#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 3.52 -3.40 -1.46 4.71 -1.26 -4.90 120.64 117.86 1ckr n GLU 384 Ca 0.00 -3.33 -0.44 0.00 -0.01 0.00 0.00 57.16 53.38 1ckr n GLU 384 Cb 0.00 -2.98 -0.02 0.00 -1.01 0.00 0.00 31.44 27.43 1ckr n GLU 384 CO 0.00 0.00 0.00 -0.80 0.09 0.00 0.00 177.13 176.42 1ckr s ASN 385 N 1.28 6.86 -0.14 1.62 -0.87 -1.26 -5.05 114.94 117.39 1ckr s ASN 385 Ca 0.42 -3.30 -0.23 0.00 -1.57 0.00 0.00 52.86 48.17 1ckr s ASN 385 Cb 0.11 -2.15 -0.03 0.00 -0.02 0.00 0.00 41.25 39.16 1ckr s ASN 385 CO -0.02 -0.36 0.73 0.54 -2.57 0.00 0.00 177.10 175.42 1ckr s VAL 386 N -0.78 4.98 -0.76 1.60 0.11 -1.26 -5.04 120.40 119.25 1ckr s VAL 386 Ca 0.26 1.44 -0.09 0.00 -2.93 0.00 0.00 61.98 60.66 1ckr s VAL 386 Cb -0.10 -4.05 0.20 0.00 -1.53 0.00 0.00 36.38 30.90 1ckr s VAL 386 CO -0.09 0.13 0.65 -1.58 -3.33 0.00 0.00 175.10 170.89 1ckr s GLN 387 N 1.59 3.20 -0.87 1.54 0.74 -1.26 -5.04 119.66 119.55 1ckr s GLN 387 Ca 0.35 -2.56 -0.24 0.00 0.05 0.00 0.00 55.36 52.97 1ckr s GLN 387 Cb -0.17 -4.13 0.05 0.00 1.10 0.00 0.00 33.01 29.86 1ckr s GLN 387 CO 0.14 -1.24 1.30 -0.51 -0.55 0.00 0.00 175.29 174.42 1ckr s ASP 388 N 1.43 6.35 -1.33 6.67 1.01 -1.26 -4.95 116.67 124.60 1ckr s ASP 388 Ca 0.18 -1.10 -0.15 0.00 0.71 0.00 0.00 52.55 52.20 1ckr s ASP 388 Cb -0.14 -2.53 0.10 0.00 1.01 0.00 0.00 42.92 41.36 1ckr s ASP 388 CO -0.07 -1.57 1.85 0.18 0.21 0.00 0.00 175.17 175.77 1ckr n LEU 389 N 8.68 5.85 -4.45 1.23 4.77 -1.26 -4.93 117.00 126.89 1ckr n LEU 389 Ca 0.17 -4.21 -0.44 0.00 -0.03 0.00 0.00 56.01 51.50 1ckr n LEU 389 Cb 0.49 -1.65 -0.01 0.00 -2.33 0.00 0.00 43.42 39.92 1ckr n LEU 389 CO 0.66 0.75 1.19 -0.76 -1.33 0.00 0.00 177.39 177.90 1ckr s LEU 390 N 2.39 5.15 -0.92 2.23 1.43 -1.26 -4.98 118.68 122.71 1ckr s LEU 390 Ca 0.47 -2.65 -0.22 0.00 -1.03 0.00 0.00 54.13 50.70 1ckr s LEU 390 Cb 0.07 -2.39 0.07 0.00 0.03 0.00 0.00 46.19 43.97 1ckr s LEU 390 CO 0.00 -0.84 1.29 -0.22 0.23 0.00 0.00 176.35 176.81 1ckr s LEU 391 N 1.85 3.94 -0.63 1.79 2.96 -1.26 -4.96 118.68 122.37 1ckr s LEU 391 Ca 0.38 -1.42 -0.06 0.00 -0.22 0.00 0.00 54.13 52.82 1ckr s LEU 391 Cb -0.04 -2.51 0.16 0.00 0.50 0.00 0.00 46.19 44.30 1ckr s LEU 391 CO -0.04 -1.44 0.48 -0.76 -1.32 0.00 0.00 176.35 173.27 1ckr s LEU 392 N 4.41 5.58 -1.34 -0.68 1.43 -1.26 -5.02 118.68 121.80 1ckr s LEU 392 Ca 0.39 -2.67 -0.16 0.00 -1.03 0.00 0.00 54.13 50.65 1ckr s LEU 392 Cb -0.04 -1.94 0.07 0.00 0.03 0.00 0.00 46.19 44.32 1ckr s LEU 392 CO -0.04 -0.45 1.87 0.47 0.23 0.00 0.00 176.35 178.42 1ckr n ASP 393 N 3.80 4.65 -4.84 2.29 8.00 -1.26 -4.99 116.55 124.20 1ckr n ASP 393 Ca 0.07 -2.91 -0.38 0.00 0.71 0.00 0.00 54.79 52.28 1ckr n ASP 393 Cb 0.40 -1.69 -0.06 0.00 -0.02 0.00 0.00 41.12 39.75 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 3.50 5.19 -0.01 2.53 -7.23 -1.26 -1.99 120.40 121.14 1ckr s VAL 394 Ca 0.50 0.63 -0.18 0.00 -1.81 0.00 0.00 61.98 61.13 1ckr s VAL 394 Cb 0.07 -3.61 -0.06 0.00 0.56 0.00 0.00 36.38 33.34 1ckr s VAL 394 CO 0.02 0.57 0.50 0.28 -0.31 0.00 0.00 175.10 176.16 1ckr s THR 395 N -0.93 4.96 0.50 5.32 -1.32 -0.48 -4.84 115.64 118.85 1ckr s THR 395 Ca 0.21 1.04 0.19 0.00 -1.21 0.00 0.00 61.69 61.92 1ckr s THR 395 Cb -0.15 -3.82 0.26 0.00 -1.51 0.00 0.00 72.50 67.28 1ckr s THR 395 CO 0.10 0.49 2.11 1.55 -2.21 0.00 0.00 174.62 176.66 1ckr h PRO 396 N 5.26 0.00 -6.15 7.08 0.13 -1.94 -2.41 132.00 133.97 1ckr h PRO 396 Ca -0.48 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.09 1ckr h PRO 396 Cb 1.21 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.24 1ckr h PRO 396 CO 0.66 0.07 -0.63 -1.17 -0.23 0.00 0.00 178.00 176.71 1ckr s LEU 397 N -8.49 3.12 -0.37 1.56 2.96 -1.26 -2.73 118.68 113.47 1ckr s LEU 397 Ca -0.04 -0.76 -0.20 0.00 -0.22 0.00 0.00 54.13 52.90 1ckr s LEU 397 Cb 0.16 -1.60 0.00 0.00 0.50 0.00 0.00 46.19 45.25 1ckr s LEU 397 CO 0.65 -0.10 0.60 -0.94 -1.32 0.00 0.00 176.35 175.24 1ckr s SER 398 N -3.70 6.37 -0.20 3.68 1.04 -1.21 -4.50 113.70 115.19 1ckr s SER 398 Ca 0.33 0.00 -0.13 0.00 0.48 0.00 0.00 55.95 56.63 1ckr s SER 398 Cb -0.04 -2.31 -0.05 0.00 0.10 0.00 0.00 66.02 63.73 1ckr s SER 398 CO 0.20 -0.59 0.28 -0.76 0.98 0.00 0.00 173.24 173.35 1ckr s LEU 399 N 2.62 4.18 0.00 2.42 1.43 -1.26 -3.17 118.68 124.89 1ckr s LEU 399 Ca 0.22 0.38 0.00 0.00 -1.03 0.00 0.00 54.13 53.70 1ckr s LEU 399 Cb -0.15 -2.33 0.00 0.00 0.03 0.00 0.00 46.19 43.75 1ckr s LEU 399 CO 0.15 0.04 0.00 0.61 0.23 0.00 0.00 176.35 177.38 1ckr n GLY 400 N 3.81 5.07 2.97 -3.19 0.00 -1.12 -4.39 105.19 108.34 1ckr n GLY 400 Ca -0.12 -1.13 -0.14 0.00 0.00 0.00 0.00 46.02 44.64 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 0.14 0.33 -0.30 -0.61 -4.36 -1.11 -2.16 121.20 113.13 1ckr s ILE 401 Ca 0.00 -0.43 -0.22 0.00 -0.26 0.00 0.00 60.65 59.74 1ckr s ILE 401 Cb 0.00 -0.33 -0.01 0.00 1.25 0.00 0.00 42.46 43.37 1ckr s ILE 401 CO 0.00 -0.07 0.71 -0.70 0.24 0.00 0.00 174.94 175.11 1ckr s GLU 402 N -0.54 3.95 0.02 0.37 -6.30 -0.40 -1.99 118.70 113.81 1ckr s GLU 402 Ca -0.03 0.46 0.01 0.00 -2.50 0.00 0.00 54.97 52.91 1ckr s GLU 402 Cb -0.04 -3.72 -0.02 0.00 0.00 0.00 0.00 34.13 30.35 1ckr s GLU 402 CO -0.00 -0.61 -0.04 0.95 0.02 0.00 0.00 175.26 175.58 1ckr s THR 403 N 2.76 0.21 0.00 -1.70 -4.23 -0.18 -3.77 115.64 