#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 -2.73 1.43 1.02 -1.26 -4.72 120.64 114.38 1ckr n GLU 384 Ca 0.00 0.00 -0.22 0.00 -0.02 0.00 0.00 57.16 56.92 1ckr n GLU 384 Cb 0.00 0.00 0.09 0.00 -0.02 0.00 0.00 31.44 31.51 1ckr n GLU 384 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1ckr s ASN 385 N 0.00 4.67 -1.37 1.62 2.20 -1.26 -5.01 114.94 115.80 1ckr s ASN 385 Ca 0.00 -0.47 -0.09 0.00 -0.94 0.00 0.00 52.86 51.36 1ckr s ASN 385 Cb 0.00 -0.02 -0.07 0.00 -2.00 0.00 0.00 41.25 39.16 1ckr s ASN 385 CO 0.00 -1.63 2.62 1.33 -2.94 0.00 0.00 177.10 176.48 1ckr n VAL 386 N -2.60 3.59 -3.51 3.54 0.24 -1.26 -4.69 118.33 113.64 1ckr n VAL 386 Ca 0.14 -2.21 -0.29 0.00 -2.04 0.00 0.00 64.34 59.94 1ckr n VAL 386 Cb 0.61 -2.45 -0.13 0.00 -1.47 0.00 0.00 33.84 30.40 1ckr n VAL 386 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1ckr s GLN 387 N 2.71 0.54 0.00 7.34 -0.21 -1.26 -4.92 119.66 123.87 1ckr s GLN 387 Ca 0.58 -1.20 0.00 0.00 0.02 0.00 0.00 55.36 54.76 1ckr s GLN 387 Cb 0.15 -1.39 0.00 0.00 1.00 0.00 0.00 33.01 32.77 1ckr s GLN 387 CO -0.05 -1.15 0.00 -0.40 -2.12 0.00 0.00 175.29 171.57 1ckr n ASP 388 N 4.30 0.00 -4.82 5.90 5.68 -1.26 -0.83 116.55 125.51 1ckr n ASP 388 Ca 0.07 0.00 -0.34 0.00 -0.50 0.00 0.00 54.79 54.02 1ckr n ASP 388 Cb 0.38 0.15 -0.06 0.00 -1.14 0.00 0.00 41.12 40.45 1ckr n ASP 388 CO 0.00 0.00 0.00 -1.48 -1.33 0.00 0.00 177.20 174.39 1ckr s LEU 389 N -2.88 4.13 -0.85 -2.12 0.05 -1.26 -5.02 118.68 110.72 1ckr s LEU 389 Ca 0.00 1.50 -0.21 0.00 0.05 0.00 0.00 54.13 55.47 1ckr s LEU 389 Cb 0.00 -4.09 0.09 0.00 -2.05 0.00 0.00 46.19 40.14 1ckr s LEU 389 CO 0.00 -0.18 1.14 -0.76 -0.55 0.00 0.00 176.35 176.01 1ckr s LEU 390 N -2.69 4.48 -0.89 1.48 1.43 -1.26 -4.98 118.68 116.25 1ckr s LEU 390 Ca 0.53 -1.54 -0.23 0.00 -1.03 0.00 0.00 54.13 51.86 1ckr s LEU 390 Cb -0.12 -2.44 0.06 0.00 0.03 0.00 0.00 46.19 43.72 1ckr s LEU 390 CO 0.18 -1.30 1.28 -0.22 0.23 0.00 0.00 176.35 176.52 1ckr s LEU 391 N 3.67 3.83 -0.39 1.79 0.20 -1.26 -4.96 118.68 121.56 1ckr s LEU 391 Ca 0.32 -1.26 0.02 0.00 0.69 0.00 0.00 54.13 53.90 1ckr s LEU 391 Cb -0.08 -2.51 0.12 0.00 -0.43 0.00 0.00 46.19 43.29 1ckr s LEU 391 CO -0.02 -1.50 0.16 -0.76 -0.29 0.00 0.00 176.35 173.94 1ckr s LEU 392 N 4.60 3.13 -1.27 -0.68 1.43 -1.26 -5.05 118.68 119.59 1ckr s LEU 392 Ca 0.38 -2.28 -0.16 0.00 -1.03 0.00 0.00 54.13 51.03 1ckr s LEU 392 Cb -0.05 -1.17 0.11 0.00 0.03 0.00 0.00 46.19 45.11 1ckr s LEU 392 CO -0.01 -0.33 1.63 -1.81 0.23 0.00 0.00 176.35 176.06 1ckr s ASP 393 N 0.76 6.93 -0.11 2.29 1.01 -1.26 -5.00 116.67 121.29 1ckr s ASP 393 Ca 0.14 -2.65 -0.07 0.00 0.71 0.00 0.00 52.55 50.67 1ckr s ASP 393 Cb -0.21 -2.52 -0.04 0.00 1.01 0.00 0.00 42.92 41.16 1ckr s ASP 393 CO -0.09 -1.01 0.15 0.68 0.21 0.00 0.00 175.17 175.11 1ckr s VAL 394 N 3.26 5.49 0.03 -1.27 -7.23 -1.26 -2.02 120.40 117.39 1ckr s VAL 394 Ca 0.50 0.23 -0.18 0.00 -1.81 0.00 0.00 61.98 60.72 1ckr s VAL 394 Cb 0.02 -3.42 -0.06 0.00 0.56 0.00 0.00 36.38 33.48 1ckr s VAL 394 CO 0.05 0.61 0.51 0.28 -0.31 0.00 0.00 175.10 176.24 1ckr s THR 395 N -1.04 4.88 0.57 5.32 -1.32 -0.69 -4.85 115.64 118.51 1ckr s THR 395 Ca 0.16 1.07 0.27 0.00 -1.21 0.00 0.00 61.69 61.97 1ckr s THR 395 Cb -0.12 -3.83 0.33 0.00 -1.51 0.00 0.00 72.50 67.37 1ckr s THR 395 CO 0.05 0.54 2.23 1.55 -2.21 0.00 0.00 174.62 176.77 1ckr h PRO 396 N 4.83 0.00 -6.06 7.08 0.13 -1.94 -2.67 132.00 133.37 1ckr h PRO 396 Ca -0.49 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.04 1ckr h PRO 396 Cb 1.21 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.20 1ckr h PRO 396 CO 0.64 0.01 -0.73 -1.17 -0.23 0.00 0.00 178.00 176.52 1ckr s LEU 397 N -7.90 2.62 -0.38 1.56 2.96 -1.26 -2.83 118.68 113.44 1ckr s LEU 397 Ca -0.05 -1.08 -0.23 0.00 -0.22 0.00 0.00 54.13 52.55 1ckr s LEU 397 Cb 0.15 -1.02 0.01 0.00 0.50 0.00 0.00 46.19 45.84 1ckr s LEU 397 CO 0.57 -0.06 0.77 -0.94 -1.32 0.00 0.00 176.35 175.37 1ckr s SER 398 N -3.52 6.51 -0.24 3.68 1.04 -1.18 -4.52 113.70 115.46 1ckr s SER 398 Ca 0.30 0.22 -0.13 0.00 0.48 0.00 0.00 55.95 56.82 1ckr s SER 398 Cb -0.02 -2.39 -0.04 0.00 0.10 0.00 0.00 66.02 63.67 1ckr s SER 398 CO 0.15 -0.76 0.28 -0.76 0.98 0.00 0.00 173.24 173.13 1ckr s LEU 399 N 3.10 4.10 0.00 2.42 1.43 -1.26 -3.49 118.68 124.99 1ckr s LEU 399 Ca 0.30 0.27 0.00 0.00 -1.03 0.00 0.00 54.13 53.67 1ckr s LEU 399 Cb -0.13 -2.30 0.00 0.00 0.03 0.00 0.00 46.19 43.78 1ckr s LEU 399 CO 0.18 -0.04 0.00 0.61 0.23 0.00 0.00 176.35 177.33 1ckr n GLY 400 N 4.33 5.20 3.33 -3.19 0.00 -1.10 -4.38 105.19 109.38 1ckr n GLY 400 Ca -0.11 -1.49 -0.28 0.00 0.00 0.00 0.00 46.02 44.14 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 -1.00 2.04 -0.18 -0.61 -4.36 -1.16 -1.87 121.20 114.07 1ckr s ILE 401 Ca 0.00 -1.48 -0.19 0.00 -0.26 0.00 0.00 60.65 58.71 1ckr s ILE 401 Cb 0.00 -1.78 -0.03 0.00 1.25 0.00 0.00 42.46 41.90 1ckr s ILE 401 CO 0.00 0.21 0.56 -0.70 0.24 0.00 0.00 174.94 175.24 1ckr s GLU 402 N -1.55 4.24 0.00 0.37 -6.30 0.64 -3.21 118.70 112.88 1ckr s GLU 402 Ca 0.11 0.51 0.00 0.00 -2.50 0.00 0.00 54.97 53.09 1ckr s GLU 402 Cb -0.10 -3.54 0.00 0.00 0.00 0.00 0.00 34.13 30.49 1ckr s GLU 402 CO 0.03 -0.11 0.00 0.25 0.02 0.00 0.00 175.26 175.45 1ckr n THR 403 N 4.40 0.00 -0.01 -1.70 -2.24 