.37 1.56 2.96 -1.26 -2.94 118.68 112.63 1ckr s LEU 397 Ca -0.05 -0.99 -0.21 0.00 -0.22 0.00 0.00 54.13 52.66 1ckr s LEU 397 Cb 0.17 -1.22 0.01 0.00 0.50 0.00 0.00 46.19 45.64 1ckr s LEU 397 CO 0.65 -0.05 0.68 -0.94 -1.32 0.00 0.00 176.35 175.37 1ckr s SER 398 N -3.59 6.44 -0.21 3.68 1.04 -1.20 -4.52 113.70 115.35 1ckr s SER 398 Ca 0.31 0.12 -0.14 0.00 0.48 0.00 0.00 55.95 56.73 1ckr s SER 398 Cb -0.03 -2.35 -0.04 0.00 0.10 0.00 0.00 66.02 63.70 1ckr s SER 398 CO 0.17 -0.67 0.31 -0.76 0.98 0.00 0.00 173.24 173.27 1ckr s LEU 399 N 2.85 4.16 0.00 2.42 1.43 -1.26 -3.75 118.68 124.53 1ckr s LEU 399 Ca 0.26 0.39 0.00 0.00 -1.03 0.00 0.00 54.13 53.75 1ckr s LEU 399 Cb -0.14 -2.37 0.00 0.00 0.03 0.00 0.00 46.19 43.71 1ckr s LEU 399 CO 0.16 -0.01 0.00 0.61 0.23 0.00 0.00 176.35 177.34 1ckr n GLY 400 N 3.95 5.41 2.96 -3.19 0.00 -1.09 -4.36 105.19 108.86 1ckr n GLY 400 Ca -0.11 -1.22 -0.13 0.00 0.00 0.00 0.00 46.02 44.57 1ckr n GLY 400 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1ckr s ILE 401 N 1.10 -0.01 -0.20 -0.61 -4.36 -1.15 -2.15 121.20 113.82 1ckr s ILE 401 Ca 0.00 0.04 -0.29 0.00 -0.26 0.00 0.00 60.65 60.13 1ckr s ILE 401 Cb 0.00 -0.16 0.00 0.00 1.25 0.00 0.00 42.46 43.56 1ckr s ILE 401 CO 0.00 0.01 1.06 -0.70 0.24 0.00 0.00 174.94 175.55 1ckr s GLU 402 N 0.26 4.29 -0.01 0.37 -6.30 0.11 -2.84 118.70 114.58 1ckr s GLU 402 Ca -0.02 1.40 -0.00 0.00 -2.50 0.00 0.00 54.97 53.85 1ckr s GLU 402 Cb -0.03 -3.63 0.01 0.00 0.00 0.00 0.00 34.13 30.47 1ckr s GLU 402 CO -0.01 -0.58 0.02 0.95 0.02 0.00 0.00 175.26 175.65 1ckr s THR 403 N 3.02 -0.01 0.00 -1.70 -4.23 -0.88 -2.23 115.64 109.61 1ckr s THR 403 Ca 0.46 0.04 0.00 0.00 -1.18 0.00 0.00 61.69 61.01 1ckr s THR 403 Cb -0.16 -0.04 0.00 0.00 1.34 0.00 0.00 72.50 73.64 1ckr s THR 403 CO 0.09 0.02 0.00 0.00 -0.54 0.00 0.00 174.62 174.19 1ckr n ALA 404 N 3.29 0.00 0.25 3.99 0.00 -1.26 -1.40 120.51 125.38 1ckr n ALA 404 Ca -0.15 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.41 1ckr n ALA 404 Cb 0.58 0.00 0.60 0.00 0.00 0.00 0.00 19.45 20.63 1ckr n ALA 404 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1ckr h GLY 405 N 0.00 0.00 0.00 0.00 0.00 -1.92 -3.43 103.07 97.72 1ckr h GLY 405 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ckr h GLY 405 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1ckr n GLY 406 N -0.18 0.67 3.00 4.60 0.00 -0.49 -5.10 105.19 107.69 1ckr n GLY 406 Ca -0.01 -0.43 -0.09 0.00 0.00 0.00 0.00 46.02 45.49 1ckr n GLY 406 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ckr s VAL 407 N -0.28 0.18 -0.15 1.61 -7.23 -1.19 -4.30 120.40 109.04 1ckr s VAL 407 Ca 0.00 -1.04 -0.27 0.00 -1.81 0.00 0.00 61.98 58.86 1ckr s VAL 407 Cb 0.00 -0.46 -0.01 0.00 0.56 0.00 0.00 36.38 36.47 1ckr s VAL 407 CO 0.00 -0.55 0.89 -0.32 -0.31 0.00 0.00 175.10 174.82 1ckr s MET 408 N -1.78 4.33 -0.21 4.82 1.75 -1.15 -2.06 119.30 124.99 1ckr s MET 408 Ca -0.12 1.14 -0.08 0.00 -1.25 0.00 0.00 55.69 55.38 1ckr s MET 408 Cb -0.08 -3.57 -0.04 0.00 2.84 0.00 0.00 34.83 33.99 1ckr s MET 408 CO -0.02 -0.34 0.08 0.99 -0.65 0.00 0.00 175.02 175.08 1ckr s THR 409 N 2.16 4.69 -0.34 10.11 2.01 -1.13 -4.60 115.64 128.54 1ckr s THR 409 Ca 0.41 -0.06 -0.05 0.00 0.31 0.00 0.00 61.69 62.31 1ckr s THR 409 Cb -0.17 -3.15 0.05 0.00 0.01 0.00 0.00 72.50 69.25 1ckr s THR 409 CO 0.13 0.40 0.09 0.54 -0.69 0.00 0.00 174.62 175.10 1ckr s VAL 410 N 0.86 3.48 -0.28 3.82 0.11 -1.26 -2.95 120.40 124.18 1ckr s VAL 410 Ca 0.04 -1.36 0.20 0.00 -2.93 0.00 0.00 61.98 57.94 1ckr s VAL 410 Cb -0.14 -3.05 0.13 0.00 -1.53 0.00 0.00 36.38 31.80 1ckr s VAL 410 CO 0.02 -0.25 1.34 0.17 -3.33 0.00 0.00 175.10 173.06 1ckr h LEU 411 N 8.14 0.00 0.00 2.54 8.10 -1.98 -3.47 115.31 128.64 1ckr h LEU 411 Ca -0.21 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.78 1ckr h LEU 411 Cb 1.07 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.29 1ckr h LEU 411 CO 0.60 0.19 0.00 -0.38 -4.11 0.00 0.00 178.44 174.74 1ckr n ILE 412 N -3.00 0.00 -3.44 0.15 2.08 -1.26 -5.02 119.36 108.87 1ckr n ILE 412 Ca 0.01 0.00 -0.12 0.00 0.56 0.00 0.00 62.75 63.20 1ckr n ILE 412 Cb 0.62 -1.81 -0.02 0.00 -0.75 0.00 0.00 39.64 37.68 1ckr n ILE 412 CO 0.00 0.00 0.00 -1.59 0.56 0.00 0.00 176.55 175.52 1ckr s LYS 413 N 0.50 1.17 0.29 0.38 0.00 -1.26 -4.93 119.74 115.89 1ckr s LYS 413 Ca 0.00 -0.39 -0.28 0.00 0.00 0.00 0.00 55.97 55.30 1ckr s LYS 413 Cb 0.00 0.54 -0.09 0.00 0.00 0.00 0.00 37.83 38.28 1ckr s LYS 413 CO 0.00 -0.50 1.00 -0.98 0.00 0.00 0.00 175.35 174.86 1ckr s ARG 414 N -3.44 4.66 -1.20 1.78 1.70 -1.26 -3.26 118.95 117.93 1ckr s ARG 414 Ca 0.01 1.55 -0.04 0.00 -0.47 0.00 0.00 55.73 56.77 1ckr s ARG 414 Cb -0.01 -3.07 -0.02 0.00 -0.57 0.00 0.00 34.95 31.28 1ckr s ARG 414 CO -0.11 0.31 0.83 0.09 -1.08 0.00 0.00 175.30 175.34 1ckr n ASN 415 N 1.03 -3.20 -4.71 -2.89 3.02 -1.04 -4.95 115.26 102.53 1ckr n ASN 415 Ca -0.00 -0.77 -0.40 0.00 -0.03 0.00 0.00 54.58 53.38 1ckr n