108.74 1ckr s THR 403 Ca 0.29 -0.88 0.00 0.00 -1.18 0.00 0.00 61.69 59.92 1ckr s THR 403 Cb -0.15 -0.33 0.00 0.00 1.34 0.00 0.00 72.50 73.37 1ckr s THR 403 CO 0.12 -0.43 0.00 0.00 -0.54 0.00 0.00 174.62 173.77 1ckr n ALA 404 N 1.69 0.00 -0.65 3.99 0.00 -1.26 -1.59 120.51 122.68 1ckr n ALA 404 Ca -0.23 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.15 1ckr n ALA 404 Cb 0.55 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.01 1ckr n ALA 404 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ckr n GLY 405 N 0.00 3.06 3.22 0.00 0.00 -1.26 -4.63 105.19 105.57 1ckr n GLY 405 Ca 0.00 -0.41 -0.10 0.00 0.00 0.00 0.00 46.02 45.51 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 1.14 -1.15 3.14 -0.02 0.00 -0.95 -4.97 105.19 102.38 1ckr n GLY 406 Ca 0.11 0.72 -0.10 0.00 0.00 0.00 0.00 46.02 46.75 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 -2.79 0.57 -0.92 1.61 -7.23 -0.62 -3.45 120.40 107.57 1ckr s VAL 407 Ca 0.08 -1.81 -0.24 0.00 -1.81 0.00 0.00 61.98 58.20 1ckr s VAL 407 Cb -0.02 -1.53 0.05 0.00 0.56 0.00 0.00 36.38 35.45 1ckr s VAL 407 CO 0.80 -0.85 1.37 -0.32 -0.31 0.00 0.00 175.10 175.79 1ckr s MET 408 N -3.61 3.46 -0.26 4.82 1.75 -1.22 -1.01 119.30 123.24 1ckr s MET 408 Ca 0.08 -0.88 -0.20 0.00 -1.25 0.00 0.00 55.69 53.44 1ckr s MET 408 Cb 0.04 -4.96 -0.02 0.00 2.84 0.00 0.00 34.83 32.73 1ckr s MET 408 CO -0.05 -2.16 0.63 0.99 -0.65 0.00 0.00 175.02 173.78 1ckr s THR 409 N 5.07 4.98 -0.26 10.11 2.01 -0.84 -4.77 115.64 131.94 1ckr s THR 409 Ca 0.41 1.12 0.02 0.00 0.31 0.00 0.00 61.69 63.55 1ckr s THR 409 Cb -0.03 -3.94 0.05 0.00 0.01 0.00 0.00 72.50 68.60 1ckr s THR 409 CO -0.02 0.02 -0.09 0.54 -0.69 0.00 0.00 174.62 174.38 1ckr s VAL 410 N 2.51 2.35 -0.43 3.82 0.11 -1.26 -2.77 120.40 124.73 1ckr s VAL 410 Ca 0.26 -1.50 0.23 0.00 -2.93 0.00 0.00 61.98 58.04 1ckr s VAL 410 Cb -0.15 -2.34 0.17 0.00 -1.53 0.00 0.00 36.38 32.52 1ckr s VAL 410 CO 0.09 0.01 1.38 0.17 -3.33 0.00 0.00 175.10 173.42 1ckr h LEU 411 N 7.84 0.00 0.00 2.54 8.10 -1.95 -3.47 115.31 128.36 1ckr h LEU 411 Ca -0.22 -0.03 0.00 0.00 0.11 0.00 0.00 57.88 57.73 1ckr h LEU 411 Cb 1.06 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.28 1ckr h LEU 411 CO 0.49 0.02 0.00 -0.38 -4.11 0.00 0.00 178.44 174.46 1ckr n ILE 412 N -2.70 0.00 -3.62 0.15 2.08 -1.26 -4.99 119.36 109.02 1ckr n ILE 412 Ca 0.03 0.00 -0.09 0.00 0.56 0.00 0.00 62.75 63.24 1ckr n ILE 412 Cb 0.51 -1.57 -0.02 0.00 -0.75 0.00 0.00 39.64 37.82 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 0.68 1.46 0.30 0.38 0.00 -1.26 -4.93 119.74 116.37 1ckr s LYS 413 Ca 0.00 -0.69 -0.27 0.00 0.00 0.00 0.00 55.97 55.01 1ckr s LYS 413 Cb 0.00 0.58 -0.10 0.00 0.00 0.00 0.00 37.83 38.31 1ckr s LYS 413 CO 0.00 -0.66 0.95 -0.98 0.00 0.00 0.00 175.35 174.66 1ckr s ARG 414 N -3.76 4.67 -1.25 1.78 1.70 -1.26 -3.28 118.95 117.54 1ckr s ARG 414 Ca 0.06 1.39 -0.02 0.00 -0.47 0.00 0.00 55.73 56.69 1ckr s ARG 414 Cb -0.03 -2.96 -0.01 0.00 -0.57 0.00 0.00 34.95 31.39 1ckr s ARG 414 CO -0.04 0.35 0.78 0.09 -1.08 0.00 0.00 175.30 175.40 1ckr n ASN 415 N 0.86 -2.17 -4.68 -2.89 3.02 -1.01 -4.96 115.26 103.43 1ckr n ASN 415 Ca 0.01 -0.79 -0.41 0.00 -0.03 0.00 0.00 54.58 53.36 1ckr n ASN 415 Cb 0.49 -4.29 -0.05 0.00 -0.61 0.00 0.00 39.78 35.33 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 -3.58 4.96 -1.09 3.41 -1.32 -0.94 -4.80 115.64 112.28 1ckr s THR 416 Ca 0.08 1.46 -0.22 0.00 -1.21 0.00 0.00 61.69 61.80 1ckr s THR 416 Cb -0.02 -4.06 -0.03 0.00 -1.51 0.00 0.00 72.50 66.88 1ckr s THR 416 CO 0.80 0.11 1.83 -0.89 -2.21 0.00 0.00 174.62 174.25 1ckr s THR 417 N 1.75 3.67 0.56 5.08 2.01 -1.26 -1.38 115.64 126.07 1ckr s THR 417 Ca 0.35 -0.90 -0.16 0.00 0.31 0.00 0.00 61.69 61.30 1ckr s THR 417 Cb -0.17 -4.58 -0.05 0.00 0.01 0.00 0.00 72.50 67.71 1ckr s THR 417 CO 0.13 -1.30 1.03 0.27 -0.69 0.00 0.00 174.62 174.06 1ckr s ILE 418 N 8.67 4.12 0.54 1.82 -4.36 -0.84 -4.56 121.20 126.59 1ckr s ILE 418 Ca 0.63 1.00 -0.21 0.00 -0.26 0.00 0.00 60.65 61.81 1ckr s ILE 418 Cb -0.02 -3.53 -0.05 0.00 1.25 0.00 0.00 42.46 40.11 1ckr s ILE 418 CO 0.05 -0.60 1.21 -2.16 0.24 0.00 0.00 174.94 173.67 1ckr s PRO 419 N -4.11 3.28 -0.19 0.37 0.04 -1.26 -4.57 135.00 128.56 1ckr s PRO 419 Ca 0.61 1.84 -0.11 0.00 0.04 0.00 0.00 61.00 63.39 1ckr s PRO 419 Cb -0.13 -2.13 0.06 0.00 0.04 0.00 0.00 34.50 32.34 1ckr s PRO 419 CO 0.35 -0.96 0.47 -0.08 0.04 0.00 0.00 177.00 176.82 1ckr s THR 420 N -1.56 -0.02 -0.56 1.26 -1.32 -0.81 -4.96 115.64 107.67 1ckr s THR 420 Ca 0.72 0.07 -0.08 0.00 -1.21 0.00 0.00 61.69 61.19 1ckr s THR 420 Cb -0.30 -0.69 0.15 0.00 -1.51 0.00 0.00 72.50 70.14 1ckr s THR 420 CO 0.35 0.03 0.43 -0.75 -2.21 0.00 0.00 174.62 172.46 1ckr s LYS 421 N 1.41 2.64 -0.05 7.08 2.20 -1.25 -0.78 119.74 130.99 1ckr s LYS 421 Ca -0.09 -2.09 -0.08 0.00 -0.36 0.00 0.00 55.97 53.35 1ckr s LYS 421 Cb -0.08 -3.92 -0.05 0.00 -1.51 0.00 0.00 37.83 32.28 1ckr s LYS 421 CO -0.14 -1.19 0.23 -0.65 -0.36 0.00 0.00 175.35 173.24 1ckr s GLN 422 N 0.77 3.56 -0.32 4.03 1.11 -0.62 -4.93 119.66 123.26 1ckr s GLN 422 Ca 0.11 -0.05 0.03 0.00 0.01 0.00 0.00 55.36 55.46 1ckr s GLN 422 Cb -0.22 -3.15 0.09 0.00 -1.01 0.00 0.00 33.01 28.73 1ckr s GLN 422 CO -0.03 0.71 0.02 0.95 0.01 0.00 0.00 175.29 176.96 