0.13 -2.72 114.28 112.13 1ckr n THR 403 Ca -0.04 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.74 1ckr n THR 403 Cb 0.50 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.73 1ckr n THR 403 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ckr h ALA 404 N 1.00 -0.17 -1.04 6.98 0.00 -1.73 -2.27 119.26 122.03 1ckr h ALA 404 Ca 0.00 0.00 -0.70 0.00 0.00 0.00 0.00 54.91 54.21 1ckr h ALA 404 Cb 0.00 0.88 -0.31 0.00 0.00 0.00 0.00 17.79 18.36 1ckr h ALA 404 CO 0.00 -0.18 0.66 0.41 0.00 0.00 0.00 179.25 180.13 1ckr n GLY 405 N -1.01 5.76 2.45 0.00 0.00 -1.26 -4.64 105.19 106.49 1ckr n GLY 405 Ca -0.00 -2.47 -0.17 0.00 0.00 0.00 0.00 46.02 43.38 1ckr n GLY 405 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ckr n GLY 406 N -0.67 1.19 0.45 -0.02 0.00 -0.86 -4.88 105.19 100.40 1ckr n GLY 406 Ca 0.55 -0.20 -0.02 0.00 0.00 0.00 0.00 46.02 46.34 1ckr n GLY 406 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1ckr n VAL 407 N -2.88 0.00 -4.21 1.61 0.24 -1.26 -3.83 118.33 108.00 1ckr n VAL 407 Ca -0.18 -0.23 -0.14 0.00 -2.04 0.00 0.00 64.34 61.75 1ckr n VAL 407 Cb 0.58 -0.79 -0.09 0.00 -1.47 0.00 0.00 33.84 32.07 1ckr n VAL 407 CO 0.00 0.00 0.00 -0.32 -2.14 0.00 0.00 176.83 174.37 1ckr s MET 408 N -2.29 1.38 -0.02 7.34 1.75 -1.24 0.17 119.30 126.39 1ckr s MET 408 Ca 0.06 -1.71 0.00 0.00 -1.25 0.00 0.00 55.69 52.79 1ckr s MET 408 Cb -0.00 0.30 0.02 0.00 2.84 0.00 0.00 34.83 37.99 1ckr s MET 408 CO 0.04 -0.48 0.02 0.99 -0.65 0.00 0.00 175.02 174.93 1ckr s THR 409 N -3.94 0.02 -0.28 10.11 2.01 -1.20 -2.91 115.64 119.46 1ckr s THR 409 Ca 0.38 0.14 0.03 0.00 0.31 0.00 0.00 61.69 62.55 1ckr s THR 409 Cb 0.05 -0.12 0.07 0.00 0.01 0.00 0.00 72.50 72.51 1ckr s THR 409 CO 0.16 0.09 -0.06 0.54 -0.69 0.00 0.00 174.62 174.66 1ckr s VAL 410 N 0.84 2.21 -0.29 3.82 0.11 -1.26 -2.98 120.40 122.85 1ckr s VAL 410 Ca -0.07 -1.84 0.23 0.00 -2.93 0.00 0.00 61.98 57.37 1ckr s VAL 410 Cb -0.11 -2.40 0.29 0.00 -1.53 0.00 0.00 36.38 32.63 1ckr s VAL 410 CO -0.02 -0.19 1.64 0.17 -3.33 0.00 0.00 175.10 173.36 1ckr h LEU 411 N 7.73 0.00 0.00 2.54 8.10 -1.99 -3.47 115.31 128.22 1ckr h LEU 411 Ca -0.15 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.84 1ckr h LEU 411 Cb 1.03 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.25 1ckr h LEU 411 CO 0.48 0.10 0.00 -0.38 -4.11 0.00 0.00 178.44 174.53 1ckr n ILE 412 N -3.14 0.00 -3.59 0.15 2.08 -1.26 -5.02 119.36 108.58 1ckr n ILE 412 Ca 0.03 0.00 -0.10 0.00 0.56 0.00 0.00 62.75 63.24 1ckr n ILE 412 Cb 0.54 -1.69 -0.02 0.00 -0.75 0.00 0.00 39.64 37.71 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 -0.74 1.47 0.32 0.38 0.00 -1.26 -4.91 119.74 114.99 1ckr s LYS 413 Ca 0.00 -0.67 -0.27 0.00 0.00 0.00 0.00 55.97 55.03 1ckr s LYS 413 Cb 0.00 0.59 -0.10 0.00 0.00 0.00 0.00 37.83 38.33 1ckr s LYS 413 CO 0.00 -0.66 0.96 -0.98 0.00 0.00 0.00 175.35 174.67 1ckr s ARG 414 N -3.82 4.59 -1.25 1.78 1.70 -1.26 -3.13 118.95 117.56 1ckr s ARG 414 Ca 0.05 1.39 -0.03 0.00 -0.47 0.00 0.00 55.73 56.67 1ckr s ARG 414 Cb -0.03 -2.87 -0.01 0.00 -0.57 0.00 0.00 34.95 31.48 1ckr s ARG 414 CO -0.05 0.28 0.75 0.09 -1.08 0.00 0.00 175.30 175.28 1ckr n ASN 415 N 0.67 -2.22 -4.69 -2.89 3.02 -1.06 -4.95 115.26 103.14 1ckr n ASN 415 Ca 0.01 -0.82 -0.40 0.00 -0.03 0.00 0.00 54.58 53.34 1ckr n ASN 415 Cb 0.49 -4.16 -0.05 0.00 -0.61 0.00 0.00 39.78 35.45 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 -3.60 4.97 -1.10 3.41 -1.32 -1.03 -4.81 115.64 112.16 1ckr s THR 416 Ca 0.10 1.47 -0.22 0.00 -1.21 0.00 0.00 61.69 61.83 1ckr s THR 416 Cb -0.03 -4.06 -0.02 0.00 -1.51 0.00 0.00 72.50 66.89 1ckr s THR 416 CO 0.81 0.13 1.81 -0.89 -2.21 0.00 0.00 174.62 174.26 1ckr s THR 417 N 1.56 3.71 0.54 5.08 2.01 -1.26 -1.70 115.64 125.59 1ckr s THR 417 Ca 0.36 -0.96 -0.17 0.00 0.31 0.00 0.00 61.69 61.23 1ckr s THR 417 Cb -0.17 -4.65 -0.06 0.00 0.01 0.00 0.00 72.50 67.63 1ckr s THR 417 CO 0.14 -1.38 1.03 0.27 -0.69 0.00 0.00 174.62 173.99 1ckr s ILE 418 N 8.19 4.03 0.50 1.82 -4.36 -0.86 -4.53 121.20 126.00 1ckr s ILE 418 Ca 0.62 1.03 -0.22 0.00 -0.26 0.00 0.00 60.65 61.82 1ckr s ILE 418 Cb -0.01 -3.50 -0.06 0.00 1.25 0.00 0.00 42.46 40.14 1ckr s ILE 418 CO 0.04 -0.50 1.19 -2.16 0.24 0.00 0.00 174.94 173.75 1ckr s PRO 419 N -3.89 3.51 -0.16 0.37 0.04 -1.26 -4.61 135.00 129.01 1ckr s PRO 419 Ca 0.63 1.83 -0.08 0.00 0.04 0.00 0.00 61.00 63.41 1ckr s PRO 419 Cb -0.14 -2.27 0.06 0.00 0.04 0.00 0.00 34.50 32.19 1ckr s PRO 419 CO 0.31 -0.77 0.38 -0.08 0.04 0.00 0.00 177.00 176.88 1ckr s THR 420 N -1.55 -0.04 -0.59 1.26 -1.32 -1.09 -4.95 115.64 107.36 1ckr s THR 420 Ca 0.68 0.11 -0.10 0.00 -1.21 0.00 0.00 61.69 61.17 1ckr s THR 420 Cb -0.30 -0.56 0.15 0.00 -1.51 0.00 0.00 72.50 70.28 1ckr s THR 420 CO 0.35 0.04 0.48 -0.75 -2.21 0.00 0.00 174.62 172.53 1ckr s LYS 421 N 1.40 2.80 -0.24 7.08 2.20 -1.25 -0.95 119.74 130.80 1ckr s LYS 421 Ca -0.09 -2.08 -0.07 0.00 -0.36 0.00 0.00 55.97 53.36 1ckr s LYS 421 Cb -0.09 -4.04 -0.03 0.00 -1.51 0.00 0.00 37.83 32.16 1ckr s LYS 421 CO -0.12 -1.23 0.07 -0.65 -0.36 0.00 0.00 175.35 173.07 1ckr s GLN 422 N 0.82 3.72 -0.49 4.03 -0.21 -0.44 -4.92 119.66 122.17 1ckr s GLN 422 Ca 0.11 -0.45 -0.14 0.00 0.02 0.00 0.00 55.36 54.90 1ckr s GLN 422 Cb -0.22 -3.31 0.10 0.00 