ASN 415 Cb 0.47 -4.48 -0.05 0.00 -0.61 0.00 0.00 39.78 35.11 1ckr n ASN 415 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1ckr s THR 416 N -3.50 5.05 -0.95 3.41 -1.32 -1.07 -4.82 115.64 112.43 1ckr s THR 416 Ca 0.17 1.37 -0.24 0.00 -1.21 0.00 0.00 61.69 61.78 1ckr s THR 416 Cb -0.04 -4.01 -0.05 0.00 -1.51 0.00 0.00 72.50 66.90 1ckr s THR 416 CO 0.78 0.22 1.91 -0.89 -2.21 0.00 0.00 174.62 174.44 1ckr s THR 417 N 1.05 3.50 0.28 5.08 2.01 -1.26 -1.93 115.64 124.36 1ckr s THR 417 Ca 0.35 -0.48 -0.21 0.00 0.31 0.00 0.00 61.69 61.67 1ckr s THR 417 Cb -0.17 -4.15 -0.09 0.00 0.01 0.00 0.00 72.50 68.10 1ckr s THR 417 CO 0.16 -1.02 0.80 0.27 -0.69 0.00 0.00 174.62 174.14 1ckr s ILE 418 N 9.84 4.48 0.46 1.82 -4.36 -0.85 -4.30 121.20 128.29 1ckr s ILE 418 Ca 0.68 1.38 -0.24 0.00 -0.26 0.00 0.00 60.65 62.22 1ckr s ILE 418 Cb -0.05 -3.83 -0.07 0.00 1.25 0.00 0.00 42.46 39.75 1ckr s ILE 418 CO 0.01 0.08 1.27 -2.16 0.24 0.00 0.00 174.94 174.37 1ckr s PRO 419 N -2.27 3.67 -0.14 0.37 0.04 -1.26 -4.67 135.00 130.73 1ckr s PRO 419 Ca 0.48 2.04 -0.07 0.00 0.04 0.00 0.00 61.00 63.49 1ckr s PRO 419 Cb -0.15 -2.50 0.06 0.00 0.04 0.00 0.00 34.50 31.95 1ckr s PRO 419 CO 0.20 -0.70 0.33 -0.08 0.04 0.00 0.00 177.00 176.79 1ckr s THR 420 N -1.38 -0.14 -0.40 1.26 -1.32 -1.11 -4.93 115.64 107.61 1ckr s THR 420 Ca 0.63 0.15 -0.09 0.00 -1.21 0.00 0.00 61.69 61.16 1ckr s THR 420 Cb -0.35 -0.51 0.06 0.00 -1.51 0.00 0.00 72.50 70.20 1ckr s THR 420 CO 0.43 0.06 0.24 -0.75 -2.21 0.00 0.00 174.62 172.39 1ckr s LYS 421 N 1.59 2.66 -0.11 7.08 2.20 -1.25 -0.90 119.74 131.02 1ckr s LYS 421 Ca -0.07 -1.35 0.03 0.00 -0.36 0.00 0.00 55.97 54.21 1ckr s LYS 421 Cb -0.10 -3.75 -0.00 0.00 -1.51 0.00 0.00 37.83 32.47 1ckr s LYS 421 CO -0.11 -0.88 -0.21 -0.65 -0.36 0.00 0.00 175.35 173.15 1ckr s GLN 422 N 1.46 3.13 -0.43 4.03 -0.21 -0.47 -4.95 119.66 122.22 1ckr s GLN 422 Ca 0.02 -0.83 -0.07 0.00 0.02 0.00 0.00 55.36 54.51 1ckr s GLN 422 Cb -0.22 -2.40 0.10 0.00 1.00 0.00 0.00 33.01 31.49 1ckr s GLN 422 CO 0.03 0.17 0.26 0.95 -2.12 0.00 0.00 175.29 174.58 1ckr s THR 423 N 0.40 3.88 -0.29 -0.19 -4.23 -1.26 -0.70 115.64 113.25 1ckr s THR 423 Ca -0.16 -1.73 -0.11 0.00 -1.18 0.00 0.00 61.69 58.51 1ckr s THR 423 Cb -0.17 -3.51 -0.05 0.00 1.34 0.00 0.00 72.50 70.11 1ckr s THR 423 CO 0.07 -0.63 0.20 -1.58 -0.54 0.00 0.00 174.62 172.14 1ckr s GLN 424 N 1.31 3.91 -0.32 3.99 2.00 -1.03 -4.97 119.66 124.56 1ckr s GLN 424 Ca 0.05 -0.33 -0.23 0.00 -2.00 0.00 0.00 55.36 52.85 1ckr s GLN 424 Cb -0.24 -3.67 0.00 0.00 0.80 0.00 0.00 33.01 29.90 1ckr s GLN 424 CO -0.01 -0.21 0.78 0.99 -0.50 0.00 0.00 175.29 176.34 1ckr s THR 425 N 1.77 4.78 0.15 -0.34 2.01 -1.26 -1.37 115.64 121.38 1ckr s THR 425 Ca 0.07 1.11 0.03 0.00 0.31 0.00 0.00 61.69 63.21 1ckr s THR 425 Cb -0.16 -4.16 -0.04 0.00 0.01 0.00 0.00 72.50 68.16 1ckr s THR 425 CO 0.11 -0.29 0.26 -0.36 -0.69 0.00 0.00 174.62 173.66 1ckr s PHE 426 N 2.98 3.44 0.00 4.92 0.40 0.44 -4.96 117.98 125.20 1ckr s PHE 426 Ca 0.32 0.10 0.00 0.00 -0.60 0.00 0.00 56.93 56.75 1ckr s PHE 426 Cb -0.14 -1.65 0.00 0.00 0.51 0.00 0.00 43.02 41.74 1ckr s PHE 426 CO 0.13 0.52 0.00 -2.37 0.70 0.00 0.00 175.22 174.20 1ckr n THR 427 N -0.51 0.00 -4.18 0.64 5.66 0.74 -0.32 114.28 116.30 1ckr n THR 427 Ca -0.07 0.00 -0.17 0.00 -3.05 0.00 0.00 64.05 60.76 1ckr n THR 427 Cb 0.54 -0.62 -0.12 0.00 -1.55 0.00 0.00 70.33 68.58 1ckr n THR 427 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1ckr s THR 428 N 1.81 0.84 -0.41 1.09 -4.23 -0.92 -3.93 115.64 109.88 1ckr s THR 428 Ca 0.00 -1.03 0.04 0.00 -1.18 0.00 0.00 61.69 59.52 1ckr s THR 428 Cb 0.00 -0.82 0.63 0.00 1.34 0.00 0.00 72.50 73.65 1ckr s THR 428 CO 0.00 -0.18 1.84 0.00 -0.54 0.00 0.00 174.62 175.74 1ckr n TYR 429 N 1.69 2.82 -4.14 3.99 9.36 -1.26 -2.60 117.16 127.02 1ckr n TYR 429 Ca -0.20 -1.71 -0.11 0.00 3.32 0.00 0.00 57.90 59.20 1ckr n TYR 429 Cb 0.55 -0.88 -0.10 0.00 -0.63 0.00 0.00 39.34 38.27 1ckr n TYR 429 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 1ckr s SER 430 N -1.11 1.08 0.56 2.98 0.15 -1.26 -4.96 113.70 111.13 1ckr s SER 430 Ca 0.53 -0.86 0.35 0.00 0.70 0.00 0.00 55.95 56.67 1ckr s SER 430 Cb 0.44 0.07 1.93 0.00 -1.71 0.00 0.00 66.02 66.75 1ckr s SER 430 CO 0.10 -0.38 2.08 0.44 1.20 0.00 0.00 173.24 176.69 1ckr h ASP 431 N 3.44 0.00 -1.27 5.45 5.19 -1.90 -3.34 116.42 123.99 1ckr h ASP 431 Ca -0.36 0.00 0.03 0.00 -0.62 0.00 0.00 57.03 56.09 1ckr h ASP 431 Cb 1.18 0.00 -0.23 0.00 0.18 0.00 0.00 39.33 40.46 1ckr h ASP 431 CO 0.57 0.00 -0.32 0.54 -3.12 0.00 0.00 179.24 176.92 1ckr s ASN 432 N -4.68 -0.98 -0.78 6.45 4.22 -1.26 -3.76 114.94 114.15 1ckr s ASN 432 Ca -0.04 0.76 -0.01 0.00 -2.14 0.00 0.00 52.86 51.43 1ckr s ASN 432 Cb 0.10 1.92 -0.01 0.00 1.28 0.00 0.00 41.25 44.54 1ckr s ASN 432 CO 0.32 -0.27 0.73 1.67 -2.04 0.00 0.00 177.10 177.51 1ckr n GLN 433 N 5.41 -1.44 -2.71 3.55 7.27 -1.26 -4.95 117.38 123.26 1ckr n GLN 433 Ca -0.02 1.41 -0.43 0.00 0.07 0.00 0.00 57.00 58.03 1ckr n GLN 433 Cb 0.51 -5.73 -0.03 0.00 2.41 0.00 0.00 30.24 27.41 1ckr n GLN 433 CO 0.00 0.00 0.00 -2.14 0.07 0.00 0.00 177.06 174.99 1ckr s PRO 434 N -3.21 4.19 0.07 3.69 0.02 -1.26 -4.85 135.00 133.65 1ckr s PRO 434 Ca 0.06 1.19 -0.31 0.00 0.02 0.00 0.00 61.00 61.96 1ckr s PRO 434 Cb -0.01 -3.67 -0.07 0.00 0.02 0.00 0.00 34.50 30.78 1ckr s PRO 434 CO 0.75 -0.67 1.39 0.20 -0.33 0.00 0.00 177.00 178.34 1ckr s GLY 435 N 1.34 1.95 0.04 0.52 0.00 -1.26 -4.91 107.32 105.00 1ckr s GLY 435 Ca 0.42 1.02 0.06 0.00 0.00 0.00 0.00 44.72 46.22 1ckr s GLY 435 CO 0.08 2.40 -0.14 -1.34 0.00 0.00 0.00 173.10 174.10 1ckr s VAL 436 N 1.59 3.09 -0.25 1.40 -7.23 0.08 -4.90 120.40 114.18 1ckr s VAL 436 Ca 0.64 -1.07 -0.15 0.00 -1.81 0.00 0.00 61.98 59.59 1ckr s VAL 436 Cb -0.35 -2.33 -0.04 0.00 0.56 0.00 0.00 36.38 34.23 1ckr s VAL 436 CO 0.29 0.33 0.35 -0.22 -0.31 0.00 0.00 175.10 175.55 1ckr s LEU 437 N -1.50 4.07 -0.28 1.32 2.96 -0.71 -0.78 118.68 123.76 1ckr s LEU 437 Ca 0.16 0.31 -0.05 0.00 -0.22 0.00 0.00 54.13 54.33 1ckr s LEU 437 Cb -0.11 -2.40 0.01 0.00 0.50 0.00 0.00 46.19 44.19 1ckr s LEU 437 CO 0.07 -0.13 0.04 -0.63 -1.32 0.00 0.00 176.35 174.37 1ckr s ILE 438 N 1.78 3.65 -0.22 6.68 -1.09 -0.13 -4.57 121.20 127.30 1ckr s ILE 438 Ca 0.15 -0.75 -0.01 0.00 -2.23 0.00 0.00 60.65 57.81 1ckr s ILE 438 Cb -0.15 -2.86 0.02 0.00 -1.58 0.00 0.00 42.46 37.89 1ckr s ILE 438 CO 0.09 0.14 -0.12 -1.10 -1.23 0.00 0.00 174.94 172.72 1ckr s GLN 439 N 1.46 2.95 -0.09 2.79 -0.21 -0.95 -0.93 119.66 124.67 1ckr s GLN 439 Ca 0.02 -0.88 -0.29 0.00 0.02 0.00 0.00 55.36 54.23 1ckr s GLN 439 Cb -0.17 -2.81 -0.02 0.00 1.00 0.00 0.00 33.01 31.02 1ckr s GLN 439 CO 0.00 -0.30 0.98 0.08 -2.12 0.00 0.00 175.29 173.94 1ckr s VAL 440 N 1.32 4.81 -0.28 1.09 1.01 -1.18 0.07 120.40 127.25 1ckr s VAL 440 Ca 0.02 2.01 -0.02 0.00 0.00 0.00 0.00 61.98 63.99 1ckr s VAL 440 Cb -0.15 -4.30 0.03 0.00 0.00 0.00 0.00 36.38 31.97 1ckr s VAL 440 CO -0.08 0.04 -0.02 -0.31 0.00 0.00 0.00 175.10 174.73 1ckr s TYR 441 N 1.80 3.16 -0.70 5.22 1.51 -0.91 -1.67 117.35 125.76 1ckr s TYR 441 Ca 0.48 -1.63 -0.20 0.00 -1.01 0.00 0.00 57.07 54.71 1ckr s TYR 441 Cb -0.19 -2.10 0.10 0.00 -0.11 0.00 0.00 41.96 39.66 1ckr s TYR 441 CO 0.19 -0.75 0.91 -2.00 -1.11 0.00 0.00 175.55 172.80 1ckr s GLU 442 N 1.31 3.20 0.00 -0.62 2.12 -1.09 -2.69 118.70 120.94 1ckr s GLU 442 Ca -0.02 -1.22 0.00 0.00 0.36 0.00 0.00 54.97 54.09 1ckr s GLU 442 Cb -0.18 -4.38 0.00 0.00 0.26 0.00 0.00 34.13 29.83 1ckr s GLU 442 CO -0.02 -1.71 0.00 0.41 -0.54 0.00 0.00 175.26 173.40 1ckr n GLY 443 N 5.31 -0.69 3.54 -1.50 0.00 -1.25 -0.73 105.19 109.88 1ckr n GLY 443 Ca 0.00 -0.67 -0.15 0.00 0.00 0.00 0.00 46.02 45.21 1ckr n GLY 443 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ckr s GLU 444 N -0.06 0.87 0.00 1.61 2.02 -1.26 -2.84 118.70 119.04 1ckr s GLU 444 Ca 0.00 0.23 0.00 0.00 0.02 0.00 0.00 54.97 55.22 1ckr s GLU 444 Cb 0.00 0.41 0.00 0.00 0.10 0.00 0.00 34.13 34.64 1ckr s GLU 444 CO 0.00 -0.27 0.00 -2.13 0.02 0.00 0.00 175.26 172.88 1ckr n ARG 445 N 0.87 0.16 -1.24 1.61 0.63 -1.26 -4.69 116.66 112.74 1ckr n ARG 445 Ca -0.15 0.00 -0.21 0.00 -0.92 0.00 0.00 57.85 56.57 1ckr n ARG 445 Cb 0.57 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 33.43 1ckr n ARG 445 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1ckr n ALA 446 N -3.00 6.08 -0.89 5.13 0.00 -1.26 -4.89 120.51 121.67 1ckr n ALA 446 Ca 0.00 -2.42 0.00 0.00 0.00 0.00 0.00 53.44 51.02 1ckr n ALA 446 Cb 0.00 -1.98 0.00 0.00 0.00 0.00 0.00 19.45 17.47 1ckr n ALA 446 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1ckr n MET 447 N 1.10 -2.19 -1.33 0.00 2.81 -1.26 -4.72 117.12 111.52 1ckr n MET 447 Ca 0.42 1.67 0.00 0.00 -1.81 0.00 0.00 57.70 57.98 1ckr n MET 447 Cb 0.62 -1.71 0.00 0.00 -0.71 0.00 0.00 33.22 31.42 1ckr n MET 447 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1ckr n THR 448 N 0.21 0.00 0.00 2.03 -2.24 -1.26 -4.94 114.28 108.07 1ckr n THR 448 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1ckr n THR 448 Cb 0.00 -1.41 0.00 0.00 -2.10 0.00 0.00 70.33 66.82 1ckr n THR 448 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1ckr n LYS 449 N -0.55 0.00 -2.89 -0.78 0.00 -1.26 -5.10 118.16 107.58 1ckr n LYS 449 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 58.31 58.29 1ckr n LYS 449 Cb 0.31 0.00 0.01 0.00 0.00 0.00 0.00 35.03 35.35 1ckr n LYS 449 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.40 177.56 1ckr s ASP 450 N -1.00 -1.16 0.86 3.14 1.47 -1.26 -5.07 116.67 113.65 1ckr s ASP 450 Ca 0.00 -1.01 -0.13 0.00 1.18 0.00 0.00 52.55 52.59 1ckr s ASP 450 Cb 0.00 1.50 0.13 0.00 -0.34 0.00 0.00 42.92 44.21 1ckr s ASP 450 CO 0.00 -0.08 1.22 0.54 0.68 0.00 0.00 175.17 177.53 1ckr s ASN 451 N 1.35 3.99 -0.49 2.11 2.20 -1.13 -4.76 114.94 118.20 1ckr s ASN 451 Ca 0.22 0.55 -0.15 0.00 -0.94 0.00 0.00 52.86 52.54 1ckr s