1ckr s THR 423 N -1.16 2.06 -0.36 -0.19 -4.23 -1.26 -0.41 115.64 110.09 1ckr s THR 423 Ca 0.22 -2.06 -0.12 0.00 -1.18 0.00 0.00 61.69 58.54 1ckr s THR 423 Cb -0.13 -2.46 0.00 0.00 1.34 0.00 0.00 72.50 71.26 1ckr s THR 423 CO 0.11 -0.49 0.23 -1.58 -0.54 0.00 0.00 174.62 172.35 1ckr s GLN 424 N 1.04 3.20 -0.40 3.99 2.00 -1.08 -4.99 119.66 123.42 1ckr s GLN 424 Ca 0.07 -0.84 -0.26 0.00 -2.00 0.00 0.00 55.36 52.32 1ckr s GLN 424 Cb -0.19 -3.79 0.02 0.00 0.80 0.00 0.00 33.01 29.85 1ckr s GLN 424 CO -0.09 -0.57 0.97 0.99 -0.50 0.00 0.00 175.29 176.09 1ckr s THR 425 N 1.66 4.49 0.20 -0.34 2.01 -1.26 -1.40 115.64 121.00 1ckr s THR 425 Ca 0.05 1.13 -0.06 0.00 0.31 0.00 0.00 61.69 63.12 1ckr s THR 425 Cb -0.18 -4.41 -0.06 0.00 0.01 0.00 0.00 72.50 67.86 1ckr s THR 425 CO 0.09 -0.68 0.46 -0.36 -0.69 0.00 0.00 174.62 173.44 1ckr s PHE 426 N 3.71 3.46 0.00 4.92 0.40 0.81 -4.90 117.98 126.38 1ckr s PHE 426 Ca 0.40 0.65 0.00 0.00 -0.60 0.00 0.00 56.93 57.38 1ckr s PHE 426 Cb -0.11 -2.09 0.00 0.00 0.51 0.00 0.00 43.02 41.34 1ckr s PHE 426 CO 0.22 0.34 0.00 -2.37 0.70 0.00 0.00 175.22 174.11 1ckr n THR 427 N -0.20 0.00 -4.25 0.64 5.66 0.38 -0.19 114.28 116.32 1ckr n THR 427 Ca -0.02 0.00 -0.18 0.00 -3.05 0.00 0.00 64.05 60.81 1ckr n THR 427 Cb 0.52 -0.26 -0.11 0.00 -1.55 0.00 0.00 70.33 68.94 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 1.90 1.36 -0.10 1.09 -4.23 -0.80 -4.11 115.64 110.75 1ckr s THR 428 Ca 0.00 -1.78 0.15 0.00 -1.18 0.00 0.00 61.69 58.88 1ckr s THR 428 Cb 0.00 -1.60 -0.20 0.00 1.34 0.00 0.00 72.50 72.04 1ckr s THR 428 CO 0.00 -0.45 0.62 0.00 -0.54 0.00 0.00 174.62 174.25 1ckr n TYR 429 N 0.42 0.79 -3.28 3.99 9.36 -1.26 -2.54 117.16 124.64 1ckr n TYR 429 Ca -0.15 0.28 -0.31 0.00 3.32 0.00 0.00 57.90 61.04 1ckr n TYR 429 Cb 0.57 -1.10 -0.05 0.00 -0.63 0.00 0.00 39.34 38.14 1ckr n TYR 429 CO 0.00 0.00 0.00 -1.12 0.22 0.00 0.00 176.86 175.96 1ckr s SER 430 N -5.82 6.62 0.62 2.98 0.01 -1.26 -4.76 113.70 112.09 1ckr s SER 430 Ca -0.05 0.99 0.30 0.00 1.31 0.00 0.00 55.95 58.50 1ckr s SER 430 Cb 0.08 -2.26 1.61 0.00 0.21 0.00 0.00 66.02 65.67 1ckr s SER 430 CO 0.82 -0.16 1.98 0.44 0.41 0.00 0.00 173.24 176.73 1ckr h ASP 431 N 2.21 0.00 -1.41 2.44 5.19 -1.92 -3.40 116.42 119.54 1ckr h ASP 431 Ca -0.47 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 55.93 1ckr h ASP 431 Cb 1.18 0.00 -0.25 0.00 0.18 0.00 0.00 39.33 40.44 1ckr h ASP 431 CO 0.67 0.00 -0.35 0.20 -3.12 0.00 0.00 179.24 176.64 1ckr s ASN 432 N -5.12 -0.71 -0.30 6.45 0.01 -1.26 -3.71 114.94 110.31 1ckr s ASN 432 Ca -0.04 0.63 -0.01 0.00 -0.71 0.00 0.00 52.86 52.73 1ckr s ASN 432 Cb 0.13 1.73 0.00 0.00 0.41 0.00 0.00 41.25 43.53 1ckr s ASN 432 CO 0.46 -0.27 0.02 1.67 -1.51 0.00 0.00 177.10 177.47 1ckr n GLN 433 N 5.40 -3.62 -0.01 -0.60 7.27 -1.26 -4.94 117.38 119.62 1ckr n GLN 433 Ca -0.02 2.87 -0.00 0.00 0.07 0.00 0.00 57.00 59.91 1ckr n GLN 433 Cb 0.51 -5.37 -0.00 0.00 2.41 0.00 0.00 30.24 27.79 1ckr n GLN 433 CO 0.00 0.00 0.00 -1.35 0.07 0.00 0.00 177.06 175.78 1ckr h PRO 434 N 3.17 0.00 -0.38 3.69 0.11 -1.89 -3.47 132.00 133.23 1ckr h PRO 434 Ca -0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.06 1ckr h PRO 434 Cb 0.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.23 1ckr h PRO 434 CO 0.09 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.29 1ckr n GLY 435 N 1.92 -0.83 3.10 -0.55 0.00 -1.26 -4.97 105.19 102.60 1ckr n GLY 435 Ca -0.00 -1.04 -0.16 0.00 0.00 0.00 0.00 46.02 44.82 1ckr n GLY 435 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ckr s VAL 436 N -0.07 0.79 -0.49 1.61 -7.23 0.21 -4.98 120.40 110.24 1ckr s VAL 436 Ca 0.00 -1.08 -0.14 0.00 -1.81 0.00 0.00 61.98 58.95 1ckr s VAL 436 Cb 0.00 -0.79 0.10 0.00 0.56 0.00 0.00 36.38 36.25 1ckr s VAL 436 CO 0.00 -0.24 0.41 -0.22 -0.31 0.00 0.00 175.10 174.74 1ckr s LEU 437 N -1.46 5.80 -0.14 1.32 1.98 -1.26 -0.86 118.68 124.05 1ckr s LEU 437 Ca -0.05 -1.62 -0.15 0.00 -2.89 0.00 0.00 54.13 49.43 1ckr s LEU 437 Cb -0.09 -2.14 -0.05 0.00 0.66 0.00 0.00 46.19 44.57 1ckr s LEU 437 CO 0.01 -0.72 0.34 -0.63 -1.89 0.00 0.00 176.35 173.45 1ckr s ILE 438 N 1.56 5.27 -0.12 6.68 -1.09 0.41 -4.91 121.20 128.99 1ckr s ILE 438 Ca 0.04 0.65 0.03 0.00 -2.23 0.00 0.00 60.65 59.13 1ckr s ILE 438 Cb -0.27 -3.67 0.01 0.00 -1.58 0.00 0.00 42.46 36.95 1ckr s ILE 438 CO 0.04 0.39 -0.22 -1.10 -1.23 0.00 0.00 174.94 172.81 1ckr s GLN 439 N 0.38 2.97 -0.15 2.79 -0.21 -1.25 -1.22 119.66 122.97 1ckr s GLN 439 Ca 0.19 -0.84 -0.18 0.00 0.02 0.00 0.00 55.36 54.54 1ckr s GLN 439 Cb -0.14 -2.35 -0.04 0.00 1.00 0.00 0.00 33.01 31.49 1ckr s GLN 439 CO 0.06 0.05 0.50 0.08 -2.12 0.00 0.00 175.29 173.85 1ckr s VAL 440 N 0.67 5.15 -0.22 1.09 1.01 0.96 -1.28 120.40 127.78 1ckr s VAL 440 Ca -0.11 0.97 0.02 0.00 0.00 0.00 0.00 61.98 62.85 1ckr s VAL 440 Cb -0.16 -3.83 0.04 0.00 0.00 0.00 0.00 36.38 32.43 1ckr s VAL 440 CO 0.02 0.26 -0.13 -0.31 0.00 0.00 0.00 175.10 174.93 1ckr s TYR 441 N 1.07 2.89 -0.65 5.22 1.51 -0.92 -2.45 117.35 124.03 1ckr s TYR 441 Ca 0.25 -1.93 -0.19 0.00 -1.01 0.00 0.00 57.07 54.19 1ckr s TYR 441 Cb -0.15 -1.85 0.11 0.00 -0.11 0.00 0.00 41.96 39.96 1ckr s TYR 441 CO 0.10 -0.82 0.79 -2.00 -1.11 0.00 0.00 175.55 172.51 1ckr s GLU 442 N 1.24 3.13 0.00 -0.62 2.12 -1.10 -2.78 118.70 120.69 1ckr s GLU 442 Ca -0.03 -1.32 0.00 0.00 0.36 0.00 0.00 54.97 53.98 1ckr s GLU 442 Cb -0.17 -4.32 0.00 0.00 0.26 0.00 0.00 34.13 29.90 1ckr s GLU 442 CO -0.08 -1.61 0.00 0.41 -0.54 0.00 0.00 175.26 173.44 1ckr n GLY 443 N 5.25 0.39 0.13 -1.50 0.00 -1.19 -2.05 105.19 106.22 1ckr n GLY 443 Ca -0.04 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.58 1ckr n GLY 443 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ckr n GLU 444 N 0.00 0.00 0.00 1.61 1.02 -1.26 -4.60 120.64 117.41 1ckr n GLU 444 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1ckr n GLU 444 Cb 0.00 -0.13 0.00 0.00 -0.02 0.00 0.00 31.44 31.29 1ckr n GLU 444 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1ckr n ARG 445 N -0.76 3.46 -2.58 3.49 0.63 -1.26 -4.22 116.66 115.42 1ckr n ARG 445 Ca 0.00 0.00 -0.43 0.00 -0.92 0.00 0.00 57.85 56.50 1ckr n ARG 445 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 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 3.94 -3.00 5.13 0.00 -1.26 -4.36 120.51 117.96 1ckr n ALA 446 Ca 0.00 -3.99 0.00 0.00 0.00 0.00 0.00 53.44 49.45 1ckr n ALA 446 Cb 0.00 -3.42 0.00 0.00 0.00 0.00 0.00 19.45 16.03 1ckr n ALA 446 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ckr n MET 447 N 7.17 0.00 -2.90 0.00 3.85 -1.26 -4.76 117.12 119.22 1ckr n MET 447 Ca 0.46 0.00 -0.18 0.00 -1.00 0.00 0.00 57.70 56.98 1ckr n MET 447 Cb 0.44 0.00 -0.01 0.00 -1.05 0.00 0.00 33.22 32.60 1ckr n MET 447 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38 1ckr n THR 448 N 0.00 1.05 0.00 3.17 -1.04 -1.22 -3.37 114.28 112.86 1ckr n THR 448 Ca 0.00 -4.35 0.00 0.00 -2.04 0.00 0.00 64.05 57.66 1ckr n THR 448 Cb 0.00 -0.31 0.00 0.00 -1.82 0.00 0.00 70.33 68.20 1ckr n THR 448 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1ckr n LYS 449 N -0.01 0.00 -2.72 -2.82 0.00 -1.26 -5.07 118.16 106.28 1ckr n LYS 449 Ca 0.23 0.00 -0.06 0.00 0.00 0.00 0.00 58.31 58.48 1ckr n LYS 449 Cb 0.66 0.00 0.05 0.00 0.00 0.00 0.00 35.03 35.74 1ckr n LYS 449 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1ckr n ASP 450 N 0.00 -2.36 -2.23 3.14 -0.08 -1.26 -5.15 116.55 108.61 1ckr n ASP 450 Ca 0.00 -2.47 -0.02 0.00 -1.51 0.00 0.00 54.79 50.79 1ckr n ASP 450 Cb 0.00 1.35 0.01 0.00 2.34 0.00 0.00 41.12 44.82 1ckr n ASP 450 CO 0.00 0.00 0.00 -0.46 0.12 0.00 0.00 177.20 176.86 1ckr n ASN 451 N 1.99 0.13 -4.35 1.67 0.23 -1.26 -4.67 115.26 108.99 1ckr n ASN 451 Ca 0.09 -1.11 -0.44 0.00 -0.53 0.00 0.00 54.58 52.60 1ckr n ASN 451 Cb 0.64 -0.05 -0.08 0.00 -2.08 0.00 0.00 39.78 38.21 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 -1.35 6.03 -0.25 0.53 0.02 -0.87 -4.93 114.94 114.12 1ckr s ASN 452 Ca 0.06 -1.41 -0.29 0.00 -1.02 0.00 0.00 52.86 50.20 1ckr s ASN 452 Cb -0.00 -2.14 -0.01 0.00 0.02 0.00 0.00 41.25 39.12 1ckr s ASN 452 CO 0.04 -0.64 1.35 -0.22 0.02 0.00 0.00 177.10 177.65 1ckr s LEU 453 N 1.59 3.96 -0.13 0.60 0.20 -1.26 -2.69 118.68 120.94 1ckr s LEU 453 Ca 0.04 1.40 -0.06 0.00 0.69 0.00 0.00 54.13 56.20 1ckr s LEU 453 Cb -0.24 -3.54 0.06 0.00 -0.43 0.00 0.00 46.19 42.04 1ckr s LEU 453 CO 0.05 -1.04 0.29 -1.48 -0.29 0.00 0.00 176.35 173.88 1ckr s LEU 454 N 4.31 -0.02 0.04 -0.68 0.05 -1.03 -5.02 118.68 116.33 1ckr s LEU 454 Ca 0.59 0.63 0.00 0.00 0.05 0.00 0.00 54.13 55.40 1ckr s LEU 454 Cb -0.19 0.84 0.00 0.00 -2.05 0.00 0.00 46.19 44.79 1ckr s LEU 454 CO 0.22 -0.20 0.00 0.61 -0.55 0.00 0.00 176.35 176.43 1ckr n GLY 455 N 4.77 -3.78 3.26 -3.48 0.00 -1.26 -3.54 105.19 101.16 1ckr n GLY 455 Ca -0.16 -0.77 -0.13 0.00 0.00 0.00 0.00 46.02 44.96 1ckr n GLY 455 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ckr s LYS 456 N -3.04 0.43 -0.01 1.61 -2.85 -1.26 -0.03 119.74 114.59 1ckr s LYS 456 Ca 0.00 0.52 -0.11 0.00 -1.00 0.00 0.00 55.97 55.38 1ckr s LYS 456 Cb 0.00 0.20 0.01 0.00 -2.06 0.00 0.00 37.83 35.98 1ckr s LYS 456 CO 0.00 -0.06 0.22 -0.59 0.10 0.00 0.00 175.35 175.03 1ckr s PHE 457 N 0.24 -0.08 -0.26 1.78 -0.71 -0.36 -5.02 117.98 113.57 1ckr s PHE 457 Ca -0.00 0.10 -0.09 0.00 -1.04 0.00 0.00 56.93 55.89 1ckr s PHE 457 Cb -0.03 0.03 -0.04 0.00 -1.21 0.00 0.00 43.02 41.77 1ckr s PHE 457 CO 0.00 -0.33 0.12 -2.00 -1.34 0.00 0.00 175.22 171.67 1ckr s GLU 458 N -1.28 3.80 -0.18 1.99 2.12 -1.26 -0.45 118.70 123.44 1ckr s GLU 458 Ca -0.13 -0.40 -0.07 0.00 0.36 0.00 0.00 54.97 54.73 1ckr s GLU 458 Cb -0.06 -3.46 -0.04 0.00 0.26 0.00 0.00 34.13 30.83 1ckr s GLU 458 CO 0.03 -0.15 0.04 -1.17 -0.54 0.00 0.00 175.26 173.47 1ckr s LEU 459 N 1.59 3.70 0.04 2.70 1.98 -0.04 -4.97 118.68 123.67 1ckr s LEU 459 Ca 0.06 0.03 -0.11 0.00 -2.89 0.00 0.00 54.13 51.22 1ckr s LEU 459 Cb -0.15 -1.93 0.01 0.00 0.66 0.00 0.00 46.19 44.78 1ckr s LEU 459 CO 0.06 0.16 0.24 0.42 -1.89 0.00 0.00 176.35 175.34 1ckr s THR 460 N 0.42 0.10 0.00 3.68 -4.23 -1.26 -0.62 115.64 113.73 1ckr s THR 460 Ca 0.02 -0.80 0.00 0.00 -1.18 0.00 0.00 61.69 59.73 1ckr s THR 460 Cb -0.13 -0.90 0.00 0.00 1.34 0.00 0.00 72.50 72.81 1ckr s THR 460 CO 0.01 -0.44 0.00 0.61 -0.54 0.00 0.00 174.62 174.26 1ckr n GLY 461 N 0.68 0.58 3.88 3.99 0.00 -1.26 -5.06 105.19 108.00 1ckr n GLY 461 Ca -0.19 -0.79 -0.35 0.00 0.00 0.00 0.00 46.02 44.70 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 -0.66 5.24 -0.10 -0.61 1.01 -1.26 -4.90 121.20 119.93 