1.00 0.00 0.00 33.01 30.59 1ckr s GLN 422 CO -0.03 -0.10 0.40 0.95 -2.12 0.00 0.00 175.29 174.40 1ckr s THR 423 N 1.37 4.88 -0.28 -0.19 -4.23 -1.26 -0.80 115.64 115.13 1ckr s THR 423 Ca 0.05 -1.40 -0.09 0.00 -1.18 0.00 0.00 61.69 59.06 1ckr s THR 423 Cb -0.15 -4.06 -0.03 0.00 1.34 0.00 0.00 72.50 69.61 1ckr s THR 423 CO 0.04 -0.71 0.14 -1.58 -0.54 0.00 0.00 174.62 171.97 1ckr s GLN 424 N 1.54 3.64 -0.38 3.99 2.00 -1.04 -4.99 119.66 124.41 1ckr s GLN 424 Ca 0.04 -0.51 -0.24 0.00 -2.00 0.00 0.00 55.36 52.64 1ckr s GLN 424 Cb -0.26 -3.53 0.01 0.00 0.80 0.00 0.00 33.01 30.03 1ckr s GLN 424 CO 0.03 -0.27 0.84 0.99 -0.50 0.00 0.00 175.29 176.38 1ckr s THR 425 N 1.66 4.65 0.16 -0.34 2.01 -1.26 -1.24 115.64 121.28 1ckr s THR 425 Ca 0.06 0.91 -0.02 0.00 0.31 0.00 0.00 61.69 62.95 1ckr s THR 425 Cb -0.16 -4.28 -0.05 0.00 0.01 0.00 0.00 72.50 68.02 1ckr s THR 425 CO 0.07 -0.54 0.36 -0.36 -0.69 0.00 0.00 174.62 173.46 1ckr s PHE 426 N 3.30 3.48 0.00 4.92 0.40 0.51 -4.96 117.98 125.64 1ckr s PHE 426 Ca 0.34 0.41 0.00 0.00 -0.60 0.00 0.00 56.93 57.07 1ckr s PHE 426 Cb -0.12 -1.89 0.00 0.00 0.51 0.00 0.00 43.02 41.51 1ckr s PHE 426 CO 0.19 0.43 0.00 -2.37 0.70 0.00 0.00 175.22 174.17 1ckr n THR 427 N -0.24 0.00 -4.30 0.64 5.66 0.12 -0.14 114.28 116.02 1ckr n THR 427 Ca -0.04 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.72 1ckr n THR 427 Cb 0.53 -0.58 -0.13 0.00 -1.55 0.00 0.00 70.33 68.60 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 1.72 1.73 -0.09 1.09 -4.23 -0.61 -4.30 115.64 110.95 1ckr s THR 428 Ca 0.00 -1.54 -0.18 0.00 -1.18 0.00 0.00 61.69 58.79 1ckr s THR 428 Cb 0.00 -1.57 -0.28 0.00 1.34 0.00 0.00 72.50 71.99 1ckr s THR 428 CO 0.00 -0.05 0.64 0.22 -0.54 0.00 0.00 174.62 174.89 1ckr h TYR 429 N 4.09 0.44 -4.02 3.99 3.20 -1.91 -2.77 116.97 119.99 1ckr h TYR 429 Ca -0.46 -0.32 -0.45 0.00 3.14 0.00 0.00 58.73 60.63 1ckr h TYR 429 Cb 1.18 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 39.42 1ckr h TYR 429 CO 0.61 1.47 0.35 -1.12 -1.64 0.00 0.00 178.16 177.83 1ckr s SER 430 N -6.99 6.95 -0.19 -2.11 0.01 -1.26 -4.64 113.70 105.47 1ckr s SER 430 Ca -0.18 1.76 -0.29 0.00 1.31 0.00 0.00 55.95 58.54 1ckr s SER 430 Cb 0.03 -2.55 -0.03 0.00 0.21 0.00 0.00 66.02 63.68 1ckr s SER 430 CO 0.78 -0.35 1.63 1.51 0.41 0.00 0.00 173.24 177.21 1ckr s ASP 431 N -2.02 6.41 0.10 2.44 -4.77 -1.26 -4.57 116.67 113.01 1ckr s ASP 431 Ca 0.60 1.72 0.00 0.00 -3.30 0.00 0.00 52.55 51.57 1ckr s ASP 431 Cb -0.12 -2.53 0.00 0.00 -1.09 0.00 0.00 42.92 39.18 1ckr s ASP 431 CO 0.17 -1.21 0.00 -0.46 0.70 0.00 0.00 175.17 174.36 1ckr n ASN 432 N 8.28 -6.71 0.00 2.11 0.23 -0.60 -4.87 115.26 113.70 1ckr n ASN 432 Ca 0.19 1.01 0.00 0.00 -0.53 0.00 0.00 54.58 55.24 1ckr n ASN 432 Cb 0.45 -3.71 0.00 0.00 -2.08 0.00 0.00 39.78 34.44 1ckr n ASN 432 CO 0.00 0.00 0.00 1.67 -0.93 0.00 0.00 177.26 178.00 1ckr n GLN 433 N 1.24 0.00 -1.06 -3.83 7.27 -1.26 -4.97 117.38 114.77 1ckr n GLN 433 Ca 0.00 0.00 -0.30 0.00 0.07 0.00 0.00 57.00 56.77 1ckr n GLN 433 Cb 0.00 -0.31 -0.11 0.00 2.41 0.00 0.00 30.24 32.24 1ckr n GLN 433 CO 0.00 0.00 0.00 -2.30 0.07 0.00 0.00 177.06 174.83 1ckr n PRO 434 N -1.81 0.00 -2.24 3.69 -0.02 -1.26 -4.37 135.00 128.99 1ckr n PRO 434 Ca 0.00 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.06 1ckr n PRO 434 Cb 0.00 -1.07 -0.03 0.00 -0.02 0.00 0.00 33.50 32.38 1ckr n PRO 434 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1ckr s GLY 435 N 6.26 2.01 0.03 -1.23 0.00 -1.26 -4.91 107.32 108.22 1ckr s GLY 435 Ca 0.96 0.98 0.07 0.00 0.00 0.00 0.00 44.72 46.74 1ckr s GLY 435 CO 0.36 2.35 -0.22 -1.34 0.00 0.00 0.00 173.10 174.25 1ckr s VAL 436 N 1.56 1.77 -0.32 1.40 -7.23 -0.33 -4.97 120.40 112.27 1ckr s VAL 436 Ca 0.63 -1.16 -0.19 0.00 -1.81 0.00 0.00 61.98 59.45 1ckr s VAL 436 Cb -0.33 -1.51 -0.01 0.00 0.56 0.00 0.00 36.38 35.08 1ckr s VAL 436 CO 0.29 0.31 0.55 -0.22 -0.31 0.00 0.00 175.10 175.71 1ckr s LEU 437 N -1.01 4.23 -0.14 1.32 1.98 -1.26 -0.76 118.68 123.03 1ckr s LEU 437 Ca 0.08 0.20 -0.03 0.00 -2.89 0.00 0.00 54.13 51.49 1ckr s LEU 437 Cb -0.09 -2.66 -0.03 0.00 0.66 0.00 0.00 46.19 44.07 1ckr s LEU 437 CO 0.01 -0.45 -0.02 -0.63 -1.89 0.00 0.00 176.35 173.37 1ckr s ILE 438 N 2.45 4.05 -0.05 6.68 -1.09 0.58 -4.93 121.20 128.89 1ckr s ILE 438 Ca 0.21 -0.31 0.06 0.00 -2.23 0.00 0.00 60.65 58.37 1ckr s ILE 438 Cb -0.15 -2.76 -0.02 0.00 -1.58 0.00 0.00 42.46 37.96 1ckr s ILE 438 CO 0.12 0.52 -0.22 -1.10 -1.23 0.00 0.00 174.94 173.04 1ckr s GLN 439 N 0.01 2.47 -0.06 2.79 -0.21 -1.10 -0.91 119.66 122.64 1ckr s GLN 439 Ca 0.01 -0.85 -0.16 0.00 0.02 0.00 0.00 55.36 54.39 1ckr s GLN 439 Cb -0.13 -2.21 -0.05 0.00 1.00 0.00 0.00 33.01 31.62 1ckr s GLN 439 CO 0.02 0.48 0.42 0.08 -2.12 0.00 0.00 175.29 174.17 1ckr s VAL 440 N -0.39 5.12 -0.18 1.09 1.01 -1.15 -0.26 120.40 125.65 1ckr s VAL 440 Ca 0.03 0.85 0.01 0.00 0.00 0.00 0.00 61.98 62.87 1ckr s VAL 440 Cb -0.12 -3.74 0.02 0.00 0.00 0.00 0.00 36.38 32.54 1ckr s VAL 440 CO 0.02 0.46 -0.20 -0.31 0.00 0.00 0.00 175.10 175.07 1ckr s TYR 441 N -0.26 2.77 -0.70 5.22 1.51 -0.78 -2.34 117.35 122.77 1ckr s TYR 441 Ca 0.24 -1.59 -0.20 0.00 -1.01 0.00 0.00 57.07 54.51 1ckr s TYR 441 Cb -0.16 -1.91 0.11 0.00 -0.11 0.00 0.00 41.96 39.89 1ckr s TYR 441 CO 0.11 -0.77 0.87 -2.00 -1.11 0.00 0.00 175.55 172.65 1ckr s GLU 442 N 1.23 3.22 0.00 -0.62 2.12 -1.08 -2.70 118.70 120.87 1ckr s GLU 442 Ca 0.03 -1.36 0.00 0.00 0.36 0.00 0.00 54.97 54.00 1ckr s GLU 442 Cb -0.13 -4.41 0.00 0.00 0.26 0.00 0.00 34.13 29.85 1ckr s GLU 442 CO -0.11 -1.65 0.00 0.41 -0.54 0.00 0.00 175.26 173.37 1ckr n GLY 443 N 5.25 -0.63 3.63 -1.50 0.00 -1.23 -0.82 105.19 109.89 1ckr n GLY 443 Ca 0.01 -0.53 -0.14 0.00 0.00 0.00 0.00 46.02 45.36 1ckr n GLY 443 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ckr s GLU 444 N -0.37 0.81 0.00 1.61 2.12 -1.26 -3.39 118.70 118.22 1ckr s GLU 444 Ca 0.00 0.95 0.00 0.00 0.36 0.00 0.00 54.97 56.28 1ckr s GLU 444 Cb 0.00 0.40 0.00 0.00 0.26 0.00 0.00 34.13 34.79 1ckr s GLU 444 CO 0.00 -0.10 0.00 -2.13 -0.54 0.00 0.00 175.26 172.49 1ckr n ARG 445 N 2.61 0.00 -2.70 4.30 0.63 -1.26 -4.63 116.66 115.61 1ckr n ARG 445 Ca -0.14 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.37 1ckr n ARG 445 Cb 0.55 0.00 0.01 0.00 0.45 0.00 0.00 32.46 33.47 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 5.71 -0.14 5.13 0.00 -1.26 -4.84 120.51 122.11 1ckr n ALA 446 Ca 0.00 -4.62 0.00 0.00 0.00 0.00 0.00 53.44 48.82 1ckr n ALA 446 Cb 0.00 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.06 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 1.08 0.00 -0.89 0.00 2.81 -1.26 -4.87 117.12 113.98 1ckr n MET 447 Ca 0.39 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.28 1ckr n MET 447 Cb 0.30 -0.07 0.00 0.00 -0.71 0.00 0.00 33.22 32.74 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 -0.16 0.00 0.00 2.03 -2.24 -1.25 -4.71 114.28 107.95 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 -0.61 0.00 0.00 -2.10 0.00 0.00 70.33 67.62 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 -0.21 0.00 -3.15 -0.78 0.00 -1.26 -5.10 118.16 107.66 1ckr n LYS 449 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 58.31 58.34 1ckr n LYS 449 Cb 0.18 0.00 -0.00 0.00 0.00 0.00 0.00 35.03 35.21 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 -1.40 0.63 3.14 -4.77 -1.26 -5.07 116.67 106.94 1ckr s ASP 450 Ca 0.00 -0.26 -0.01 0.00 -3.30 0.00 0.00 52.55 48.98 1ckr s ASP 450 Cb 0.00 1.82 0.05 0.00 -1.09 0.00 0.00 42.92 43.71 1ckr s ASP 450 CO 0.00 -0.21 0.36 -0.46 0.70 0.00 0.00 175.17 175.56 1ckr n ASN 451 N 4.84 0.33 -4.30 2.11 0.23 -1.22 -4.72 115.26 112.54 1ckr n ASN 451 Ca 0.08 -1.32 -0.39 0.00 -0.53 0.00 0.00 54.58 52.42 1ckr n ASN 451 Cb 0.56 -0.24 -0.11 0.00 -2.08 0.00 0.00 39.78 37.91 1ckr n ASN 451 CO 0.00 0.00 0.00 0.20 -0.93 0.00 0.00 177.26 176.53 1ckr s ASN 452 N -2.40 5.52 -0.08 0.53 0.01 0.00 -4.92 114.94 113.60 1ckr s ASN 452 Ca 0.22 -1.21 -0.29 0.00 -0.71 0.00 0.00 52.86 50.87 1ckr s ASN 452 Cb -0.01 -1.94 -0.06 0.00 0.41 0.00 0.00 41.25 39.65 1ckr s ASN 452 CO 0.15 -0.40 1.80 -0.22 -1.51 0.00 0.00 177.10 176.92 1ckr s LEU 453 N 1.45 4.16 -0.23 0.60 0.20 -1.26 -2.62 118.68 120.97 1ckr s LEU 453 Ca 0.01 2.18 0.02 0.00 0.69 0.00 0.00 54.13 57.02 1ckr s LEU 453 Cb -0.20 -3.53 0.05 0.00 -0.43 0.00 0.00 46.19 42.08 1ckr s LEU 453 CO 0.04 -1.16 -0.11 -0.76 -0.29 0.00 0.00 176.35 174.07 1ckr s LEU 454 N 4.91 2.84 0.00 -0.68 1.43 -0.99 -4.97 118.68 121.22 1ckr s LEU 454 Ca 0.80 -1.15 0.00 0.00 -1.03 0.00 0.00 54.13 52.75 1ckr s LEU 454 Cb -0.34 -1.39 0.00 0.00 0.03 0.00 0.00 46.19 44.49 1ckr s LEU 454 CO 0.33 -0.17 0.00 0.61 0.23 0.00 0.00 176.35 177.36 1ckr n GLY 455 N 4.56 -0.37 0.00 -3.19 0.00 -1.26 -2.92 105.19 102.01 1ckr n GLY 455 Ca -0.14 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 44.91 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 -1.21 0.00 -3.75 1.61 2.85 -1.26 -4.04 118.16 112.36 1ckr n LYS 456 Ca 0.00 0.00 -0.11 0.00 -1.05 0.00 0.00 58.31 57.15 1ckr n LYS 456 Cb 0.00 0.00 -0.07 0.00 -0.65 0.00 0.00 35.03 34.31 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 -1.38 -0.10 -0.13 5.58 -0.71 -0.09 -5.01 117.98 116.13 1ckr s PHE 457 Ca 0.00 -0.05 -0.02 0.00 -1.04 0.00 0.00 56.93 55.82 1ckr s PHE 457 Cb 0.00 0.10 -0.02 0.00 -1.21 0.00 0.00 43.02 41.89 1ckr s PHE 457 CO 0.00 -0.52 -0.07 -2.00 -1.34 0.00 0.00 175.22 171.29 1ckr s GLU 458 N -2.69 3.45 -0.14 1.99 2.12 -1.26 -0.31 118.70 121.85 1ckr s GLU 458 Ca -0.04 -0.57 0.00 0.00 0.36 0.00 0.00 54.97 54.73 1ckr s GLU 458 Cb -0.00 -2.79 -0.00 0.00 0.26 0.00 0.00 34.13 31.59 1ckr s GLU 458 CO -0.04 0.31 -0.15 -1.17 -0.54 0.00 0.00 175.26 173.66 1ckr s LEU 459 N 0.16 2.51 -0.06 2.70 2.96 0.06 -4.97 118.68 122.03 1ckr s LEU 459 Ca -0.03 -0.44 -0.04 0.00 -0.22 0.00 0.00 54.13 53.40 1ckr s LEU 459 Cb -0.14 -1.56 0.03 0.00 0.50 0.00 0.00 46.19 45.01 1ckr s LEU 459 CO 0.03 0.11 0.15 0.42 -1.32 0.00 0.00 176.35 175.75 1ckr s THR 460 N 0.66 -0.02 0.00 3.68 -4.23 -1.26 -1.18 115.64 113.28 1ckr s THR 460 Ca -0.08 0.09 0.00 0.00 -1.18 0.00 0.00 61.69 60.52 1ckr s THR 460 Cb -0.16 -0.24 0.00 0.00 1.34 0.00 0.00 72.50 73.45 1ckr s THR 460 CO 0.02 0.04 0.00 0.61 -0.54 0.00 0.00 174.62 174.75 1ckr n GLY 461 N 3.63 -0.55 3.88 3.99 0.00 -1.26 -5.08 105.19 109.79 1ckr n GLY 461 Ca -0.20 -0.04 -0.32 0.00 0.00 0.00 0.00 46.02 45.46 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 0.00 4.97 -0.30 -0.61 -1.09 -1.26 -4.83 121.20 118.08 1ckr s ILE 462 Ca 0.00 0.43 -0.29 0.00 -2.23 