#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vsv s HIS -21 N 0.00 3.55 0.07 1.12 2.46 -1.26 -5.06 115.29 116.18 2vsv s HIS -21 Ca 0.00 1.53 0.08 0.00 0.47 0.00 0.00 55.06 57.13 2vsv s HIS -21 Cb 0.00 -3.31 -0.04 0.00 -0.13 0.00 0.00 32.58 29.11 2vsv s HIS -21 CO 0.00 -0.75 -0.18 -1.01 -2.47 0.00 0.00 174.74 170.33 2vsv s HIS -20 N 0.15 2.56 0.05 3.88 3.76 -1.26 -5.11 115.29 119.31 2vsv s HIS -20 Ca 0.52 -0.25 -0.27 0.00 -0.15 0.00 0.00 55.06 54.90 2vsv s HIS -20 Cb -0.29 -1.42 -0.05 0.00 1.11 0.00 0.00 32.58 31.93 2vsv s HIS -20 CO 0.33 0.31 0.86 -1.58 -0.85 0.00 0.00 174.74 173.81 2vsv s HIS -19 N -1.02 3.73 -0.29 1.40 2.46 -1.26 -5.04 115.29 115.28 2vsv s HIS -19 Ca 0.16 1.60 -0.02 0.00 0.47 0.00 0.00 55.06 57.27 2vsv s HIS -19 Cb -0.11 -2.95 0.04 0.00 -0.13 0.00 0.00 32.58 29.44 2vsv s HIS -19 CO 0.07 0.18 -0.01 -1.01 -2.47 0.00 0.00 174.74 171.50 2vsv s HIS -18 N 0.24 3.21 -0.74 3.88 4.02 -1.26 -5.07 115.29 119.57 2vsv s HIS -18 Ca 0.43 -1.75 -0.27 0.00 1.02 0.00 0.00 55.06 54.50 2vsv s HIS -18 Cb -0.21 -2.10 0.03 0.00 -1.02 0.00 0.00 32.58 29.28 2vsv s HIS -18 CO 0.26 -0.77 1.31 -1.58 1.02 0.00 0.00 174.74 174.97 2vsv s HIS -17 N 1.28 2.25 0.14 1.40 5.65 -1.26 -4.91 115.29 119.85 2vsv s HIS -17 Ca -0.04 -0.01 -0.25 0.00 0.25 0.00 0.00 55.06 55.01 2vsv s HIS -17 Cb -0.19 -4.60 0.07 0.00 -1.18 0.00 0.00 32.58 26.68 2vsv s HIS -17 CO -0.02 -2.09 1.01 -3.38 -0.65 0.00 0.00 174.74 169.61 2vsv s HIS -16 N 5.90 -0.07 0.90 3.88 -0.00 -1.26 -5.17 115.29 119.47 2vsv s HIS -16 Ca 0.37 -0.24 -0.12 0.00 -0.00 0.00 0.00 55.06 55.07 2vsv s HIS -16 Cb -0.08 0.65 0.08 0.00 -0.00 0.00 0.00 32.58 33.22 2vsv s HIS -16 CO 0.15 -0.80 0.79 -1.13 -0.00 0.00 0.00 174.74 173.76 2vsv n SER -15 N -0.65 -0.72 -4.66 7.38 3.41 -1.26 -4.83 113.62 112.30 2vsv n SER -15 Ca -0.06 0.42 -0.42 0.00 -0.26 0.00 0.00 58.87 58.55 2vsv n SER -15 Cb 0.61 -1.35 -0.03 0.00 -0.26 0.00 0.00 64.21 63.18 2vsv n SER -15 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2vsv s SER -14 N -2.21 6.69 0.44 4.04 0.15 -1.26 -4.85 113.70 116.70 2vsv s SER -14 Ca 0.63 2.06 0.14 0.00 0.70 0.00 0.00 55.95 59.48 2vsv s SER -14 Cb -0.24 -2.53 0.99 0.00 -1.71 0.00 0.00 66.02 62.52 2vsv s SER -14 CO 0.61 -0.93 1.99 1.23 1.20 0.00 0.00 173.24 177.34 2vsv h GLY -13 N 10.30 