1ckr s ILE 462 Ca 0.00 0.28 -0.29 0.00 0.00 0.00 0.00 60.65 60.64 1ckr s ILE 462 Cb 0.00 -3.59 -0.06 0.00 0.01 0.00 0.00 42.46 38.83 1ckr s ILE 462 CO 0.00 0.37 1.81 -2.16 0.00 0.00 0.00 174.94 174.96 1ckr s PRO 463 N -1.71 3.91 -1.20 2.79 0.04 -1.26 -4.45 135.00 133.12 1ckr s PRO 463 Ca 0.28 2.13 -0.19 0.00 0.04 0.00 0.00 61.00 63.26 1ckr s PRO 463 Cb -0.14 -4.10 0.08 0.00 0.04 0.00 0.00 34.50 30.38 1ckr s PRO 463 CO 0.16 -1.18 1.60 -1.25 0.04 0.00 0.00 177.00 176.37 1ckr s PRO 464 N 4.66 3.87 0.41 0.56 0.04 -1.26 -4.30 135.00 138.98 1ckr s PRO 464 Ca 0.81 -1.81 0.08 0.00 0.04 0.00 0.00 61.00 60.11 1ckr s PRO 464 Cb -0.33 -5.41 -0.01 0.00 0.04 0.00 0.00 34.50 28.78 1ckr s PRO 464 CO 0.33 -2.17 0.45 0.00 0.04 0.00 0.00 177.00 175.65 1ckr s ALA 465 N 4.09 4.23 0.70 8.56 0.00 -1.26 -4.90 121.76 133.18 1ckr s ALA 465 Ca 0.50 -1.77 -0.15 0.00 0.00 0.00 0.00 51.96 50.54 1ckr s ALA 465 Cb 0.02 -1.28 0.02 0.00 0.00 0.00 0.00 23.12 21.88 1ckr s ALA 465 CO 0.01 -0.22 1.17 -2.14 0.00 0.00 0.00 175.76 174.58 1ckr s PRO 466 N -4.20 2.38 -0.27 0.00 0.02 -1.25 -4.08 135.00 127.60 1ckr s PRO 466 Ca 0.50 1.61 -0.37 0.00 0.02 0.00 0.00 61.00 62.76 1ckr s PRO 466 Cb -0.06 -1.88 -0.17 0.00 0.02 0.00 0.00 34.50 32.41 1ckr s PRO 466 CO 0.30 -1.61 1.18 -2.13 -0.33 0.00 0.00 177.00 174.40 1ckr n ARG 467 N -2.61 0.00 0.00 5.54 0.63 -1.24 -1.01 116.66 117.97 1ckr n ARG 467 Ca 0.12 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.05 1ckr n ARG 467 Cb 0.51 -1.25 0.00 0.00 0.45 0.00 0.00 32.46 32.17 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 2.59 2.42 0.13 5.14 0.00 -1.05 -4.93 105.19 109.49 1ckr n GLY 468 Ca 0.23 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.05 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 1.68 -1.69 1.61 0.31 -0.18 -4.50 118.33 113.56 1ckr n VAL 469 Ca 0.00 -0.64 -0.44 0.00 -0.01 0.00 0.00 64.34 63.25 1ckr n VAL 469 Cb 0.00 -1.59 -0.02 0.00 -0.91 0.00 0.00 33.84 31.32 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 -3.39 2.21 -3.68 5.55 -0.02 -1.26 -4.86 135.00 129.55 1ckr n PRO 470 Ca -0.36 0.78 -0.10 0.00 -2.02 0.00 0.00 63.50 61.81 1ckr n PRO 470 Cb 1.03 -2.45 -0.05 0.00 -0.02 0.00 0.00 33.50 32.01 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 -0.79 1.07 -0.06 -0.52 -2.07 -1.26 -1.91 119.66 114.12 1ckr s GLN 471 Ca 0.64 -0.77 -0.02 0.00 -1.82 0.00 0.00 55.36 53.39 1ckr s GLN 471 Cb -0.60 0.46 0.04 0.00 -1.09 0.00 0.00 33.01 31.82 1ckr s GLN 471 CO 0.52 -0.41 0.11 0.96 -1.32 0.00 0.00 175.29 175.15 1ckr s ILE 472 N -3.82 -0.12 -0.55 3.63 -0.00 0.73 -4.34 121.20 116.72 1ckr s ILE 472 Ca 0.04 0.29 -0.24 0.00 -0.00 0.00 0.00 60.65 60.74 1ckr s ILE 472 Cb 0.02 -0.20 0.04 0.00 -0.00 0.00 0.00 42.46 42.32 1ckr s ILE 472 CO -0.11 0.12 0.93 -0.70 -0.00 0.00 0.00 174.94 175.18 1ckr s GLU 473 N 1.68 3.32 -0.83 0.37 2.12 0.91 -0.13 118.70 126.13 1ckr s GLU 473 Ca -0.03 -0.30 -0.25 0.00 0.36 0.00 0.00 54.97 54.76 1ckr s GLU 473 Cb -0.12 -4.06 0.05 0.00 0.26 0.00 0.00 34.13 30.26 1ckr s GLU 473 CO -0.05 -1.48 1.29 0.08 -0.54 0.00 0.00 175.26 174.56 1ckr s VAL 474 N 3.88 3.93 -0.13 3.70 1.01 -0.49 -0.50 120.40 131.80 1ckr s VAL 474 Ca 0.30 -0.20 -0.16 0.00 0.00 0.00 0.00 61.98 61.91 1ckr s VAL 474 Cb -0.13 -4.93 -0.04 0.00 0.00 0.00 0.00 36.38 31.28 1ckr s VAL 474 CO 0.19 -1.81 0.41 -0.89 0.00 0.00 0.00 175.10 172.99 1ckr s THR 475 N 5.08 5.23 -0.43 3.92 2.01 0.37 -2.65 115.64 129.17 1ckr s THR 475 Ca 0.37 0.80 -0.01 0.00 0.31 0.00 0.00 61.69 63.16 1ckr s THR 475 Cb -0.06 -3.74 0.12 0.00 0.01 0.00 0.00 72.50 68.82 1ckr s THR 475 CO 0.05 0.36 0.21 -0.36 -0.69 0.00 0.00 174.62 174.18 1ckr s PHE 476 N 0.50 3.58 -0.63 4.92 0.40 0.46 0.05 117.98 127.26 1ckr s PHE 476 Ca 0.22 -2.64 -0.14 0.00 -0.60 0.00 0.00 56.93 53.77 1ckr s PHE 476 Cb -0.14 -3.13 0.16 0.00 0.51 0.00 0.00 43.02 40.41 1ckr s PHE 476 CO 0.08 -0.94 0.57 0.34 0.70 0.00 0.00 175.22 175.98 1ckr s ASP 477 N 1.33 6.31 -0.03 1.36 2.15 -0.61 -1.59 116.67 125.59 1ckr s ASP 477 Ca 0.11 -2.13 -0.20 0.00 0.43 0.00 0.00 52.55 50.76 1ckr s ASP 477 Cb -0.22 -2.18 -0.05 0.00 -0.30 0.00 0.00 42.92 40.17 1ckr s ASP 477 CO -0.05 -0.74 0.56 -0.63 -0.17 0.00 0.00 175.17 174.15 1ckr s ILE 478 N 1.05 4.99 0.32 4.11 1.01 0.04 -0.71 121.20 132.01 1ckr s ILE 478 Ca 0.09 1.17 -0.06 0.00 0.00 0.00 0.00 60.65 61.84 1ckr s ILE 478 Cb -0.23 -3.90 -0.06 0.00 0.01 0.00 0.00 42.46 38.29 1ckr s ILE 478 CO -0.01 0.40 0.62 -1.81 0.00 0.00 0.00 174.94 174.13 1ckr s ASP 479 N -0.03 6.47 0.56 3.58 1.01 0.10 -1.93 116.67 126.44 1ckr s ASP 479 Ca 0.30 0.83 0.31 0.00 0.71 0.00 0.00 52.55 54.71 1ckr s ASP 479 Cb -0.17 -2.20 1.45 0.00 1.01 0.00 0.00 42.92 43.01 1ckr s ASP 479 CO 0.15 -0.26 1.82 0.00 0.21 0.00 0.00 175.17 177.10 1ckr h ALA 480 N 1.55 2.67 -0.31 5.23 0.00 -1.88 -1.91 119.26 124.62 1ckr h ALA 480 Ca -0.48 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.25 1ckr h ALA 480 Cb 1.19 0.06 -0.09 0.00 0.00 0.00 0.00 17.79 18.95 1ckr h ALA 480 CO 0.65 -1.10 0.21 0.09 0.00 0.00 0.00 179.25 179.10 1ckr n ASN 481 N -3.95 3.40 -3.62 0.00 4.13 -1.26 -4.84 115.26 109.12 1ckr n ASN 481 Ca 0.17 -2.51 -0.21 0.00 1.68 0.00 0.00 54.58 53.71 1ckr n ASN 481 Cb 0.97 -0.63 0.04 0.00 -1.54 0.00 0.00 39.78 38.62 1ckr n ASN 481 