0.00 0.00 60.65 58.56 1ckr s ILE 462 Cb 0.00 -3.63 -0.01 0.00 -1.58 0.00 0.00 42.46 37.24 1ckr s ILE 462 CO 0.00 -0.02 1.49 -2.16 -1.23 0.00 0.00 174.94 173.03 1ckr s PRO 463 N -2.69 3.73 -1.25 2.79 0.04 -1.26 -4.72 135.00 131.63 1ckr s PRO 463 Ca 0.45 1.34 -0.17 0.00 0.04 0.00 0.00 61.00 62.66 1ckr s PRO 463 Cb -0.12 -4.00 0.10 0.00 0.04 0.00 0.00 34.50 30.51 1ckr s PRO 463 CO 0.21 -1.37 1.63 -1.25 0.04 0.00 0.00 177.00 176.26 1ckr s PRO 464 N 4.70 3.99 0.67 0.56 0.04 -1.26 -4.33 135.00 139.36 1ckr s PRO 464 Ca 0.65 -2.10 0.05 0.00 0.04 0.00 0.00 61.00 59.64 1ckr s PRO 464 Cb -0.19 -5.39 0.12 0.00 0.04 0.00 0.00 34.50 29.08 1ckr s PRO 464 CO 0.29 -2.12 0.93 0.00 0.04 0.00 0.00 177.00 176.14 1ckr n ALA 465 N 7.67 0.74 -1.54 8.56 0.00 -1.26 -4.79 120.51 129.90 1ckr n ALA 465 Ca 0.44 -2.09 -0.31 0.00 0.00 0.00 0.00 53.44 51.49 1ckr n ALA 465 Cb 0.45 0.46 0.07 0.00 0.00 0.00 0.00 19.45 20.44 1ckr n ALA 465 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1ckr s PRO 466 N -4.95 2.50 -0.23 0.00 0.02 -1.26 -1.56 135.00 129.52 1ckr s PRO 466 Ca 0.65 0.83 -0.34 0.00 0.02 0.00 0.00 61.00 62.16 1ckr s PRO 466 Cb -0.04 -1.95 -0.15 0.00 0.02 0.00 0.00 34.50 32.37 1ckr s PRO 466 CO 0.43 -1.38 1.07 -2.13 -0.33 0.00 0.00 177.00 174.66 1ckr n ARG 467 N -3.30 0.00 -0.94 5.54 0.63 -1.26 -0.95 116.66 116.38 1ckr n ARG 467 Ca 0.07 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.00 1ckr n ARG 467 Cb 0.55 -1.16 0.00 0.00 0.45 0.00 0.00 32.46 32.30 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 2.32 0.75 0.13 5.14 0.00 -1.05 -4.93 105.19 107.55 1ckr n GLY 468 Ca 0.21 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.11 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 -2.18 0.90 -1.72 1.61 0.31 -0.12 -4.72 118.33 112.41 1ckr n VAL 469 Ca 0.00 -0.33 -0.43 0.00 -0.01 0.00 0.00 64.34 63.58 1ckr n VAL 469 Cb 0.02 -1.14 -0.01 0.00 -0.91 0.00 0.00 33.84 31.80 1ckr n VAL 469 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1ckr n PRO 470 N -3.05 2.36 -3.67 5.55 -0.02 -1.26 -4.84 135.00 130.07 1ckr n PRO 470 Ca -0.28 0.83 -0.10 0.00 -2.02 0.00 0.00 63.50 61.93 1ckr n PRO 470 Cb 0.79 -2.51 -0.04 0.00 -0.02 0.00 0.00 33.50 31.71 1ckr n PRO 470 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 1ckr s GLN 471 N -1.18 1.15 -0.04 -0.52 -2.07 -1.26 -1.57 119.66 114.17 1ckr s GLN 471 Ca 0.60 -0.76 -0.01 0.00 -1.82 0.00 0.00 55.36 53.37 1ckr s GLN 471 Cb -0.55 0.48 0.03 0.00 -1.09 0.00 0.00 33.01 31.88 1ckr s GLN 471 CO 0.56 -0.46 0.08 0.96 -1.32 0.00 0.00 175.29 175.11 1ckr s ILE 472 N -3.83 -0.06 -0.58 3.63 -0.00 0.80 -4.26 121.20 116.90 1ckr s ILE 472 Ca 0.05 0.21 -0.23 0.00 -0.00 0.00 0.00 60.65 60.69 1ckr s ILE 472 Cb 0.01 -0.15 0.05 0.00 -0.00 0.00 0.00 42.46 42.37 1ckr s ILE 472 CO -0.09 0.09 0.89 -0.70 -0.00 0.00 0.00 174.94 175.13 1ckr s GLU 473 N 1.18 3.23 -0.81 0.37 2.12 0.47 -0.36 118.70 124.89 1ckr s GLU 473 Ca -0.08 -0.55 -0.25 0.00 0.36 0.00 0.00 54.97 54.44 1ckr s GLU 473 Cb -0.12 -4.12 0.04 0.00 0.26 0.00 0.00 34.13 30.19 1ckr s GLU 473 CO -0.04 -1.54 1.29 0.08 -0.54 0.00 0.00 175.26 174.51 1ckr s VAL 474 N 3.76 3.86 -0.25 3.70 1.01 -0.38 -0.67 120.40 131.42 1ckr s VAL 474 Ca 0.25 -0.03 -0.15 0.00 0.00 0.00 0.00 61.98 62.05 1ckr s VAL 474 Cb -0.15 -4.93 -0.04 0.00 0.00 0.00 0.00 36.38 31.26 1ckr s VAL 474 CO 0.15 -1.84 0.38 -0.89 0.00 0.00 0.00 175.10 172.90 1ckr s THR 475 N 5.30 5.18 -0.50 3.92 2.01 0.63 -2.51 115.64 129.67 1ckr s THR 475 Ca 0.37 0.60 -0.11 0.00 0.31 0.00 0.00 61.69 62.86 1ckr s THR 475 Cb -0.07 -3.71 0.13 0.00 0.01 0.00 0.00 72.50 68.87 1ckr s THR 475 CO 0.07 0.18 0.40 -0.36 -0.69 0.00 0.00 174.62 174.22 1ckr s PHE 476 N 1.90 3.40 -0.65 4.92 0.40 0.01 -0.17 117.98 127.79 1ckr s PHE 476 Ca 0.16 -1.77 -0.14 0.00 -0.60 0.00 0.00 56.93 54.58 1ckr s PHE 476 Cb -0.15 -3.57 0.17 0.00 0.51 0.00 0.00 43.02 39.97 1ckr s PHE 476 CO 0.09 -1.00 0.59 0.34 0.70 0.00 0.00 175.22 175.94 1ckr s ASP 477 N 2.82 6.33 0.02 1.36 2.15 -0.68 -1.32 116.67 127.35 1ckr s ASP 477 Ca 0.06 -2.20 -0.23 0.00 0.43 0.00 0.00 52.55 50.61 1ckr s ASP 477 Cb -0.26 -2.18 -0.05 0.00 -0.30 0.00 0.00 42.92 40.12 1ckr s ASP 477 CO -0.00 -0.71 0.70 -0.63 -0.17 0.00 0.00 175.17 174.35 1ckr s ILE 478 N 0.95 4.81 0.24 4.11 1.01 -0.12 -0.98 121.20 131.22 1ckr s ILE 478 Ca 0.10 1.47 -0.13 0.00 0.00 0.00 0.00 60.65 62.08 1ckr s ILE 478 Cb -0.22 -4.04 -0.08 0.00 0.01 0.00 0.00 42.46 38.14 1ckr s ILE 478 CO -0.02 0.38 0.63 -1.81 0.00 0.00 0.00 174.94 174.12 1ckr s ASP 479 N -0.07 6.77 0.60 3.58 1.01 0.12 -2.66 116.67 126.01 1ckr s ASP 479 Ca 0.36 1.13 0.28 0.00 0.71 0.00 0.00 52.55 55.02 1ckr s ASP 479 Cb -0.19 -2.31 1.28 0.00 1.01 0.00 0.00 42.92 42.71 1ckr s ASP 479 CO 0.20 -0.06 1.68 0.00 0.21 0.00 0.00 175.17 177.20 1ckr h ALA 480 N 2.77 2.42 -0.70 5.23 0.00 -1.87 -2.34 119.26 124.77 1ckr h ALA 480 Ca -0.48 -0.02 -0.49 0.00 0.00 0.00 0.00 54.91 53.92 1ckr h ALA 480 Cb 1.18 0.05 -0.20 0.00 0.00 0.00 0.00 17.79 18.81 1ckr h ALA 480 CO 0.67 -1.07 0.62 0.09 0.00 0.00 0.00 179.25 179.56 1ckr n ASN 481 N -3.49 7.00 -3.96 0.00 3.02 -1.26 -4.83 115.26 111.74 1ckr n ASN 481 Ca 0.13 -3.39 -0.27 0.00 -0.03 0.00 0.00 54.58 51.02 1ckr n ASN 481 Cb 0.96 -1.04 -0.01 0.00 -0.61 0.00 0.00 39.78 39.09 