ASN 451 Cb 0.01 -0.87 0.09 0.00 -2.00 0.00 0.00 41.25 38.48 1ckr s ASN 451 CO -0.08 -2.20 0.42 0.20 -2.94 0.00 0.00 177.10 172.50 1ckr s ASN 452 N -4.70 6.12 -0.13 3.54 -0.87 0.09 -4.89 114.94 114.11 1ckr s ASN 452 Ca 0.66 -1.52 -0.29 0.00 -1.57 0.00 0.00 52.86 50.15 1ckr s ASN 452 Cb -0.08 -2.18 -0.05 0.00 -0.02 0.00 0.00 41.25 38.92 1ckr s ASN 452 CO 0.50 -0.72 1.76 -0.22 -2.57 0.00 0.00 177.10 175.86 1ckr s LEU 453 N 1.61 4.05 -0.21 0.60 0.20 -1.26 -2.65 118.68 121.01 1ckr s LEU 453 Ca 0.04 2.00 0.02 0.00 0.69 0.00 0.00 54.13 56.88 1ckr s LEU 453 Cb -0.26 -3.53 0.04 0.00 -0.43 0.00 0.00 46.19 42.01 1ckr s LEU 453 CO 0.05 -1.22 -0.14 -0.76 -0.29 0.00 0.00 176.35 173.99 1ckr s LEU 454 N 5.14 2.64 0.00 -0.68 1.02 -0.67 -4.96 118.68 121.17 1ckr s LEU 454 Ca 0.78 -0.99 0.00 0.00 0.02 0.00 0.00 54.13 53.95 1ckr s LEU 454 Cb -0.31 -1.43 0.00 0.00 0.02 0.00 0.00 46.19 44.47 1ckr s LEU 454 CO 0.32 -0.11 0.00 0.61 0.02 0.00 0.00 176.35 177.19 1ckr n GLY 455 N 4.57 1.32 1.65 -3.19 0.00 -1.26 -3.08 105.19 105.21 1ckr n GLY 455 Ca -0.17 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1ckr n GLY 455 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1ckr n LYS 456 N 0.00 -4.73 -3.81 1.61 2.85 -1.26 -4.95 118.16 107.87 1ckr n LYS 456 Ca 0.00 3.53 -0.10 0.00 -1.05 0.00 0.00 58.31 60.69 1ckr n LYS 456 Cb 0.00 -4.00 -0.08 0.00 -0.65 0.00 0.00 35.03 30.31 1ckr n LYS 456 CO 0.00 0.00 0.00 -0.59 -0.05 0.00 0.00 177.40 176.76 1ckr s PHE 457 N -3.60 0.02 -0.17 5.58 -0.71 -0.11 -5.00 117.98 113.99 1ckr s PHE 457 Ca 0.00 -0.26 -0.08 0.00 -1.04 0.00 0.00 56.93 55.54 1ckr s PHE 457 Cb 0.00 0.01 -0.05 0.00 -1.21 0.00 0.00 43.02 41.78 1ckr s PHE 457 CO 0.00 -0.49 0.12 -2.00 -1.34 0.00 0.00 175.22 171.51 1ckr s GLU 458 N -2.89 3.90 -0.13 1.99 2.12 -1.26 -0.95 118.70 121.48 1ckr s GLU 458 Ca -0.03 -0.22 0.02 0.00 0.36 0.00 0.00 54.97 55.11 1ckr s GLU 458 Cb 0.00 -3.30 0.00 0.00 0.26 0.00 0.00 34.13 31.10 1ckr s GLU 458 CO -0.06 0.45 -0.20 -1.17 -0.54 0.00 0.00 175.26 173.74 1ckr s LEU 459 N -0.08 2.23 0.00 2.70 1.98 0.04 -4.97 118.68 120.59 1ckr s LEU 459 Ca 0.09 -0.54 -0.14 0.00 -2.89 0.00 0.00 54.13 50.66 1ckr s LEU 459 Cb -0.11 -1.48 0.02 0.00 0.66 0.00 0.00 46.19 45.28 1ckr s LEU 459 CO 0.00 0.11 0.29 0.42 -1.89 0.00 0.00 176.35 175.28 1ckr s THR 460 N 0.66 0.07 0.00 3.68 -4.23 -1.26 -0.74 115.64 113.82 1ckr s THR 460 Ca -0.10 -0.57 0.00 0.00 -1.18 0.00 0.00 61.69 59.84 1ckr s THR 460 Cb -0.16 -0.70 0.00 0.00 1.34 0.00 0.00 72.50 72.98 1ckr s THR 460 CO 0.02 -0.31 0.00 0.61 -0.54 0.00 0.00 174.62 174.40 1ckr n GLY 461 N 1.08 0.56 3.90 3.99 0.00 -1.26 -5.05 105.19 108.41 1ckr n GLY 461 Ca -0.21 -0.76 -0.33 0.00 0.00 0.00 0.00 46.02 44.73 1ckr n GLY 461 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ckr s ILE 462 N -0.36 5.32 -0.17 -0.61 -1.09 -1.26 -4.86 121.20 118.17 1ckr s ILE 462 Ca 0.00 -0.06 -0.29 0.00 -2.23 0.00 0.00 60.65 58.07 1ckr s ILE 462 Cb 0.00 -3.59 -0.02 0.00 -1.58 0.00 0.00 42.46 37.27 1ckr s ILE 462 CO 0.00 0.24 1.41 -2.16 -1.23 0.00 0.00 174.94 173.19 1ckr s PRO 463 N -2.15 4.11 -0.98 2.79 0.04 -1.26 -4.70 135.00 132.84 1ckr s PRO 463 Ca 0.32 1.72 -0.23 0.00 0.04 0.00 0.00 61.00 62.85 1ckr s PRO 463 Cb -0.13 -3.87 0.06 0.00 0.04 0.00 0.00 34.50 30.61 1ckr s PRO 463 CO 0.21 -0.88 1.38 -1.25 0.04 0.00 0.00 177.00 176.50 1ckr s PRO 464 N 3.88 3.56 0.41 0.56 0.04 -1.26 -4.41 135.00 137.78 1ckr s PRO 464 Ca 0.61 -1.17 0.08 0.00 0.04 0.00 0.00 61.00 60.56 1ckr s PRO 464 Cb -0.24 -5.20 -0.03 0.00 0.04 0.00 0.00 34.50 29.07 1ckr s PRO 464 CO 0.21 -2.13 0.31 0.00 0.04 0.00 0.00 177.00 175.43 1ckr s ALA 465 N 4.63 3.90 0.77 8.56 0.00 -1.26 -4.88 121.76 133.48 1ckr s ALA 465 Ca 0.43 -1.96 -0.13 0.00 0.00 0.00 0.00 51.96 50.30 1ckr s ALA 465 Cb -0.02 -0.80 0.06 0.00 0.00 0.00 0.00 23.12 22.36 1ckr s ALA 465 CO -0.08 -0.20 1.15 -2.14 0.00 0.00 0.00 175.76 174.48 1ckr s PRO 466 N -4.05 2.02 -0.28 0.00 0.02 -1.25 -4.01 135.00 127.46 1ckr s PRO 466 Ca 0.46 1.50 -0.43 0.00 0.02 0.00 0.00 61.00 62.55 1ckr s PRO 466 Cb -0.01 -1.85 -0.19 0.00 0.02 0.00 0.00 34.50 32.47 1ckr s PRO 466 CO 0.26 -1.87 1.34 -2.13 -0.33 0.00 0.00 177.00 174.27 1ckr n ARG 467 N -3.21 0.00 0.00 5.54 0.63 -1.25 -0.62 116.66 117.74 1ckr n ARG 467 Ca 0.11 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.04 1ckr n ARG 467 Cb 0.52 -1.46 0.00 0.00 0.45 0.00 0.00 32.46 31.97 1ckr n ARG 467 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1ckr n GLY 468 N 2.85 2.67 0.11 5.14 0.00 -1.07 -4.93 105.19 109.97 1ckr n GLY 468 Ca 0.26 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.12 1ckr n GLY 468 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ckr n VAL 469 N -2.00 1.64 -1.90 1.61 0.31 0.21 -4.66 118.33 113.53 1ckr n VAL 469 Ca 0.00 -0.72 -0.42 0.00 -0.01 0.00 0.00 64.34 63.19 1ckr n VAL 469 Cb 0.00 -1.30 -0.03 0.00 -0.91 0.00 0.00 33.84 31.60 1ckr n VAL 469 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 