0.01 0.95 9.45 0.00 -1.99 -1.67 103.07 120.12 2vsv h GLY -13 Ca -0.36 -0.01 -0.14 0.00 0.00 0.00 0.00 47.33 46.82 2vsv h GLY -13 CO 0.96 0.01 -0.44 -2.08 0.00 0.00 0.00 176.54 174.99 2vsv h VAL -12 N 0.01 1.33 -0.02 4.60 2.07 -1.98 0.19 116.25 122.44 2vsv h VAL -12 Ca 0.00 -1.68 0.03 0.00 0.82 0.00 0.00 66.70 65.87 2vsv h VAL -12 Cb 0.33 1.91 -0.04 0.00 -1.52 0.00 0.00 31.29 31.97 2vsv h VAL -12 CO 0.02 0.52 -0.16 0.44 0.02 0.00 0.00 177.57 178.41 2vsv h ASP -11 N 0.31 -0.49 -0.03 0.57 3.32 -1.85 -0.88 116.42 117.38 2vsv h ASP -11 Ca -0.00 0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.12 2vsv h ASP -11 Cb 1.05 0.21 -0.00 0.00 0.22 0.00 0.00 39.33 40.81 2vsv h ASP -11 CO 0.10 -0.22 0.01 -0.07 -1.72 0.00 0.00 179.24 177.33 2vsv h LEU -10 N -0.26 0.04 -1.20 1.55 3.38 -1.25 -1.62 115.31 115.94 2vsv h LEU -10 Ca 0.06 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 2vsv h LEU -10 Cb 0.34 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 2vsv h LEU -10 CO -0.17 0.24 0.40 1.23 0.09 0.00 0.00 178.44 180.23 2vsv h GLY -9 N -0.16 1.02 2.00 0.83 0.00 -0.89 0.50 103.07 106.37 2vsv h GLY -9 Ca 0.01 -0.43 -0.16 0.00 0.00 0.00 0.00 47.33 46.76 2vsv h GLY -9 CO -0.00 0.41 -0.74 -0.91 0.00 0.00 0.00 176.54 175.30 2vsv h THR -8 N 0.96 1.38 -0.41 4.70 1.35 -0.99 -2.09 112.91 117.81 2vsv h THR -8 Ca 0.25 -2.67 -0.06 0.00 -0.55 0.00 0.00 66.41 63.37 2vsv h THR -8 Cb -0.01 2.50 -0.01 0.00 -1.73 0.00 0.00 68.15 68.90 2vsv h THR -8 CO -0.04 0.73 0.01 -0.08 -0.25 0.00 0.00 175.52 175.88 2vsv h GLU -7 N 0.00 0.72 -0.90 4.72 4.81 -0.65 -2.06 114.58 121.21 2vsv h GLU -7 Ca -0.01 -0.22 0.04 0.00 -0.13 0.00 0.00 59.36 59.04 2vsv h GLU -7 Cb 1.44 -0.07 -0.06 0.00 0.63 0.00 0.00 28.75 30.70 2vsv h GLU -7 CO 0.10 0.80 0.58 -0.91 -0.73 0.00 0.00 179.01 178.84 2vsv h ASN -6 N 0.55 0.96 -0.46 1.04 2.35 -0.75 -1.45 115.58 117.82 2vsv h ASN -6 Ca 0.12 -0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.80 2vsv h ASN -6 Cb 0.47 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.61 2vsv h ASN -6 CO 0.02 0.65 0.04 0.25 -1.65 0.00 0.00 177.43 176.74 2vsv h LEU -5 N 1.12 0.76 0.02 1.61 5.85 -1.19 -0.97 115.31 122.51 2vsv h LEU -5 Ca 0.37 -0.28 0.03 0.00 0.84 0.00 0.00 57.88 58.83 2vsv h LEU -5 Cb 0.04 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 