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 -0.14 -0.30 3.25 7.41 0.00 -0.90 -4.82 105.19 109.69 1ckr n GLY 482 Ca 0.45 0.15 -0.35 0.00 0.00 0.00 0.00 46.02 46.27 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 -3.72 3.02 -0.41 -0.61 1.01 -1.08 -4.32 121.20 115.10 1ckr s ILE 483 Ca 0.21 -0.72 -0.18 0.00 0.00 0.00 0.00 60.65 59.97 1ckr s ILE 483 Cb -0.11 -2.41 0.02 0.00 0.01 0.00 0.00 42.46 39.97 1ckr s ILE 483 CO 0.88 0.38 0.48 -0.22 0.00 0.00 0.00 174.94 176.45 1ckr s LEU 484 N 1.41 4.68 -1.03 2.97 2.96 -0.92 0.15 118.68 128.90 1ckr s LEU 484 Ca 0.04 -0.48 -0.19 0.00 -0.22 0.00 0.00 54.13 53.28 1ckr s LEU 484 Cb -0.15 -2.47 0.11 0.00 0.50 0.00 0.00 46.19 44.18 1ckr s LEU 484 CO -0.05 -0.58 1.32 0.21 -1.32 0.00 0.00 176.35 175.93 1ckr s ASN 485 N 1.83 6.69 -0.26 3.68 3.84 -0.15 -0.63 114.94 129.93 1ckr s ASN 485 Ca 0.15 -2.08 -0.22 0.00 0.21 0.00 0.00 52.86 50.92 1ckr s ASN 485 Cb -0.16 -2.46 -0.01 0.00 -0.55 0.00 0.00 41.25 38.06 1ckr s ASN 485 CO 0.14 -1.14 0.69 -0.69 -2.79 0.00 0.00 177.10 173.32 1ckr s VAL 486 N 3.24 4.93 0.23 -5.21 1.01 0.28 -1.69 120.40 123.19 1ckr s VAL 486 Ca 0.40 1.20 0.09 0.00 0.00 0.00 0.00 61.98 63.67 1ckr s VAL 486 Cb -0.02 -4.00 -0.04 0.00 0.00 0.00 0.00 36.38 32.31 1ckr s VAL 486 CO -0.06 -0.04 -0.04 -0.55 0.00 0.00 0.00 175.10 174.41 1ckr s SER 487 N 1.48 4.46 -0.09 3.32 0.15 0.76 -1.19 113.70 122.59 1ckr s SER 487 Ca 0.29 -0.60 -0.01 0.00 0.70 0.00 0.00 55.95 56.32 1ckr s SER 487 Cb -0.15 -0.82 0.03 0.00 -1.71 0.00 0.00 66.02 63.37 1ckr s SER 487 CO 0.09 0.04 -0.02 0.00 1.20 0.00 0.00 173.24 174.55 1ckr s ALA 488 N -2.07 0.91 -0.19 5.45 0.00 -0.71 -0.26 121.76 124.89 1ckr s ALA 488 Ca 0.29 -0.27 -0.02 0.00 0.00 0.00 0.00 51.96 51.95 1ckr s ALA 488 Cb -0.07 -0.81 -0.01 0.00 0.00 0.00 0.00 23.12 22.23 1ckr s ALA 488 CO 0.18 -0.45 -0.08 0.08 0.00 0.00 0.00 175.76 175.49 1ckr s VAL 489 N 1.88 3.17 -1.15 0.00 1.01 0.15 -2.40 120.40 123.06 1ckr s VAL 489 Ca 0.05 -0.58 -0.20 0.00 0.00 0.00 0.00 61.98 61.26 1ckr s VAL 489 Cb -0.12 -2.40 0.08 0.00 0.00 0.00 0.00 36.38 33.93 1ckr s VAL 489 CO -0.06 0.46 1.53 -1.81 0.00 0.00 0.00 175.10 175.22 1ckr s ASP 490 N 1.14 6.71 0.36 3.32 1.01 0.61 -0.39 116.67 129.43 1ckr s ASP 490 Ca 0.01 -2.08 0.07 0.00 0.71 0.00 0.00 52.55 51.26 1ckr s ASP 490 Cb -0.14 -2.54 0.69 0.00 1.01 0.00 0.00 42.92 41.94 1ckr s ASP 490 CO -0.02 -1.24 1.89 0.50 0.21 0.00 0.00 175.17 176.50 1ckr h LYS 491 N 8.51 0.36 -0.72 8.23 3.64 -1.83 -0.72 116.57 134.04 1ckr h LYS 491 Ca 0.31 -0.08 0.01 0.00 -1.27 0.00 0.00 60.65 59.61 1ckr h LYS 491 Cb 0.94 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.68 1ckr h LYS 491 CO 1.39 0.46 0.47 1.03 -2.27 0.00 0.00 179.45 180.54 1ckr h SER 492 N 0.34 0.83 0.48 4.20 0.87 -1.89 -1.62 113.55 116.76 1ckr h SER 492 Ca 0.07 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 1ckr h SER 492 Cb 0.38 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.13 1ckr h SER 492 CO 0.02 0.60 0.00 1.07 -0.53 0.00 0.00 176.83 177.99 1ckr n THR 493 N -4.58 0.08 -3.73 2.23 5.66 -1.07 -4.99 114.28 107.89 1ckr n THR 493 Ca 0.06 0.02 -0.32 0.00 -3.05 0.00 0.00 64.05 60.76 1ckr n THR 493 Cb 0.02 -0.56 0.04 0.00 -1.55 0.00 0.00 70.33 68.27 1ckr n THR 493 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1ckr n GLY 494 N 1.06 -0.93 2.73 1.09 0.00 -0.32 -5.02 105.19 103.80 1ckr n GLY 494 Ca 0.14 0.43 -0.17 0.00 0.00 0.00 0.00 46.02 46.41 1ckr n GLY 494 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ckr s LYS 495 N -6.12 -0.05 0.18 1.61 0.00 -0.94 -4.99 119.74 109.43 1ckr s LYS 495 Ca 0.44 0.29 0.07 0.00 0.00 0.00 0.00 55.97 56.77 1ckr s LYS 495 Cb -0.17 -0.36 -0.04 0.00 0.00 0.00 0.00 37.83 37.26 1ckr s LYS 495 CO 0.87 -0.24 -0.13 -1.83 0.00 0.00 0.00 175.35 174.01 1ckr s GLU 496 N 1.59 1.21 -0.01 1.78 -1.05 -1.26 -0.28 118.70 120.69 1ckr s GLU 496 Ca -0.03 -1.50 0.02 0.00 -0.15 0.00 0.00 54.97 53.31 1ckr s GLU 496 Cb -0.12 -0.97 -0.00 0.00 -0.44 0.00 0.00 34.13 32.60 1ckr s GLU 496 CO -0.03 0.16 -0.06 1.21 0.95 0.00 0.00 175.26 177.48 1ckr s ASN 497 N -3.14 0.82 0.01 0.83 2.47 -1.01 -4.98 114.94 109.94 1ckr s ASN 497 Ca 0.19 -0.12 -0.01 0.00 0.42 0.00 0.00 52.86 53.33 1ckr s ASN 497 Cb -0.01 -0.15 -0.01 0.00 -1.45 0.00 0.00 41.25 39.63 1ckr s ASN 497 CO 0.05 0.06 0.01 -1.59 -3.72 0.00 0.00 177.10 171.90 1ckr s LYS 498 N 0.03 0.30 -0.07 0.43 -2.85 -1.26 -1.74 119.74 114.58 1ckr s LYS 498 Ca 0.00 -0.48 0.05 0.00 -1.00 0.00 0.00 55.97 54.55 1ckr s LYS 498 Cb -0.05 0.11 -0.01 0.00 -2.06 0.00 0.00 37.83 35.83 1ckr s LYS 498 CO -0.00 -0.05 -0.24 -1.50 0.10 0.00 0.00 175.35 173.65 1ckr s ILE 499 N -1.23 2.03 -0.45 3.79 2.07 -0.33 -4.96 121.20 122.12 1ckr s ILE 499 Ca -0.13 -1.03 -0.15 0.00 -1.41 0.00 0.00 60.65 57.93 1ckr s ILE 499 Cb -0.08 -1.73 0.06 0.00 0.13 0.00 0.00 42.46 40.84 1ckr s ILE 499 CO -0.00 0.56 0.35 -0.89 -1.91 0.00 0.00 174.94 173.05 1ckr s THR 500 N 0.02 5.13 -0.38 4.00 2.01 -1.26 -0.55 115.64 124.61 1ckr s THR 500 Ca -0.09 -0.99 -0.21 0.00 0.31 0.00 0.00 61.69 60.71 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 -0.50 0.66 -0.63 -0.69 0.00 0.00 174.62 173.51 1ckr s ILE 501 N 1.63 4.85 -0.40 1.82 1.01 0.20 -4.93 121.20 125.37 1ckr s ILE 501 Ca 0.04 0.52 -0.23 0.00 0.00 0.00 0.00 60.65 60.98 1ckr s ILE 501 Cb -0.23 -4.12 0.02 0.00 0.01 0.00 0.00 42.46 38.14 1ckr s ILE 501 CO 0.07 -0.39 0.78 0.42 0.00 0.00 0.00 174.94 175.82 1ckr s THR 502 N 2.79 4.69 -1.34 2.92 -4.23 -1.26 -2.16 115.64 117.05 1ckr s THR 502 Ca 0.25 0.69 -0.13 0.00 -1.18 0.00 0.00 61.69 61.32 1ckr s THR 502 Cb -0.14 -4.26 0.11 0.00 1.34 0.00 0.00 72.50 69.55 1ckr s THR 502 CO 0.16 -0.56 1.95 -3.20 -0.54 0.00 0.00 174.62 172.43 1ckr n ASN 503 N 6.56 4.63 -0.03 3.99 2.85 -1.26 -4.47 115.26 127.53 1ckr n ASN 503 Ca 0.03 -2.97 -0.03 0.00 -0.11 0.00 0.00 54.58 51.49 1ckr n ASN 503 Cb 0.48 -1.59 -0.03 0.00 1.24 0.00 0.00 39.78 39.89 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 5.43 3.64 -4.41 1.20 2.03 -1.26 -4.87 116.55 118.31 1ckr n ASP 504 Ca 0.45 -0.02 -0.44 0.00 0.52 0.00 0.00 54.79 55.30 1ckr n ASP 504 Cb 0.39 0.03 -0.05 0.00 -0.72 0.00 0.00 41.12 40.77 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 -2.11 3.09 0.00 -0.67 1.02 -1.26 -4.48 119.74 115.33 1ckr s LYS 505 Ca -0.06 -1.06 0.00 0.00 0.02 0.00 0.00 55.97 54.86 1ckr s LYS 505 Cb 0.02 -4.22 0.00 0.00 -0.52 0.00 0.00 37.83 33.11 1ckr s LYS 505 CO 0.13 -1.55 0.00 0.41 -0.92 0.00 0.00 175.35 173.42 1ckr n GLY 506 N 5.27 -0.56 2.65 -3.33 0.00 -1.26 -5.02 105.19 102.93 1ckr n GLY 506 Ca -0.07 0.30 -0.13 0.00 0.00 0.00 0.00 46.02 46.12 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 0.00 -1.44 0.00 1.61 3.00 -1.26 -4.94 116.66 113.62 1ckr n ARG 506 Ca 0.00 0.93 0.00 0.00 -0.01 0.00 0.00 57.85 58.77 1ckr n ARG 506 Cb 0.00 -5.23 0.00 0.00 0.00 0.00 0.00 32.46 27.23 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 -1.44 0.00 0.00 0.55 -0.00 -1.26 -4.84 117.00 110.01 1ckr n LEU 507 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.88 1ckr n LEU 507 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.98 1ckr n LEU 507 CO 0.19 0.00 0.00 -0.24 -0.00 0.00 0.00 177.39 177.34 1ckr n SER 508 N -3.80 0.00 -0.24 1.45 2.88 -1.26 -2.63 113.62 110.03 1ckr n SER 508 Ca 0.00 0.00 0.10 0.00 -1.33 0.00 0.00 58.87 57.64 1ckr n SER 508 Cb 0.00 0.00 0.37 0.00 -0.75 0.00 0.00 64.21 63.83 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 0.68 0.26 -1.46 -0.00 -1.99 -2.64 116.57 111.43 1ckr h LYS 509 Ca 0.00 -0.04 -0.01 0.00 -0.00 0.00 0.00 60.65 60.60 1ckr h LYS 509 Cb 0.00 -0.15 0.00 0.00 -0.00 0.00 0.00 32.23 32.08 1ckr h LYS 509 CO 0.00 0.45 -0.12 1.05 -0.00 0.00 0.00 179.45 180.83 1ckr h GLU 510 N 0.71 -0.33 -0.39 0.07 9.09 -1.94 -2.62 114.58 119.17 1ckr h GLU 510 Ca 0.40 0.02 -0.11 0.00 0.05 0.00 0.00 59.36 59.73 1ckr h GLU 510 Cb 0.57 0.08 -0.01 0.00 -1.65 0.00 0.00 28.75 27.74 1ckr h GLU 510 CO -0.16 -0.13 -0.17 -0.44 0.05 0.00 0.00 179.01 178.15 1ckr h ASP 511 N -1.06 0.82 0.17 3.06 3.32 -1.63 -2.79 116.42 118.33 1ckr h ASP 511 Ca -0.04 -0.40 -0.01 0.00 0.02 0.00 0.00 57.03 56.61 1ckr h ASP 511 Cb 0.35 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.68 1ckr h ASP 511 CO 0.06 1.04 -0.08 0.40 -1.72 0.00 0.00 179.24 178.93 1ckr h ILE 512 N 0.61 0.94 -0.81 0.35 5.03 -1.64 -0.25 117.51 121.74 1ckr h ILE 512 Ca 0.09 -0.70 0.09 0.00 -0.12 0.00 0.00 64.86 64.22 1ckr h ILE 512 Cb 0.72 1.36 -0.07 0.00 -3.03 0.00 0.00 36.82 35.80 1ckr h ILE 512 CO 0.05 0.16 0.45 -0.08 -0.68 0.00 0.00 178.15 178.06 1ckr h GLU 513 N -0.59 0.74 0.13 2.37 4.81 -1.59 -2.40 114.58 118.05 1ckr h GLU 513 Ca -0.02 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 1ckr h GLU 513 Cb 0.44 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.65 1ckr h GLU 513 CO 0.04 0.49 -0.06 0.07 -0.73 0.00 0.00 179.01 178.82 1ckr h ARG 514 N 0.76 -0.17 0.00 1.92 0.11 -1.54 -3.40 114.38 112.07 1ckr h ARG 514 Ca 0.39 0.01 -0.07 0.00 0.10 0.00 0.00 59.98 60.41 1ckr h ARG 514 Cb 0.36 0.04 -0.01 0.00 1.11 0.00 0.00 29.97 31.47 1ckr h ARG 514 CO -0.25 0.27 -0.42 0.52 0.10 0.00 0.00 179.97 180.20 1ckr h MET 515 N -0.69 0.00 0.00 0.08 2.86 -1.05 -3.38 114.93 112.75 1ckr h MET 515 Ca -0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1ckr h MET 515 Cb 0.52 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.18 1ckr h MET 515 CO 0.03 0.88 0.00 1.55 1.06 0.00 0.00 176.91 180.43 1ckr n VAL 516 N -4.57 0.00 0.01 -2.22 3.14 -0.91 -0.48 118.33 113.30 1ckr n VAL 516 Ca -0.16 0.00 -0.22 0.00 -2.96 0.00 0.00 64.34 61.00 1ckr n VAL 516 Cb 0.50 -0.51 -0.14 0.00 -1.06 0.00 0.00 33.84 32.63 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 0.26 -0.00 1.45 4.20 -1.77 -3.32 115.11 115.93 1ckr h GLN 517 Ca 0.00 -0.44 0.00 0.00 0.06 0.00 0.00 58.65 58.27 1ckr h GLN 517 Cb 0.00 0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.94 1ckr h GLN 517 CO 0.00 1.21 -0.04 -0.85 -0.67 0.00 0.00 178.83 178.48 1ckr n GLU 518 N -3.82 0.31 0.00 1.46 0.28 -1.12 -4.28 120.64 113.47 1ckr n GLU 518 Ca -0.27 -0.03 0.00 0.00 -0.16 0.00 0.00 57.16 56.70 1ckr n GLU 518 Cb 0.94 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 32.31 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 -1.31 0.00 -0.34 -1.84 0.00 0.36 -4.37 120.51 113.01 1ckr n ALA 519 Ca 0.12 0.00 0.26 0.00 0.00 0.00 0.00 53.44 53.82 1ckr n ALA 519 Cb 0.28 0.00 0.51 0.00 0.00 0.00 0.00 19.45 20.24 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 0.25 0.00 0.00 -0.00 -1.83 0.94 114.58 113.94 1ckr h GLU 520 Ca 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 