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1ckr n GLY 482 N 0.04 -0.43 3.12 7.41 0.00 -0.74 -4.81 105.19 109.78 1ckr n GLY 482 Ca 0.18 0.19 -0.33 0.00 0.00 0.00 0.00 46.02 46.06 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 -3.59 2.13 -0.40 -0.61 1.01 -1.10 -4.17 121.20 114.47 1ckr s ILE 483 Ca 0.08 -1.03 -0.16 0.00 0.00 0.00 0.00 60.65 59.54 1ckr s ILE 483 Cb -0.02 -1.95 0.01 0.00 0.01 0.00 0.00 42.46 40.51 1ckr s ILE 483 CO 0.80 0.45 0.37 -0.22 0.00 0.00 0.00 174.94 176.34 1ckr s LEU 484 N 1.27 4.84 -0.86 2.97 2.96 -0.87 0.03 118.68 129.02 1ckr s LEU 484 Ca 0.03 -0.65 -0.21 0.00 -0.22 0.00 0.00 54.13 53.08 1ckr s LEU 484 Cb -0.14 -2.30 0.09 0.00 0.50 0.00 0.00 46.19 44.34 1ckr s LEU 484 CO -0.11 -0.48 1.15 0.21 -1.32 0.00 0.00 176.35 175.79 1ckr s ASN 485 N 1.75 6.45 -0.24 3.68 3.84 0.12 -0.89 114.94 129.65 1ckr s ASN 485 Ca 0.10 -1.54 -0.20 0.00 0.21 0.00 0.00 52.86 51.43 1ckr s ASN 485 Cb -0.18 -2.45 -0.02 0.00 -0.55 0.00 0.00 41.25 38.06 1ckr s ASN 485 CO 0.12 -1.30 0.60 -0.69 -2.79 0.00 0.00 177.10 173.04 1ckr s VAL 486 N 3.69 5.02 -0.25 -5.21 1.01 -0.04 -1.58 120.40 123.03 1ckr s VAL 486 Ca 0.32 1.09 0.01 0.00 0.00 0.00 0.00 61.98 63.40 1ckr s VAL 486 Cb -0.08 -3.91 0.07 0.00 0.00 0.00 0.00 36.38 32.46 1ckr s VAL 486 CO -0.03 0.07 -0.02 -0.55 0.00 0.00 0.00 175.10 174.57 1ckr s SER 487 N 1.39 3.96 -0.22 3.32 0.15 0.11 -1.70 113.70 120.70 1ckr s SER 487 Ca 0.26 -1.33 -0.25 0.00 0.70 0.00 0.00 55.95 55.33 1ckr s SER 487 Cb -0.16 -1.18 -0.01 0.00 -1.71 0.00 0.00 66.02 62.96 1ckr s SER 487 CO 0.09 -0.27 0.85 0.00 1.20 0.00 0.00 173.24 175.11 1ckr s ALA 488 N 1.37 3.62 -0.19 5.45 0.00 -1.01 -0.48 121.76 130.53 1ckr s ALA 488 Ca -0.02 -0.05 -0.00 0.00 0.00 0.00 0.00 51.96 51.88 1ckr s ALA 488 Cb -0.19 -3.30 0.01 0.00 0.00 0.00 0.00 23.12 19.64 1ckr s ALA 488 CO -0.08 -0.86 -0.15 0.08 0.00 0.00 0.00 175.76 174.74 1ckr s VAL 489 N 2.69 2.52 -1.22 0.00 1.01 0.34 -2.64 120.40 123.10 1ckr s VAL 489 Ca 0.37 -0.79 -0.19 0.00 0.00 0.00 0.00 61.98 61.37 1ckr s VAL 489 Cb -0.16 -2.09 0.08 0.00 0.00 0.00 0.00 36.38 34.22 1ckr s VAL 489 CO 0.09 0.50 1.63 -1.81 0.00 0.00 0.00 175.10 175.50 1ckr s ASP 490 N 1.25 6.78 0.13 3.32 1.01 0.11 -0.06 116.67 129.21 1ckr s ASP 490 Ca 0.03 -2.28 -0.14 0.00 0.71 0.00 0.00 52.55 50.88 1ckr s ASP 490 Cb -0.14 -2.55 -0.02 0.00 1.01 0.00 0.00 42.92 41.22 1ckr s ASP 490 CO -0.08 -1.20 1.56 0.50 0.21 0.00 0.00 175.17 176.16 1ckr h LYS 491 N 8.05 0.76 -0.28 8.23 3.64 -1.82 0.13 116.57 135.29 1ckr h LYS 491 Ca 0.37 -0.27 0.03 0.00 -1.27 0.00 0.00 60.65 59.51 1ckr h LYS 491 Cb 0.91 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.65 1ckr h LYS 491 CO 1.42 0.86 0.19 0.77 -2.27 0.00 0.00 179.45 180.42 1ckr h SER 492 N 0.59 0.23 0.87 4.20 0.02 -1.89 -0.95 113.55 116.62 1ckr h SER 492 Ca 0.11 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 1ckr h SER 492 Cb 0.55 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.04 1ckr h SER 492 CO 0.03 0.16 -0.10 0.41 -1.14 0.00 0.00 176.83 176.19 1ckr n THR 493 N -4.49 0.00 -3.85 -2.27 -1.04 -1.04 -5.02 114.28 96.58 1ckr n THR 493 Ca 0.02 -0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.71 1ckr n THR 493 Cb 0.16 -0.34 0.01 0.00 -1.82 0.00 0.00 70.33 68.34 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 1.49 -1.12 2.73 3.41 0.00 0.40 -5.01 105.19 107.08 1ckr n GLY 494 Ca 0.07 0.49 -0.20 0.00 0.00 0.00 0.00 46.02 46.38 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 -5.82 0.15 0.12 1.61 2.47 -0.78 -5.00 119.74 112.49 1ckr s LYS 495 Ca 0.22 0.16 0.07 0.00 -1.56 0.00 0.00 55.97 54.86 1ckr s LYS 495 Cb -0.11 -1.29 -0.04 0.00 -1.46 0.00 0.00 37.83 34.93 1ckr s LYS 495 CO 0.91 -0.64 -0.15 -1.83 0.16 0.00 0.00 175.35 173.80 1ckr s GLU 496 N 2.28 1.06 -0.02 4.03 -1.05 -1.26 0.05 118.70 123.79 1ckr s GLU 496 Ca 0.06 -1.24 0.03 0.00 -0.15 0.00 0.00 54.97 53.66 1ckr s GLU 496 Cb -0.16 -1.02 -0.00 0.00 -0.44 0.00 0.00 34.13 32.51 1ckr s GLU 496 CO -0.11 0.21 -0.09 1.21 0.95 0.00 0.00 175.26 177.43 1ckr s ASN 497 N -2.37 1.13 0.03 0.83 2.47 -1.08 -5.01 114.94 110.94 1ckr s ASN 497 Ca 0.09 -0.17 0.02 0.00 0.42 0.00 0.00 52.86 53.22 1ckr s ASN 497 Cb -0.06 -0.24 -0.02 0.00 -1.45 0.00 0.00 41.25 39.48 1ckr s ASN 497 CO 0.04 0.08 -0.08 -1.59 -3.72 0.00 0.00 177.10 171.83 1ckr s LYS 498 N 0.05 0.54 -0.11 0.43 -2.85 -1.26 -2.40 119.74 114.14 1ckr s LYS 498 Ca -0.01 -0.62 0.03 0.00 -1.00 0.00 0.00 55.97 54.37 1ckr s LYS 498 Cb -0.07 -0.38 0.00 0.00 -2.06 0.00 0.00 37.83 35.33 1ckr s LYS 498 CO 0.00 0.08 -0.23 -1.50 0.10 0.00 0.00 175.35 173.81 1ckr s ILE 499 N -1.03 2.14 -0.42 3.79 2.07 -0.69 -4.95 121.20 122.11 1ckr s ILE 499 Ca -0.06 -0.98 -0.15 0.00 -1.41 0.00 0.00 60.65 58.04 1ckr s ILE 499 Cb -0.08 -1.83 0.03 0.00 0.13 0.00 0.00 42.46 40.71 1ckr s ILE 499 CO 0.00 0.55 0.33 -0.89 -1.91 0.00 0.00 174.94 173.03 1ckr s THR 500 N 0.46 5.23 -0.34 4.00 2.01 -1.26 -0.86 115.64 124.88 1ckr s THR 500 Ca -0.15 -0.66 -0.16 0.00 0.31 0.00 0.00 61.69 61.03 1ckr s THR 500 Cb -0.17 -3.97 -0.01 0.00 0.01 0.00 0.00 72.50 68.36 1ckr s THR 500 CO 0.06 -0.36 0.40 -0.63 -0.69 0.00 0.00 174.62 173.40 1ckr s ILE 501 N 1.74 5.13 -0.09 1.82 1.01 -0.07 -4.94 121.20 125.80 1ckr s ILE 501 Ca 0.06 0.13 -0.22 0.00 0.00 0.00 0.00 60.65 60.62 1ckr s ILE 501 Cb -0.19 -3.85 -0.04 0.00 0.01 0.00 0.00 42.46 38.39 1ckr s ILE 501 CO 0.10 -0.11 0.63 0.42 0.00 0.00 0.00 174.94 175.98 1ckr s THR 502 N 2.10 5.09 -1.41 2.92 -4.23 -1.26 -2.04 115.64 116.81 1ckr s THR 502 Ca 0.13 1.28 -0.11 0.00 -1.18 0.00 0.00 61.69 61.81 1ckr s THR 502 Cb -0.16 -3.97 0.08 0.00 1.34 0.00 0.00 72.50 69.79 1ckr s THR 502 CO 0.12 0.26 2.19 -3.20 -0.54 0.00 0.00 174.62 173.45 1ckr n ASN 503 N 3.86 5.05 -0.07 3.99 2.85 -1.26 -4.58 115.26 125.10 1ckr n ASN 503 Ca -0.03 -2.93 -0.10 0.00 -0.11 0.00 0.00 54.58 51.41 1ckr n ASN 503 Cb 0.51 -1.57 -0.06 0.00 1.24 0.00 0.00 39.78 39.91 1ckr n ASN 503 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 1ckr n ASP 504 N 4.78 2.73 -4.41 1.20 8.00 -1.26 -4.72 116.55 122.87 1ckr n ASP 504 Ca 0.51 -0.04 -0.44 0.00 0.71 0.00 0.00 54.79 55.53 1ckr n ASP 504 Cb 0.35 -0.24 -0.05 0.00 -0.02 0.00 0.00 41.12 41.17 1ckr n ASP 504 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1ckr s LYS 505 N -2.27 3.09 0.00 -1.24 1.02 -1.26 -4.36 119.74 114.72 1ckr s LYS 505 Ca -0.18 -1.09 0.00 0.00 0.02 0.00 0.00 55.97 54.71 1ckr s LYS 505 Cb 0.05 -4.19 0.00 0.00 -0.52 0.00 0.00 37.83 33.17 1ckr s LYS 505 CO 0.30 -1.44 0.00 0.41 -0.92 0.00 0.00 175.35 173.71 1ckr n GLY 506 N 5.24 1.42 4.15 -3.33 0.00 -1.26 -4.92 105.19 106.49 1ckr n GLY 506 Ca -0.08 -0.17 -0.31 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.58 -0.28 1.61 5.12 -1.26 -4.94 116.66 114.33 1ckr n ARG 506 Ca 0.00 0.31 -0.05 0.00 -1.93 0.00 0.00 57.85 56.18 1ckr n ARG 506 Cb 0.00 -4.50 -0.03 0.00 -1.16 0.00 0.00 32.46 26.77 1ckr n ARG 506 CO 0.00 0.00 0.00 1.47 -1.93 0.00 0.00 177.63 177.17 1ckr n LEU 507 N -4.42 -0.61 0.00 0.55 -0.00 -1.26 -4.89 117.00 106.38 1ckr n LEU 507 Ca -0.18 1.22 0.00 0.00 -0.00 0.00 0.00 56.01 57.05 1ckr n LEU 507 Cb 0.62 -0.21 0.00 0.00 -0.00 0.00 0.00 43.42 43.83 1ckr n LEU 507 CO 0.82 -1.04 0.00 -0.24 -0.00 0.00 0.00 177.39 176.93 1ckr n SER 508 N -4.93 0.00 -0.29 1.45 2.88 -1.26 -2.72 113.62 108.75 1ckr n SER 508 Ca 0.04 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 57.67 1ckr n SER 508 Cb 0.22 0.00 0.25 0.00 -0.75 0.00 0.00 64.21 63.93 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 0.45 0.12 -1.46 -0.00 -1.99 -2.77 116.57 110.92 1ckr h LYS 509 Ca 0.00 -0.03 -0.01 0.00 -0.00 0.00 0.00 60.65 60.62 1ckr h LYS 509 Cb 0.00 -0.10 0.00 0.00 -0.00 0.00 0.00 32.23 32.13 1ckr h LYS 509 CO 0.00 0.30 -0.06 1.05 -0.00 0.00 0.00 179.45 180.74 1ckr h GLU 510 N 0.47 -0.16 -0.46 0.07 4.11 -1.92 -2.73 114.58 113.96 1ckr h GLU 510 Ca 0.49 0.01 -0.13 0.00 0.07 0.00 0.00 59.36 59.80 1ckr h GLU 510 Cb 0.82 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.09 1ckr h GLU 510 CO -0.45 0.31 -0.24 -0.44 0.07 0.00 0.00 179.01 178.26 1ckr h ASP 511 N -0.88 1.00 0.21 3.06 3.32 -1.62 -2.81 116.42 118.70 1ckr h ASP 511 Ca -0.02 -0.41 -0.01 0.00 0.02 0.00 0.00 57.03 56.62 1ckr h ASP 511 Cb 0.54 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.81 1ckr h ASP 511 CO 0.03 1.19 -0.10 0.40 -1.72 0.00 0.00 179.24 179.03 1ckr h ILE 512 N 0.82 0.86 -0.82 0.35 5.03 -1.65 -1.42 117.51 120.68 1ckr h ILE 512 Ca 0.10 -0.74 0.12 0.00 -0.12 0.00 0.00 64.86 64.22 1ckr h ILE 512 Cb 0.82 1.27 -0.08 0.00 -3.03 0.00 0.00 36.82 35.80 1ckr h ILE 512 CO 0.07 0.16 0.43 -0.08 -0.68 0.00 0.00 178.15 178.05 1ckr h GLU 513 N -0.68 0.65 0.10 2.37 4.81 -1.60 -2.14 114.58 118.08 1ckr h GLU 513 Ca -0.03 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1ckr h GLU 513 Cb 0.48 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.71 1ckr h GLU 513 CO 0.05 0.43 -0.05 0.07 -0.73 0.00 0.00 179.01 178.78 1ckr h ARG 514 N 0.67 -0.12 0.00 1.92 0.11 -1.57 -3.41 114.38 111.98 1ckr h ARG 514 Ca 0.42 0.01 -0.02 0.00 0.10 0.00 0.00 59.98 60.49 1ckr h ARG 514 Cb 0.51 0.03 -0.00 0.00 1.11 0.00 0.00 29.97 31.62 1ckr h ARG 514 CO -0.31 0.29 -0.27 0.52 0.10 0.00 0.00 179.97 180.30 1ckr h MET 515 N -0.58 0.00 -0.15 0.08 2.86 -1.22 -3.40 114.93 112.52 1ckr h MET 515 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1ckr h MET 515 Cb 0.47 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.13 1ckr h MET 515 CO 0.02 0.17 0.00 1.55 1.06 0.00 0.00 176.91 179.71 1ckr n VAL 516 N -4.68 0.00 -0.11 -2.22 3.14 -0.81 -0.32 118.33 113.33 1ckr n VAL 516 Ca -0.06 0.00 -0.20 0.00 -2.96 0.00 0.00 64.34 61.12 1ckr n VAL 516 Cb 0.19 -0.20 -0.12 0.00 -1.06 0.00 0.00 33.84 32.64 1ckr n VAL 516 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1ckr n GLN 517 N -0.35 0.66 0.02 1.45 6.02 -1.26 -4.31 117.38 119.61 1ckr n GLN 517 Ca 0.00 0.19 0.12 0.00 -0.01 0.00 0.00 57.00 57.30 1ckr n GLN 517 Cb 0.04 -1.55 0.28 0.00 1.02 0.00 0.00 30.24 30.03 1ckr n GLN 517 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 177.06 175.20 1ckr n GLU 518 N -3.44 0.09 0.00 -1.09 0.28 -0.92 -4.35 120.64 111.21 1ckr n GLU 518 Ca -0.45 0.03 0.00 0.00 -0.16 0.00 0.00 57.16 56.58 1ckr n GLU 518 Cb 0.98 -1.56 0.00 0.00 1.43 0.00 0.00 31.44 32.29 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 -1.60 0.00 -0.31 -1.84 0.00 0.56 -4.31 120.51 113.01 1ckr n ALA 519 Ca 0.05 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.64 1ckr n ALA 519 Cb 0.37 0.00 0.33 0.00 0.00 0.00 0.00 19.45 20.15 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 0.30 