40.83 2vsv h LEU -5 CO -0.13 0.85 -0.21 0.22 -0.34 0.00 0.00 178.44 178.83 2vsv h TYR -4 N 0.64 -0.55 -0.57 1.25 3.20 -0.91 -0.39 116.97 119.64 2vsv h TYR -4 Ca 0.14 0.02 0.11 0.00 3.14 0.00 0.00 58.73 62.14 2vsv h TYR -4 Cb 0.43 0.24 -0.09 0.00 1.54 0.00 0.00 36.73 38.85 2vsv h TYR -4 CO 0.03 -0.29 0.03 0.74 -1.64 0.00 0.00 178.16 177.02 2vsv h PHE -3 N -0.34 0.01 0.00 -3.82 0.04 -0.77 0.67 116.94 112.72 2vsv h PHE -3 Ca 0.05 0.04 -0.01 0.00 2.80 0.00 0.00 57.97 60.86 2vsv h PHE -3 Cb 0.41 0.08 -0.00 0.00 2.20 0.00 0.00 35.95 38.64 2vsv h PHE -3 CO -0.24 -0.12 -0.02 1.96 -0.60 0.00 0.00 178.31 179.28 2vsv h GLN -2 N 0.14 0.00 0.00 1.51 1.08 -0.98 -3.31 115.11 113.56 2vsv h GLN -2 Ca 0.29 0.00 -0.20 0.00 -1.45 0.00 0.00 58.65 57.29 2vsv h GLN -2 Cb 0.46 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.85 2vsv h GLN -2 CO -0.46 0.02 -2.17 0.43 -0.95 0.00 0.00 178.83 175.71 2vsv n SER -1 N -3.11 0.23 -4.73 1.46 7.64 -0.17 -0.98 113.62 113.94 2vsv n SER -1 Ca 0.02 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.50 2vsv n SER -1 Cb 0.43 1.40 -0.05 0.00 -1.01 0.00 0.00 64.21 64.98 2vsv n SER -1 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 2vsv s MET 0 N -2.89 4.50 0.07 1.43 -1.94 0.15 -4.87 119.30 115.74 2vsv s MET 0 Ca -0.09 1.08 -0.36 0.00 -1.71 0.00 0.00 55.69 54.62 2vsv s MET 0 Cb 0.09 -3.40 -0.15 0.00 2.01 0.00 0.00 34.83 33.38 2vsv s MET 0 CO 0.83 0.17 1.52 -2.30 -0.01 0.00 0.00 175.02 175.23 2vsv n PRO 514 N 3.22 1.65 -4.87 2.03 -0.02 -1.26 -4.78 135.00 130.97 2vsv n PRO 514 Ca -0.01 0.60 -0.30 0.00 -2.02 0.00 0.00 63.50 61.77 2vsv n PRO 514 Cb 0.51 -2.31 -0.15 0.00 -0.02 0.00 0.00 33.50 31.53 2vsv n PRO 514 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 2vsv s ARG 515 N 1.27 1.75 -0.14 -0.52 1.70 -0.15 -4.91 118.95 117.95 2vsv s ARG 515 Ca 0.84 -1.11 -0.26 0.00 -0.47 0.00 0.00 55.73 54.74 2vsv s ARG 515 Cb -0.83 -1.94 -0.02 0.00 -0.57 0.00 0.00 34.95 31.60 2vsv s ARG 515 CO 0.45 0.50 0.84 0.45 -1.08 0.00 0.00 175.30 176.46 2vsv s SER 516 N -1.27 7.01 -0.24 -2.89 0.15 -1.26 -1.36 113.70 113.84 2vsv s SER 516 Ca 0.11 1.23 -0.01 0.00 0.70 0.00 0.00 55.95 57.99 2vsv s SER 516 Cb -0.10 -2.46 0.03 0.00 -1.71 0.00 0.00 66.02 61.78 2vsv s SER 516 CO 0.02 -0.36 -0.09 -0.63 1.20 0.00 0.00 173.24 