1ckr s PRO 470 N -2.56 4.19 0.08 5.55 0.02 -1.26 -4.80 135.00 136.23 1ckr s PRO 470 Ca -0.17 2.37 -0.12 0.00 0.02 0.00 0.00 61.00 63.11 1ckr s PRO 470 Cb 0.07 -3.47 0.01 0.00 0.02 0.00 0.00 34.50 31.13 1ckr s PRO 470 CO 0.77 -0.71 0.26 1.14 -0.33 0.00 0.00 177.00 178.13 1ckr s GLN 471 N 2.24 0.86 -0.02 5.54 -2.07 -1.26 -2.17 119.66 122.78 1ckr s GLN 471 Ca 0.74 -0.75 0.02 0.00 -1.82 0.00 0.00 55.36 53.54 1ckr s GLN 471 Cb -0.42 0.36 0.00 0.00 -1.09 0.00 0.00 33.01 31.87 1ckr s GLN 471 CO 0.32 -0.29 -0.05 0.96 -1.32 0.00 0.00 175.29 174.92 1ckr s ILE 472 N -3.35 0.46 -0.64 3.63 -0.00 0.56 -4.55 121.20 117.30 1ckr s ILE 472 Ca 0.01 -0.19 -0.22 0.00 -0.00 0.00 0.00 60.65 60.25 1ckr s ILE 472 Cb 0.02 -0.42 0.08 0.00 -0.00 0.00 0.00 42.46 42.13 1ckr s ILE 472 CO -0.08 0.15 0.91 -1.61 -0.00 0.00 0.00 174.94 174.32 1ckr s GLU 473 N 0.20 3.10 -0.79 0.37 2.02 0.85 -0.42 118.70 124.03 1ckr s GLU 473 Ca -0.02 -0.92 -0.26 0.00 0.02 0.00 0.00 54.97 53.79 1ckr s GLU 473 Cb -0.06 -4.23 0.03 0.00 0.10 0.00 0.00 34.13 29.96 1ckr s GLU 473 CO -0.00 -1.76 1.35 0.08 0.02 0.00 0.00 175.26 174.95 1ckr s VAL 474 N 3.80 3.73 -0.27 2.63 1.01 -0.47 -0.55 120.40 130.29 1ckr s VAL 474 Ca 0.20 0.17 -0.16 0.00 0.00 0.00 0.00 61.98 62.20 1ckr s VAL 474 Cb -0.18 -4.88 -0.03 0.00 0.00 0.00 0.00 36.38 31.28 1ckr s VAL 474 CO 0.09 -1.81 0.41 -0.89 0.00 0.00 0.00 175.10 172.91 1ckr s THR 475 N 5.85 5.15 -0.59 3.92 2.01 0.57 -2.45 115.64 130.09 1ckr s THR 475 Ca 0.39 0.66 -0.13 0.00 0.31 0.00 0.00 61.69 62.91 1ckr s THR 475 Cb -0.07 -3.73 0.15 0.00 0.01 0.00 0.00 72.50 68.86 1ckr s THR 475 CO 0.10 0.14 0.52 -0.36 -0.69 0.00 0.00 174.62 174.34 1ckr s PHE 476 N 2.11 3.41 -0.59 4.92 0.40 0.12 0.03 117.98 128.39 1ckr s PHE 476 Ca 0.17 -1.65 -0.13 0.00 -0.60 0.00 0.00 56.93 54.72 1ckr s PHE 476 Cb -0.16 -3.71 0.15 0.00 0.51 0.00 0.00 43.02 39.81 1ckr s PHE 476 CO 0.10 -1.00 0.50 0.34 0.70 0.00 0.00 175.22 175.86 1ckr s ASP 477 N 2.93 6.10 0.08 1.36 2.15 -0.80 -1.37 116.67 127.11 1ckr s ASP 477 Ca 0.08 -2.09 -0.23 0.00 0.43 0.00 0.00 52.55 50.73 1ckr s ASP 477 Cb -0.24 -2.12 -0.07 0.00 -0.30 0.00 0.00 42.92 40.19 1ckr s ASP 477 CO -0.01 -0.71 0.70 -0.63 -0.17 0.00 0.00 175.17 174.35 1ckr s ILE 478 N 1.11 4.64 0.21 4.11 1.01 -0.08 -1.08 121.20 131.11 1ckr s ILE 478 Ca 0.08 1.51 -0.13 0.00 0.00 0.00 0.00 60.65 62.11 1ckr s ILE 478 Cb -0.24 -4.05 -0.07 0.00 0.01 0.00 0.00 42.46 38.10 1ckr s ILE 478 CO -0.01 0.47 0.59 -1.81 0.00 0.00 0.00 174.94 174.17 1ckr s ASP 479 N -0.66 6.76 0.64 3.58 1.01 0.81 -2.76 116.67 126.04 1ckr s ASP 479 Ca 0.34 1.07 0.24 0.00 0.71 0.00 0.00 52.55 54.92 1ckr s ASP 479 Cb -0.21 -2.29 1.24 0.00 1.01 0.00 0.00 42.92 42.68 1ckr s ASP 479 CO 0.22 -0.02 1.70 0.00 0.21 0.00 0.00 175.17 177.29 1ckr h ALA 480 N 2.96 1.77 -0.87 5.23 0.00 -1.86 -2.37 119.26 124.12 1ckr h ALA 480 Ca -0.48 -0.01 -0.60 0.00 0.00 0.00 0.00 54.91 53.83 1ckr h ALA 480 Cb 1.18 0.01 -0.25 0.00 0.00 0.00 0.00 17.79 18.73 1ckr h ALA 480 CO 0.67 -0.65 0.77 0.09 0.00 0.00 0.00 179.25 180.13 1ckr n ASN 481 N -3.03 7.40 -3.89 0.00 3.02 -1.26 -4.80 115.26 112.69 1ckr n ASN 481 Ca 0.03 -3.61 -0.26 0.00 -0.03 0.00 0.00 54.58 50.70 1ckr n ASN 481 Cb 0.64 -1.01 -0.01 0.00 -0.61 0.00 0.00 39.78 38.80 1ckr n ASN 481 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ckr n GLY 482 N -0.57 -0.34 3.17 7.41 0.00 -0.91 -4.82 105.19 109.12 1ckr n GLY 482 Ca 0.55 0.19 -0.34 0.00 0.00 0.00 0.00 46.02 46.42 1ckr n GLY 482 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ckr s ILE 483 N -3.86 2.66 -0.45 -0.61 1.01 -1.08 -4.35 121.20 114.52 1ckr s ILE 483 Ca 0.07 -1.07 -0.25 0.00 0.00 0.00 0.00 60.65 59.41 1ckr s ILE 483 Cb -0.03 -2.33 0.03 0.00 0.01 0.00 0.00 42.46 40.14 1ckr s ILE 483 CO 0.88 0.24 0.92 -0.22 0.00 0.00 0.00 174.94 176.76 1ckr s LEU 484 N 1.30 4.01 -1.13 2.97 0.20 -0.84 -0.14 118.68 125.06 1ckr s LEU 484 Ca 0.00 0.16 -0.15 0.00 0.69 0.00 0.00 54.13 54.83 1ckr s LEU 484 Cb -0.16 -3.20 0.15 0.00 -0.43 0.00 0.00 46.19 42.56 1ckr s LEU 484 CO -0.06 -1.03 1.35 0.21 -0.29 0.00 0.00 176.35 176.54 1ckr s ASN 485 N 2.22 6.93 -0.30 3.68 3.84 -0.25 -0.52 114.94 130.55 1ckr s ASN 485 Ca 0.37 -2.68 -0.22 0.00 0.21 0.00 0.00 52.86 50.54 1ckr s ASN 485 Cb -0.10 -2.41 -0.01 0.00 -0.55 0.00 0.00 41.25 38.18 1ckr s ASN 485 CO 0.25 -0.86 0.70 -0.69 -2.79 0.00 0.00 177.10 173.72 1ckr s VAL 486 N 2.03 4.88 0.28 -5.21 1.01 0.05 -1.91 120.40 121.52 1ckr s VAL 486 Ca 0.40 1.03 0.09 0.00 0.00 0.00 0.00 61.98 63.51 1ckr s VAL 486 Cb -0.03 -4.06 -0.04 0.00 0.00 0.00 0.00 36.38 32.24 1ckr s VAL 486 CO -0.03 -0.18 0.01 -0.55 0.00 0.00 0.00 175.10 174.36 1ckr s SER 487 N 1.61 4.51 -0.05 3.32 0.15 0.10 -1.31 113.70 122.03 1ckr s SER 487 Ca 0.29 -0.70 -0.02 0.00 0.70 0.00 0.00 55.95 56.22 1ckr s SER 487 Cb -0.15 -0.79 0.03 0.00 -1.71 0.00 0.00 66.02 63.40 1ckr s SER 487 CO 0.12 -0.06 0.03 0.00 1.20 0.00 0.00 173.24 174.53 1ckr s ALA 488 N -2.36 0.45 -0.14 5.45 0.00 -0.79 -0.31 121.76 124.07 1ckr s ALA 488 Ca 0.32 0.04 0.01 0.00 0.00 0.00 0.00 51.96 52.34 1ckr s ALA 488 Cb -0.05 -0.66 -0.00 0.00 0.00 0.00 0.00 23.12 22.40 1ckr s ALA 488 CO 0.20 -0.45 -0.16 0.08 0.00 0.00 0.00 175.76 175.43 1ckr s VAL 489 N 2.01 2.64 -1.16 0.00 1.01 0.29 -2.62 120.40 122.58 1ckr s VAL 489 Ca 0.04 -0.79 -0.16 0.00 0.00 0.00 0.00 61.98 61.07 1ckr s VAL 489 Cb -0.12 -2.09 0.14 0.00 0.00 0.00 0.00 36.38 34.30 1ckr s VAL 489 CO -0.04 0.53 1.43 -1.81 0.00 0.00 0.00 175.10 175.21 1ckr s ASP 490 N 0.61 6.90 0.26 3.32 1.01 0.72 -0.11 116.67 129.38 1ckr s ASP 490 Ca -0.09 -2.60 0.08 0.00 0.71 0.00 0.00 52.55 50.65 1ckr s ASP 490 Cb -0.16 -2.45 0.30 0.00 1.01 0.00 0.00 42.92 41.63 1ckr s ASP 490 CO 0.03 -0.94 1.59 0.07 0.21 0.00 0.00 175.17 176.13 1ckr h LYS 491 N 7.75 0.11 0.00 8.23 -0.00 -1.81 -1.06 116.57 129.79 1ckr h LYS 491 Ca 0.30 -0.08 -0.03 0.00 -0.00 0.00 0.00 60.65 60.84 1ckr h LYS 491 Cb 0.91 0.01 -0.00 0.00 -0.00 0.00 0.00 32.23 33.15 1ckr h LYS 491 CO 1.27 0.69 -0.14 1.03 -0.00 0.00 0.00 179.45 182.30 1ckr h SER 492 N 0.08 0.00 0.73 7.07 0.87 -1.91 -2.74 113.55 117.66 1ckr h SER 492 Ca -0.01 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 1ckr h SER 492 Cb 1.10 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.06 1ckr h SER 492 CO 0.09 0.14 -0.35 0.41 -0.53 0.00 0.00 176.83 176.58 1ckr n THR 493 N -3.57 0.07 -3.69 2.23 -1.04 -0.93 -5.03 114.28 102.31 1ckr n THR 493 Ca -0.01 -0.05 -0.31 0.00 -2.04 0.00 0.00 64.05 61.64 1ckr n THR 493 Cb 0.27 -0.05 0.04 0.00 -1.82 0.00 0.00 70.33 68.77 1ckr n THR 493 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ckr n GLY 494 N 1.47 -0.95 2.72 3.41 0.00 -0.45 -5.02 105.19 106.37 1ckr n GLY 494 Ca 0.06 0.44 -0.20 0.00 0.00 0.00 0.00 46.02 46.32 1ckr n GLY 494 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ckr s LYS 495 N -6.00 0.16 0.12 1.61 2.47 -1.03 -5.03 119.74 112.05 1ckr s LYS 495 Ca 0.45 0.13 0.06 0.00 -1.56 0.00 0.00 55.97 55.06 1ckr s LYS 495 Cb -0.16 -1.36 -0.04 0.00 -1.46 0.00 0.00 37.83 34.81 1ckr s LYS 495 CO 0.86 -0.66 -0.14 -1.83 0.16 0.00 0.00 175.35 173.74 1ckr s GLU 496 N 2.28 1.03 0.01 4.03 -1.05 -1.26 -0.20 118.70 123.54 1ckr s GLU 496 Ca 0.06 -1.25 0.04 0.00 -0.15 0.00 0.00 54.97 53.67 1ckr s GLU 496 Cb -0.16 -0.93 -0.01 0.00 -0.44 0.00 0.00 34.13 32.59 1ckr s GLU 496 CO -0.11 0.18 -0.13 -0.80 0.95 0.00 0.00 175.26 175.35 1ckr s ASN 497 N -2.46 1.52 0.00 0.83 0.01 -1.08 -4.98 114.94 108.79 1ckr s ASN 497 Ca 0.09 -0.31 -0.03 0.00 -0.71 0.00 0.00 52.86 51.90 1ckr s ASN 497 Cb -0.05 -0.14 -0.01 0.00 0.41 0.00 0.00 41.25 41.46 1ckr s ASN 497 CO 0.03 0.11 0.04 -1.59 -1.51 0.00 0.00 177.10 174.18 1ckr s LYS 498 N -0.61 0.30 -0.08 -0.60 -2.85 -1.26 -1.89 119.74 112.76 1ckr s LYS 498 Ca 0.03 -0.37 0.05 0.00 -1.00 0.00 0.00 55.97 54.69 1ckr s LYS 498 Cb -0.06 0.12 -0.01 0.00 -2.06 0.00 0.00 37.83 35.82 1ckr s LYS 498 CO 0.00 -0.06 -0.23 -1.50 0.10 0.00 0.00 175.35 173.66 1ckr s ILE 499 N -1.05 2.21 -0.46 3.79 2.07 -0.43 -4.96 121.20 122.37 1ckr s ILE 499 Ca -0.11 -1.00 -0.14 0.00 -1.41 0.00 0.00 60.65 57.99 1ckr s ILE 499 Cb -0.07 -1.83 0.07 0.00 0.13 0.00 0.00 42.46 40.77 1ckr s ILE 499 CO 0.00 0.56 0.37 -0.89 -1.91 0.00 0.00 174.94 173.07 1ckr s THR 500 N -0.01 5.02 -0.40 4.00 2.01 -1.26 -0.77 115.64 124.23 1ckr s THR 500 Ca -0.08 -1.14 -0.22 0.00 0.31 0.00 0.00 61.69 60.57 1ckr s THR 500 Cb -0.15 -4.01 0.01 0.00 0.01 0.00 0.00 72.50 68.36 1ckr s THR 500 CO 0.05 -0.56 0.70 -0.63 -0.69 0.00 0.00 174.62 173.48 1ckr s ILE 501 N 1.59 4.79 -0.18 1.82 1.01 0.32 -4.92 121.20 125.64 1ckr s ILE 501 Ca 0.04 0.47 -0.23 0.00 0.00 0.00 0.00 60.65 60.93 1ckr s ILE 501 Cb -0.24 -4.19 -0.02 0.00 0.01 0.00 0.00 42.46 38.02 1ckr s ILE 501 CO 0.06 -0.50 0.74 0.42 0.00 0.00 0.00 174.94 175.65 1ckr s THR 502 N 2.94 4.95 -1.39 2.92 -4.23 -1.26 -1.98 115.64 117.59 1ckr s THR 502 Ca 0.26 1.43 -0.13 0.00 -1.18 0.00 0.00 61.69 62.07 1ckr s THR 502 Cb -0.14 -4.05 0.08 0.00 1.34 0.00 0.00 72.50 69.74 1ckr s THR 502 CO 0.18 0.07 2.07 -3.20 -0.54 0.00 0.00 174.62 173.20 1ckr n ASN 503 N 5.10 4.33 -0.13 3.99 2.85 -1.26 -4.41 115.26 125.73 1ckr n ASN 503 Ca 0.02 -2.93 -0.22 0.00 -0.11 0.00 0.00 54.58 51.34 1ckr n ASN 503 Cb 0.49 -1.61 -0.11 0.00 1.24 0.00 0.00 39.78 39.79 1ckr n ASN 503 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 1ckr n ASP 504 N 5.62 1.97 -4.39 1.20 2.03 -1.26 -4.71 116.55 117.02 1ckr n ASP 504 Ca 0.48 0.01 -0.45 0.00 0.52 0.00 0.00 54.79 55.35 1ckr n ASP 504 Cb 0.39 -0.54 -0.01 0.00 -0.72 0.00 0.00 41.12 40.24 1ckr n ASP 504 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1ckr s LYS 505 N -2.52 3.93 0.00 -0.67 1.02 -1.26 -4.50 119.74 115.74 1ckr s LYS 505 Ca -0.36 -2.61 0.00 0.00 0.02 0.00 0.00 55.97 53.02 1ckr s LYS 505 Cb 0.11 -4.73 0.00 0.00 -0.52 0.00 0.00 37.83 32.69 1ckr s LYS 505 CO 0.56 -1.49 0.00 0.41 -0.92 0.00 0.00 175.35 173.92 1ckr n GLY 