0.00 0.00 -0.00 -1.75 -0.97 114.58 112.16 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 -0.07 0.00 0.00 -0.00 0.00 0.00 28.75 28.68 1ckr h GLU 520 CO 0.00 0.20 0.00 1.17 -0.00 0.00 0.00 179.01 180.38 1ckr n LYS 521 N -5.12 0.00 0.00 1.06 0.00 -1.26 -2.64 118.16 110.21 1ckr n LYS 521 Ca 0.23 0.53 0.01 0.00 0.00 0.00 0.00 58.31 59.08 1ckr n LYS 521 Cb 0.72 -1.26 0.04 0.00 0.00 0.00 0.00 35.03 34.53 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 -1.68 0.00 -0.08 5.64 4.19 -0.87 -2.62 117.16 121.74 1ckr n TYR 522 Ca 0.00 0.00 -0.09 0.00 3.31 0.00 0.00 57.90 61.12 1ckr n TYR 522 Cb 0.00 -0.20 -0.03 0.00 0.49 0.00 0.00 39.34 39.60 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 -1.20 0.50 0.32 2.98 4.81 -0.42 -0.45 118.16 124.70 1ckr n LYS 523 Ca 0.01 0.20 0.19 0.00 -0.87 0.00 0.00 58.31 57.84 1ckr n LYS 523 Cb 0.01 -1.38 1.08 0.00 0.02 0.00 0.00 35.03 34.76 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 -0.94 1.22 0.10 3.14 0.00 -1.60 -0.59 119.26 120.59 1ckr h ALA 524 Ca -0.03 -0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.62 1ckr h ALA 524 Cb 0.97 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 1ckr h ALA 524 CO -0.02 0.01 -1.18 1.49 0.00 0.00 0.00 179.25 179.55 1ckr h GLU 525 N 0.00 0.23 0.00 0.00 4.81 -1.68 -2.99 114.58 114.95 1ckr h GLU 525 Ca -0.00 -0.38 0.00 0.00 -0.13 0.00 0.00 59.36 58.85 1ckr h GLU 525 Cb 0.02 0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.54 1ckr h GLU 525 CO 0.00 1.17 0.23 0.22 -0.73 0.00 0.00 179.01 179.90 1ckr h ASP 526 N 0.07 0.00 -2.19 1.04 3.58 0.85 -3.46 116.42 116.30 1ckr h ASP 526 Ca -0.11 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.34 1ckr h ASP 526 Cb 1.91 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.96 1ckr h ASP 526 CO 0.19 0.00 0.00 -0.62 -2.88 0.00 0.00 179.24 175.93 1ckr n GLU 527 N -2.60 0.00 -1.48 0.28 -0.58 -0.96 -3.95 120.64 111.35 1ckr n GLU 527 Ca -0.02 0.37 -0.17 0.00 -0.42 0.00 0.00 57.16 56.92 1ckr n GLU 527 Cb 0.27 -1.10 -0.07 0.00 -0.57 0.00 0.00 31.44 29.97 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 -0.56 -1.32 0.00 3.49 4.01 -1.19 -4.59 118.16 118.00 1ckr n LYS 528 Ca 0.00 1.08 0.00 0.00 -0.51 0.00 0.00 58.31 58.88 1ckr n LYS 528 Cb 0.20 -5.36 0.00 0.00 -0.51 0.00 0.00 35.03 29.35 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 -2.20 0.00 -2.67 1.97 0.00 -1.08 -0.43 117.38 112.98 1ckr n GLN 529 Ca -0.17 0.00 -0.31 0.00 0.00 0.00 0.00 57.00 56.52 1ckr n GLN 529 Cb 0.59 0.00 -0.01 0.00 0.00 0.00 0.00 30.24 30.82 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 0.00 3.69 -3.91 2.61 5.12 -1.26 -4.99 116.66 117.91 1ckr n ARG 530 Ca 0.00 -4.61 -0.22 0.00 -1.93 0.00 0.00 57.85 51.10 1ckr n ARG 530 Cb 0.00 -2.29 -0.04 0.00 -1.16 0.00 0.00 32.46 28.97 1ckr n ARG 530 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1ckr s ASP 531 N -2.81 5.23 -1.25 0.55 2.15 0.43 -4.53 116.67 116.45 1ckr s ASP 531 Ca 0.47 -0.49 -0.21 0.00 0.43 0.00 0.00 52.55 52.75 1ckr s ASP 531 Cb 0.31 -1.01 0.01 0.00 -0.30 0.00 0.00 42.92 41.93 1ckr s ASP 531 CO -0.18 -0.28 0.62 0.29 -0.17 0.00 0.00 175.17 175.45 1ckr n LYS 532 N -1.30 -1.16 0.00 4.34 4.76 -1.18 -4.97 118.16 118.65 1ckr n LYS 532 Ca -0.03 0.27 0.00 0.00 -2.87 0.00 0.00 58.31 55.68 1ckr n LYS 532 Cb 0.60 -3.55 0.00 0.00 -1.84 0.00 0.00 35.03 30.24 1ckr n LYS 532 CO 0.00 0.00 0.00 1.55 -1.37 0.00 0.00 177.40 177.58 1ckr n VAL 533 N -4.58 0.00 -0.10 -0.18 3.14 -1.11 -4.73 118.33 110.76 1ckr n VAL 533 Ca -0.16 0.00 -0.13 0.00 -2.96 0.00 0.00 64.34 61.09 1ckr n VAL 533 Cb 0.61 0.00 -0.09 0.00 -1.06 0.00 0.00 33.84 33.30 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 -1.72 -2.20 6.55 0.87 -1.87 -3.36 113.55 111.82 1ckr h SER 534 Ca 0.00 0.23 -0.52 0.00 -1.23 0.00 0.00 61.79 60.26 1ckr h SER 534 Cb 0.00 0.71 -0.35 0.00 -0.44 0.00 0.00 62.40 62.31 1ckr h SER 534 CO 0.00 -0.42 -0.89 -0.55 -0.53 0.00 0.00 176.83 174.44 1ckr s SER 535 N -5.00 1.19 0.00 6.23 0.15 -1.26 -4.99 113.70 110.02 1ckr s SER 535 Ca -0.15 -2.75 0.00 0.00 0.70 0.00 0.00 55.95 53.76 1ckr s SER 535 Cb 0.09 -0.10 0.00 0.00 -1.71 0.00 0.00 66.02 64.30 1ckr s SER 535 CO 0.62 -0.17 0.00 1.17 1.20 0.00 0.00 173.24 176.06 1ckr n LYS 536 N 3.04 0.00 -2.53 5.44 0.00 -1.26 -3.16 118.16 119.69 1ckr n LYS 536 Ca 0.26 0.00 -0.21 0.00 0.00 0.00 0.00 58.31 58.36 1ckr n LYS 536 Cb 0.48 0.00 0.01 0.00 0.00 0.00 0.00 35.03 35.52 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 2.04 3.67 -4.91 3.14 4.13 -1.26 -2.77 115.26 119.30 1ckr n ASN 537 Ca 0.00 -3.39 -0.23 0.00 1.68 0.00 0.00 54.58 52.63 1ckr n ASN 537 Cb 0.00 -0.48 -0.03 0.00 -1.54 0.00 0.00 39.78 37.73 1ckr n ASN 537 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 1ckr s SER 538 N -3.41 6.05 -0.63 6.41 1.04 -1.19 -0.47 113.70 121.49 1ckr s SER 538 Ca 0.41 0.01 0.05 0.00 0.48 0.00 0.00 55.95 56.90 1ckr s SER 538 Cb 0.42 -1.72 0.29 0.00 0.10 0.00 0.00 66.02 65.11 1ckr s SER 538 CO -0.11 -0.01 0.87 -0.11 0.98 0.00 0.00 173.24 174.86 1ckr n LEU 539 N -0.94 4.22 0.00 2.42 7.94 -1.26 -4.21 117.00 125.17 1ckr n LEU 539 Ca -0.08 -5.54 0.00 0.00 -1.11 0.00 0.00 56.01 49.27 1ckr n LEU 539 Cb 0.56 -0.65 0.00 0.00 0.53 0.00 0.00 43.42 43.86 1ckr n LEU 539 CO 0.45 2.18 0.00 -1.84 -1.11 0.00 0.00 177.39 177.07