173.39 2vsv s ILE 517 N 1.90 2.65 -0.20 6.45 -1.09 0.14 -5.00 121.20 126.04 2vsv s ILE 517 Ca 0.40 -1.12 -0.05 0.00 -2.23 0.00 0.00 60.65 57.65 2vsv s ILE 517 Cb -0.17 -2.35 -0.03 0.00 -1.58 0.00 0.00 42.46 38.33 2vsv s ILE 517 CO 0.14 0.21 0.01 -0.13 -1.23 0.00 0.00 174.94 173.94 2vsv s ARG 518 N 1.28 3.66 0.31 2.79 0.52 -1.26 -1.44 118.95 124.81 2vsv s ARG 518 Ca -0.01 -0.50 -0.18 0.00 -0.52 0.00 0.00 55.73 54.52 2vsv s ARG 518 Cb -0.17 -3.09 0.03 0.00 0.52 0.00 0.00 34.95 32.24 2vsv s ARG 518 CO -0.06 0.05 0.72 -0.59 0.02 0.00 0.00 175.30 175.44 2vsv s PHE 519 N 0.91 -0.03 0.03 -0.53 -0.12 0.18 -4.82 117.98 113.60 2vsv s PHE 519 Ca 0.01 -0.48 0.03 0.00 -0.05 0.00 0.00 56.93 56.44 2vsv s PHE 519 Cb -0.14 0.69 -0.02 0.00 -0.63 0.00 0.00 43.02 42.92 2vsv s PHE 519 CO 0.02 -1.32 -0.09 0.95 -0.05 0.00 0.00 175.22 174.73 2vsv s THR 520 N -3.44 0.68 -0.97 -4.49 -4.23 -1.26 -0.13 115.64 101.80 2vsv s THR 520 Ca 0.14 -0.83 -0.14 0.00 -1.18 0.00 0.00 61.69 59.68 2vsv s THR 520 Cb -0.05 -0.66 0.21 0.00 1.34 0.00 0.00 72.50 73.34 2vsv s THR 520 CO 0.09 -0.13 1.02 0.00 -0.54 0.00 0.00 174.62 175.06 2vsv s ALA 521 N -0.88 4.09 -0.16 3.99 0.00 -1.26 -4.53 121.76 123.01 2vsv s ALA 521 Ca -0.03 -3.35 -0.36 0.00 0.00 0.00 0.00 51.96 48.22 2vsv s ALA 521 Cb -0.07 -3.73 -0.13 0.00 0.00 0.00 0.00 23.12 19.19 2vsv s ALA 521 CO 0.01 -2.48 1.84 0.39 0.00 0.00 0.00 175.76 175.52 2vsv n GLU 522 N 4.42 1.83 -1.85 0.00 4.71 -1.22 -0.48 120.64 128.05 2vsv n GLU 522 Ca 0.22 0.67 -0.15 0.00 -0.01 0.00 0.00 57.16 57.89 2vsv n GLU 522 Cb 0.45 -2.46 -0.04 0.00 -1.01 0.00 0.00 31.44 28.38 2vsv n GLU 522 CO 0.00 0.00 0.00 -0.85 0.09 0.00 0.00 177.13 176.37 2vsv n GLU 523 N 6.24 -1.12 -0.79 3.49 -0.00 -1.26 -2.44 120.64 124.75 2vsv n GLU 523 Ca 0.24 0.88 0.00 0.00 -0.00 0.00 0.00 57.16 58.28 2vsv n GLU 523 Cb 0.24 -5.12 0.00 0.00 -0.00 0.00 0.00 31.44 26.56 2vsv n GLU 523 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2vsv n GLY 524 N -1.07 0.91 3.59 -1.84 0.00 0.37 -4.99 105.19 102.16 2vsv n GLY 524 Ca -0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 2vsv n GLY 524 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2vsv s ASP 525 N -2.84 6.57 0.19 1.61 2.15 -1.02 -4.92 116.67 118.41 2vsv s ASP 525 Ca 0.00 0.33 0.05 0.00 0.43 0.00 0.00 52.55 53.36 