506 N 3.87 -1.26 4.70 -3.33 0.00 -1.26 -4.73 105.19 103.19 1ckr n GLY 506 Ca 0.25 0.56 0.00 0.00 0.00 0.00 0.00 46.02 46.83 1ckr n GLY 506 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ckr n ARG 506 N -0.09 0.00 0.00 1.61 3.00 -1.26 -4.90 116.66 115.02 1ckr n ARG 506 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 1ckr n ARG 506 Cb 0.00 -2.78 0.00 0.00 0.00 0.00 0.00 32.46 29.68 1ckr n ARG 506 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.63 179.10 1ckr n LEU 507 N 0.00 0.00 0.00 0.55 -0.00 -1.26 -4.85 117.00 111.44 1ckr n LEU 507 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1ckr n LEU 507 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1ckr n LEU 507 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 177.39 177.15 1ckr n SER 508 N -1.45 0.00 -0.13 1.45 2.88 -1.26 -2.81 113.62 112.30 1ckr n SER 508 Ca 0.00 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.49 1ckr n SER 508 Cb 0.00 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 63.50 1ckr n SER 508 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 1ckr h LYS 509 N 0.00 0.32 0.01 -1.46 -0.00 -2.00 -2.78 116.57 110.66 1ckr h LYS 509 Ca 0.00 -0.02 -0.00 0.00 -0.00 0.00 0.00 60.65 60.63 1ckr h LYS 509 Cb 0.00 -0.07 0.00 0.00 -0.00 0.00 0.00 32.23 32.16 1ckr h LYS 509 CO 0.00 0.21 -0.00 1.05 -0.00 0.00 0.00 179.45 180.71 1ckr h GLU 510 N 0.33 -0.01 -0.33 0.07 4.11 -1.98 -2.65 114.58 114.12 1ckr h GLU 510 Ca 0.20 0.00 -0.15 0.00 0.07 0.00 0.00 59.36 59.48 1ckr h GLU 510 Cb 0.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1ckr h GLU 510 CO -0.20 0.50 -0.38 -0.44 0.07 0.00 0.00 179.01 178.57 1ckr h ASP 511 N -0.53 0.82 0.36 3.06 3.32 -1.58 -1.85 116.42 120.03 1ckr h ASP 511 Ca -0.00 -0.36 -0.02 0.00 0.02 0.00 0.00 57.03 56.67 1ckr h ASP 511 Cb 0.51 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.84 1ckr h ASP 511 CO 0.00 1.11 -0.17 0.40 -1.72 0.00 0.00 179.24 178.86 1ckr h ILE 512 N 0.64 0.50 -0.72 0.35 5.03 -1.65 -1.85 117.51 119.81 1ckr h ILE 512 Ca 0.06 -0.66 0.15 0.00 -0.12 0.00 0.00 64.86 64.29 1ckr h ILE 512 Cb 0.93 0.76 -0.11 0.00 -3.03 0.00 0.00 36.82 35.37 1ckr h ILE 512 CO 0.09 0.10 0.17 -0.08 -0.68 0.00 0.00 178.15 177.74 1ckr h GLU 513 N -0.92 0.25 -0.05 2.37 4.57 -1.53 -1.71 114.58 117.56 1ckr h GLU 513 Ca -0.05 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.10 1ckr h GLU 513 Cb 0.53 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 29.07 1ckr h GLU 513 CO 0.08 0.17 -0.04 0.07 -1.18 0.00 0.00 179.01 178.11 1ckr h ARG 514 N 0.26 0.11 0.00 1.92 0.11 -1.43 -3.38 114.38 111.97 1ckr h ARG 514 Ca 0.40 -0.06 -0.21 0.00 0.10 0.00 0.00 59.98 60.22 1ckr h ARG 514 Cb 0.68 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.73 1ckr h ARG 514 CO -0.50 0.56 -1.15 0.52 0.10 0.00 0.00 179.97 179.49 1ckr h MET 515 N -0.33 0.00 0.00 0.08 2.86 -1.24 -3.41 114.93 112.89 1ckr h MET 515 Ca 0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1ckr h MET 515 Cb 0.54 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.20 1ckr h MET 515 CO 0.01 0.97 0.00 1.55 1.06 0.00 0.00 176.91 180.50 1ckr n VAL 516 N -4.45 0.63 -0.01 -2.22 3.14 -0.65 -0.19 118.33 114.58 1ckr n VAL 516 Ca -0.30 -0.17 -0.17 0.00 -2.96 0.00 0.00 64.34 60.75 1ckr n VAL 516 Cb 0.66 -0.71 -0.06 0.00 -1.06 0.00 0.00 33.84 32.67 1ckr n VAL 516 CO 0.00 0.00 0.00 1.56 -6.46 0.00 0.00 176.83 171.93 1ckr h GLN 517 N 0.00 0.75 0.00 1.45 4.20 -1.74 -3.19 115.11 116.58 1ckr h GLN 517 Ca 0.00 -0.63 0.00 0.00 0.06 0.00 0.00 58.65 58.08 1ckr h GLN 517 Cb 0.65 0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.57 1ckr h GLN 517 CO 0.00 1.23 -0.42 -0.85 -0.67 0.00 0.00 178.83 178.12 1ckr n GLU 518 N -3.92 0.26 0.00 1.46 0.28 -1.20 -4.18 120.64 113.34 1ckr n GLU 518 Ca -0.07 0.12 0.00 0.00 -0.16 0.00 0.00 57.16 57.04 1ckr n GLU 518 Cb 0.76 -1.71 0.00 0.00 1.43 0.00 0.00 31.44 31.92 1ckr n GLU 518 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1ckr n ALA 519 N -1.79 0.00 -0.39 -1.84 0.00 0.74 -3.97 120.51 113.27 1ckr n ALA 519 Ca 0.04 0.00 0.32 0.00 0.00 0.00 0.00 53.44 53.81 1ckr n ALA 519 Cb 0.43 0.00 0.59 0.00 0.00 0.00 0.00 19.45 20.47 1ckr n ALA 519 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1ckr h GLU 520 N 0.00 0.12 0.00 0.00 -0.00 -1.81 0.24 114.58 113.13 1ckr h GLU 520 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 59.36 59.35 1ckr h GLU 520 Cb 0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 28.75 28.72 1ckr h GLU 520 CO 0.00 0.08 0.00 1.17 -0.00 0.00 0.00 179.01 180.26 1ckr n LYS 521 N -4.91 0.00 0.00 1.06 0.00 -1.25 -2.57 118.16 110.49 1ckr n LYS 521 Ca 0.36 0.15 0.01 0.00 0.00 0.00 0.00 58.31 58.82 1ckr n LYS 521 Cb 1.29 -1.08 0.03 0.00 0.00 0.00 0.00 35.03 35.27 1ckr n LYS 521 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.40 178.38 1ckr n TYR 522 N -0.82 0.00 -0.03 5.64 4.19 -0.39 -2.64 117.16 123.09 1ckr n TYR 522 Ca 0.00 0.00 -0.08 0.00 3.31 0.00 0.00 