59.36 59.34 1ckr h GLU 520 Cb 0.00 -0.06 0.00 0.00 -0.00 0.00 0.00 28.75 28.69 1ckr h GLU 520 CO 0.00 0.17 0.00 1.17 -0.00 0.00 0.00 179.01 180.35 1ckr n LYS 521 N -5.02 0.00 0.00 1.06 0.00 -1.26 -2.65 118.16 110.29 1ckr n LYS 521 Ca 0.33 0.35 0.02 0.00 0.00 0.00 0.00 58.31 59.01 1ckr n LYS 521 Cb 1.07 -1.17 0.12 0.00 0.00 0.00 0.00 35.03 35.05 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 -1.25 0.00 -0.07 5.64 9.36 -0.41 -2.57 117.16 127.86 1ckr n TYR 522 Ca 0.00 0.00 -0.07 0.00 3.32 0.00 0.00 57.90 61.15 1ckr n TYR 522 Cb 0.00 -0.09 -0.02 0.00 -0.63 0.00 0.00 39.34 38.60 1ckr n TYR 522 CO 0.00 0.00 0.00 1.17 0.22 0.00 0.00 176.86 178.25 1ckr n LYS 523 N -1.09 0.41 0.23 2.98 4.81 0.19 -0.74 118.16 124.96 1ckr n LYS 523 Ca 0.03 0.16 0.16 0.00 -0.87 0.00 0.00 58.31 57.79 1ckr n LYS 523 Cb 0.02 -1.22 0.80 0.00 0.02 0.00 0.00 35.03 34.66 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 -1.02 1.00 0.03 3.14 0.00 -1.60 -0.70 119.26 120.10 1ckr h ALA 524 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.67 1ckr h ALA 524 Cb 0.78 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 1ckr h ALA 524 CO 0.00 0.00 -1.19 1.49 0.00 0.00 0.00 179.25 179.55 1ckr h GLU 525 N 0.00 0.06 0.00 0.00 4.81 -1.67 -2.86 114.58 114.92 1ckr h GLU 525 Ca 0.00 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 1ckr h GLU 525 Cb 0.09 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.51 1ckr h GLU 525 CO 0.00 0.96 0.09 0.22 -0.73 0.00 0.00 179.01 179.55 1ckr h ASP 526 N 0.02 0.00 -0.91 1.04 1.82 0.56 -3.46 116.42 115.48 1ckr h ASP 526 Ca -0.09 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.55 1ckr h ASP 526 Cb 1.85 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.86 1ckr h ASP 526 CO 0.13 0.00 0.00 -0.62 -1.61 0.00 0.00 179.24 177.14 1ckr n GLU 527 N -2.62 0.00 -3.21 0.28 1.02 -0.99 -4.36 120.64 110.75 1ckr n GLU 527 Ca -0.02 0.03 -0.08 0.00 -0.02 0.00 0.00 57.16 57.08 1ckr n GLU 527 Cb 0.14 -0.46 0.02 0.00 -0.02 0.00 0.00 31.44 31.12 1ckr n GLU 527 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1ckr n LYS 528 N -0.42 -1.54 0.00 3.49 4.01 -1.16 -4.81 118.16 117.74 1ckr n LYS 528 Ca 0.00 1.22 0.00 0.00 -0.51 0.00 0.00 58.31 59.02 1ckr n LYS 528 Cb 0.15 -5.35 0.00 0.00 -0.51 0.00 0.00 35.03 29.32 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 -2.35 0.00 -0.44 1.97 0.00 -0.81 -0.34 117.38 115.41 1ckr n GLN 529 Ca -0.05 0.00 0.08 0.00 0.00 0.00 0.00 57.00 57.03 1ckr n GLN 529 Cb 0.55 0.00 0.26 0.00 0.00 0.00 0.00 30.24 31.06 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 -1.29 3.25 -0.03 2.61 5.12 -1.24 -4.55 116.66 120.52 1ckr n ARG 530 Ca 0.00 -2.64 -0.13 0.00 -1.93 0.00 0.00 57.85 53.15 1ckr n ARG 530 Cb 0.00 -1.71 -0.08 0.00 -1.16 0.00 0.00 32.46 29.51 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 2.62 0.17 -2.28 0.55 3.58 -0.55 -3.39 116.42 117.12 1ckr h ASP 531 Ca 0.00 -0.44 -0.53 0.00 0.42 0.00 0.00 57.03 56.48 1ckr h ASP 531 Cb 1.27 -0.05 -0.07 0.00 1.72 0.00 0.00 39.33 42.20 1ckr h ASP 531 CO 0.18 0.57 1.11 -1.59 -2.88 0.00 0.00 179.24 176.63 1ckr s LYS 532 N -4.45 3.12 0.00 0.28 0.00 -1.22 -4.00 119.74 113.46 1ckr s LYS 532 Ca -0.15 -0.14 0.00 0.00 0.00 0.00 0.00 55.97 55.68 1ckr s LYS 532 Cb 0.04 -4.23 0.00 0.00 0.00 0.00 0.00 37.83 33.64 1ckr s LYS 532 CO 0.71 -2.23 0.00 1.55 0.00 0.00 0.00 175.35 175.37 1ckr n VAL 533 N 6.51 0.00 0.34 1.79 3.14 -0.82 -5.03 118.33 124.25 1ckr n VAL 533 Ca 0.06 0.00 -0.18 0.00 -2.96 0.00 0.00 64.34 61.26 1ckr n VAL 533 Cb 0.49 0.00 -0.10 0.00 -1.06 0.00 0.00 33.84 33.18 1ckr n VAL 533 CO 0.00 0.00 0.00 -1.28 -6.46 0.00 0.00 176.83 169.09 1ckr h SER 534 N 0.00 -1.31 -1.35 6.55 0.87 -1.89 -3.42 113.55 113.00 1ckr h SER 534 Ca 0.00 0.09 -0.07 0.00 -1.23 0.00 0.00 61.79 60.59 1ckr h SER 534 Cb 0.00 0.41 -0.25 0.00 -0.44 0.00 0.00 62.40 62.13 1ckr h SER 534 CO 0.00 -0.69 -0.44 -0.44 -0.53 0.00 0.00 176.83 174.73 1ckr s SER 535 N -4.21 -0.65 1.57 6.23 0.01 -1.26 -5.04 113.70 110.34 1ckr s SER 535 Ca -0.18 0.01 0.00 0.00 1.31 0.00 0.00 55.95 57.10 1ckr s SER 535 Cb 0.04 1.60 0.00 0.00 0.21 0.00 0.00 66.02 67.87 1ckr s SER 535 CO 0.58 -0.32 0.00 1.17 0.41 0.00 0.00 173.24 175.08 1ckr n LYS 536 N 5.39 0.00 -3.40 12.44 0.00 -1.26 -3.85 118.16 127.47 1ckr n LYS 536 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 58.31 57.98 1ckr n LYS 536 Cb 0.52 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 35.49 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 8.16 4.65 -4.15 3.14 3.02 -1.26 -1.94 115.26 126.88 1ckr n ASN 537 Ca 0.00 -3.32 -0.25 0.00 -0.03 0.00 0.00 54.58 50.98 1ckr n ASN 537 Cb 0.00 -0.98 -0.16 0.00 -0.61 0.00 0.00 39.78 38.03 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 -1.40 2.12 -0.74 6.41 1.04 -1.25 0.13 113.70 120.00 1ckr s SER 538 Ca 0.33 -0.34 -0.00 0.00 0.48 0.00 0.00 55.95 56.42 1ckr s SER 538 Cb 0.04 -0.40 0.37 0.00 0.10 0.00 0.00 66.02 66.13 1ckr s SER 538 CO -0.03 0.19 1.76 0.00 0.98 0.00 0.00 173.24 176.15 1ckr n LEU 539 N 2.87 6.74 0.00 2.42 -0.00 -1.26 -4.19 117.00 123.58 1ckr n LEU 539 Ca -0.16 -4.96 0.00 0.00 -0.00 0.00 0.00 56.01 50.88 1ckr n LEU 539 Cb 0.53 -0.90 0.00 0.00 -0.00 0.00 0.00 43.42 43.05 1ckr n LEU 539 CO 0.24 1.90 0.00 -1.84 -0.00 0.00 0.00 177.39 177.70