2vsv s ASP 525 Cb 0.00 -2.53 0.06 0.00 -0.30 0.00 0.00 42.92 40.15 2vsv s ASP 525 CO 0.00 -1.27 1.43 0.25 -0.17 0.00 0.00 175.17 175.41 2vsv h LEU 526 N 11.25 0.14 0.00 -1.34 5.85 -1.87 -3.24 115.31 126.10 2vsv h LEU 526 Ca -0.24 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.37 2vsv h LEU 526 Cb 1.06 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.05 2vsv h LEU 526 CO 1.12 0.90 0.00 0.61 -0.34 0.00 0.00 178.44 180.73 2vsv n GLY 527 N 0.77 0.82 3.11 3.75 0.00 -1.26 -4.75 105.19 107.63 2vsv n GLY 527 Ca -0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.90 2vsv n GLY 527 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2vsv s PHE 528 N -3.24 0.20 0.43 1.61 -0.12 -1.26 -0.61 117.98 115.00 2vsv s PHE 528 Ca 0.00 -0.50 0.06 0.00 -0.05 0.00 0.00 56.93 56.44 2vsv s PHE 528 Cb 0.00 -0.15 0.01 0.00 -0.63 0.00 0.00 43.02 42.25 2vsv s PHE 528 CO 0.00 -0.35 0.59 0.95 -0.05 0.00 0.00 175.22 176.36 2vsv s THR 529 N -2.51 3.23 0.17 -4.49 -4.23 -0.19 -4.97 115.64 102.65 2vsv s THR 529 Ca -0.06 -0.90 0.07 0.00 -1.18 0.00 0.00 61.69 59.62 2vsv s THR 529 Cb -0.02 -3.12 -0.04 0.00 1.34 0.00 0.00 72.50 70.66 2vsv s THR 529 CO -0.04 -0.05 -0.15 -0.76 -0.54 0.00 0.00 174.62 173.08 2vsv s LEU 530 N -4.41 2.49 -0.09 4.79 1.43 -1.26 -0.75 118.68 120.89 2vsv s LEU 530 Ca 0.53 -0.93 -0.18 0.00 -1.03 0.00 0.00 54.13 52.52 2vsv s LEU 530 Cb -0.10 -0.64 0.04 0.00 0.03 0.00 0.00 46.19 45.52 2vsv s LEU 530 CO 0.34 -0.15 0.44 -0.60 0.23 0.00 0.00 176.35 176.60 2vsv s ARG 531 N -3.23 0.67 0.19 1.70 3.52 0.08 -4.81 118.95 117.08 2vsv s ARG 531 Ca 0.17 0.26 0.00 0.00 -0.13 0.00 0.00 55.73 56.02 2vsv s ARG 531 Cb -0.02 0.31 0.00 0.00 -1.56 0.00 0.00 34.95 33.68 2vsv s ARG 531 CO 0.05 -0.15 0.00 0.41 -0.81 0.00 0.00 175.30 174.80 2vsv n GLY 532 N 1.91 -2.14 2.98 8.12 0.00 -1.26 -0.77 105.19 114.03 2vsv n GLY 532 Ca -0.17 -1.43 -0.16 0.00 0.00 0.00 0.00 46.02 44.26 2vsv n GLY 532 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2vsv s ASN 533 N -3.45 0.69 -0.90 1.61 0.01 -1.26 -3.62 114.94 108.01 2vsv s ASN 533 Ca 0.00 -0.15 -0.07 0.00 -0.71 0.00 0.00 52.86 51.93 2vsv s ASN 533 Cb 0.00 -0.06 -0.01 0.00 0.41 0.00 0.00 41.25 41.59 2vsv s ASN 533 CO 0.00 0.04 0.71 0.00 -1.51 0.00 0.00 177.10 176.35 2vsv n ALA 534 N 2.79 -2.60 -2.22 0.60 