57.90 61.13 1ckr n TYR 522 Cb 0.00 0.00 -0.03 0.00 0.49 0.00 0.00 39.34 39.80 1ckr n TYR 522 CO 0.00 0.00 0.00 1.17 0.91 0.00 0.00 176.86 178.94 1ckr n LYS 523 N -0.53 0.26 0.29 2.98 4.81 0.71 -0.92 118.16 125.75 1ckr n LYS 523 Ca 0.01 0.11 0.17 0.00 -0.87 0.00 0.00 58.31 57.73 1ckr n LYS 523 Cb 0.00 -0.94 0.96 0.00 0.02 0.00 0.00 35.03 35.07 1ckr n LYS 523 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1ckr h ALA 524 N -0.47 1.48 0.04 3.14 0.00 -1.58 -0.11 119.26 121.76 1ckr h ALA 524 Ca -0.12 -0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.57 1ckr h ALA 524 Cb 0.76 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1ckr h ALA 524 CO -0.07 -0.08 -1.05 1.49 0.00 0.00 0.00 179.25 179.54 1ckr h GLU 525 N 0.00 0.10 0.00 0.00 4.81 -1.69 -2.83 114.58 114.96 1ckr h GLU 525 Ca 0.02 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 1ckr h GLU 525 Cb 0.14 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.57 1ckr h GLU 525 CO -0.00 1.05 0.12 -3.47 -0.73 0.00 0.00 179.01 175.98 1ckr n ASP 526 N -3.45 0.26 -1.47 1.04 -0.08 -0.10 -4.84 116.55 107.91 1ckr n ASP 526 Ca -0.03 0.55 0.00 0.00 -1.51 0.00 0.00 54.79 53.80 1ckr n ASP 526 Cb 0.94 -0.56 0.00 0.00 2.34 0.00 0.00 41.12 43.84 1ckr n ASP 526 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1ckr n GLU 527 N -1.83 0.00 -3.33 -0.67 -0.58 -0.94 -4.00 120.64 109.30 1ckr n GLU 527 Ca -0.01 0.20 -0.15 0.00 -0.42 0.00 0.00 57.16 56.78 1ckr n GLU 527 Cb 0.13 -1.47 0.04 0.00 -0.57 0.00 0.00 31.44 29.57 1ckr n GLU 527 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1ckr n LYS 528 N -1.27 -1.67 0.00 3.49 4.01 -1.17 -4.85 118.16 116.70 1ckr n LYS 528 Ca 0.00 0.96 0.00 0.00 -0.51 0.00 0.00 58.31 58.76 1ckr n LYS 528 Cb 0.49 -5.16 0.00 0.00 -0.51 0.00 0.00 35.03 29.85 1ckr n LYS 528 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1ckr n GLN 529 N -2.95 0.00 -0.26 1.97 0.00 -1.01 -0.30 117.38 114.83 1ckr n GLN 529 Ca -0.07 0.00 0.08 0.00 0.00 0.00 0.00 57.00 57.01 1ckr n GLN 529 Cb 0.58 0.00 0.23 0.00 0.00 0.00 0.00 30.24 31.05 1ckr n GLN 529 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 1ckr n ARG 530 N -0.30 2.77 -0.12 2.61 5.12 -1.26 -4.63 116.66 120.85 1ckr n ARG 530 Ca 0.00 -2.31 -0.02 0.00 -1.93 0.00 0.00 57.85 53.59 1ckr n ARG 530 Cb 0.00 -1.41 0.22 0.00 -1.16 0.00 0.00 32.46 30.11 1ckr n ARG 530 CO 0.00 0.00 0.00 0.22 -1.93 0.00 0.00 177.63 175.92 1ckr h ASP 531 N 3.08 0.74 -0.49 0.55 3.58 -0.93 -3.35 116.42 119.59 1ckr h ASP 531 Ca 0.00 -0.12 -0.59 0.00 0.42 0.00 0.00 57.03 56.74 1ckr h ASP 531 Cb 0.85 -0.19 -0.05 0.00 1.72 0.00 0.00 39.33 41.66 1ckr h ASP 531 CO 0.00 0.71 2.08 2.29 -2.88 0.00 0.00 179.24 181.44 1ckr n LYS 532 N -4.30 2.50 -4.09 0.28 -0.00 -1.23 -4.18 118.16 107.14 1ckr n LYS 532 Ca 0.04 -2.77 -0.14 0.00 -0.00 0.00 0.00 58.31 55.44 1ckr n LYS 532 Cb 0.20 -3.45 -0.12 0.00 -0.00 0.00 0.00 35.03 31.66 1ckr n LYS 532 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1ckr s VAL 533 N 5.97 0.67 0.00 0.58 0.11 -0.71 -4.99 120.40 122.03 1ckr s VAL 533 Ca 0.57 -1.10 0.00 0.00 -2.93 0.00 0.00 61.98 58.52 1ckr s VAL 533 Cb 0.06 -0.70 0.00 0.00 -1.53 0.00 0.00 36.38 34.20 1ckr s VAL 533 CO 0.07 -0.33 0.00 -0.24 -3.33 0.00 0.00 175.10 171.27 1ckr n SER 534 N 1.48 0.00 0.05 3.54 2.88 -1.26 -2.26 113.62 118.05 1ckr n SER 534 Ca -0.22 0.00 -0.22 0.00 -1.33 0.00 0.00 58.87 57.10 1ckr n SER 534 Cb 0.55 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.86 1ckr n SER 534 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1ckr h SER 535 N 0.00 0.52 0.00 -3.46 0.87 -1.90 -3.49 113.55 106.09 1ckr h SER 535 Ca 0.00 -0.90 0.00 0.00 -1.23 0.00 0.00 61.79 59.66 1ckr h SER 535 Cb 0.00 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 61.79 1ckr h SER 535 CO 0.00 1.67 0.00 1.17 -0.53 0.00 0.00 176.83 179.14 1ckr n LYS 536 N -3.80 0.00 -3.19 2.24 0.00 -0.96 -4.91 118.16 107.54 1ckr n LYS 536 Ca -0.23 0.00 -0.22 0.00 0.00 0.00 0.00 58.31 57.86 1ckr n LYS 536 Cb 0.98 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 35.95 1ckr n LYS 536 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1ckr n ASN 537 N -1.79 0.52 -4.75 3.14 3.02 -1.23 -1.73 115.26 112.43 1ckr n ASN 537 Ca 0.00 -2.83 -0.22 0.00 -0.03 0.00 0.00 54.58 51.50 1ckr n ASN 537 Cb 0.00 -0.63 -0.06 0.00 -0.61 0.00 0.00 39.78 38.48 1ckr n ASN 537 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1ckr s SER 538 N -1.66 4.95 -0.45 6.41 1.04 -1.20 -0.19 113.70 122.59 1ckr s SER 538 Ca 0.37 -0.57 0.07 0.00 0.48 0.00 0.00 55.95 56.31 1ckr s SER 538 Cb 0.23 -0.96 0.24 0.00 0.10 0.00 0.00 66.02 65.63 1ckr s SER 538 CO -0.10 -0.16 0.56 0.00 0.98 0.00 0.00 173.24 174.52 1ckr n LEU 539 N -1.12 1.00 0.00 2.42 -0.00 -1.25 -4.07 117.00 113.98 1ckr n LEU 539 Ca -0.05 -4.85 0.00 0.00 -0.00 0.00 0.00 56.01 51.11 1ckr n LEU 539 Cb 0.60 0.31 0.00 0.00 -0.00 0.00 0.00 43.42 44.32 1ckr n LEU 539 CO 0.42 2.05 0.11 -1.84 -0.00 0.00 0.00 177.39 178.12