0.00 -0.24 -4.47 120.51 114.37 2vsv n ALA 534 Ca -0.14 -0.14 -0.25 0.00 0.00 0.00 0.00 53.44 52.91 2vsv n ALA 534 Cb 0.58 -2.31 0.02 0.00 0.00 0.00 0.00 19.45 17.73 2vsv n ALA 534 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2vsv s PRO 535 N -4.52 3.08 0.31 0.00 0.04 -1.11 -4.84 135.00 127.97 2vsv s PRO 535 Ca 0.17 -0.17 -0.22 0.00 0.04 0.00 0.00 61.00 60.82 2vsv s PRO 535 Cb -0.05 -2.41 -0.09 0.00 0.04 0.00 0.00 34.50 31.98 2vsv s PRO 535 CO 0.82 -0.44 0.85 0.08 0.04 0.00 0.00 177.00 178.36 2vsv s VAL 536 N -2.77 4.42 -0.06 -0.36 1.01 -1.26 -4.86 120.40 116.52 2vsv s VAL 536 Ca 0.50 1.48 0.02 0.00 0.00 0.00 0.00 61.98 63.99 2vsv s VAL 536 Cb -0.10 -3.83 -0.03 0.00 0.00 0.00 0.00 36.38 32.42 2vsv s VAL 536 CO 0.42 0.03 -0.11 -1.58 0.00 0.00 0.00 175.10 173.86 2vsv s GLN 537 N -2.36 2.63 0.13 2.72 0.74 0.05 -1.02 119.66 122.54 2vsv s GLN 537 Ca 0.51 -0.63 -0.31 0.00 0.05 0.00 0.00 55.36 54.97 2vsv s GLN 537 Cb -0.15 -2.47 -0.09 0.00 1.10 0.00 0.00 33.01 31.39 2vsv s GLN 537 CO 0.20 0.63 1.60 0.08 -0.55 0.00 0.00 175.29 177.25 2vsv s VAL 538 N -0.73 2.78 0.00 1.34 1.01 0.24 -0.74 120.40 124.30 2vsv s VAL 538 Ca 0.11 0.46 0.00 0.00 0.00 0.00 0.00 61.98 62.56 2vsv s VAL 538 Cb -0.11 -3.30 0.00 0.00 0.00 0.00 0.00 36.38 32.97 2vsv s VAL 538 CO 0.01 0.02 0.00 1.57 0.00 0.00 0.00 175.10 176.70 2vsv n HIS 539 N 4.57 0.00 -1.91 5.22 -0.00 0.07 -0.02 115.22 123.16 2vsv n HIS 539 Ca 0.15 0.00 -0.41 0.00 0.46 0.00 0.00 57.72 57.92 2vsv n HIS 539 Cb 0.39 0.00 -0.01 0.00 -0.12 0.00 0.00 29.99 30.25 2vsv n HIS 539 CO 0.00 0.00 0.00 0.12 0.46 0.00 0.00 176.34 176.92 2vsv s PHE 540 N 0.84 2.80 -0.08 1.57 5.36 -1.26 -4.45 117.98 122.75 2vsv s PHE 540 Ca 0.00 1.14 -0.03 0.00 -0.96 0.00 0.00 56.93 57.08 2vsv s PHE 540 Cb 0.00 -3.92 0.05 0.00 -0.34 0.00 0.00 43.02 38.81 2vsv s PHE 540 CO 0.00 -2.77 0.15 -1.17 -1.46 0.00 0.00 175.22 169.97 2vsv s LEU 541 N -1.47 -0.06 -0.10 6.12 2.96 -1.26 -1.03 118.68 123.85 2vsv s LEU 541 Ca 0.55 0.29 -0.30 0.00 -0.22 0.00 0.00 54.13 54.45 2vsv s LEU 541 Cb -0.44 0.24 -0.03 0.00 0.50 0.00 0.00 46.19 46.45 2vsv s LEU 541 CO 0.55 -0.25 1.40 -0.62 -1.32 0.00 0.00 176.35 176.11 2vsv s ASP 542 N 2.28 6.86 0.42 3.68 -1.08 0.23 -4.89 116.67 124.16 2vsv s ASP 542 Ca 0.03 1.93 0.30 0.00 -0.52 0.00 0.00 52.55 54.29 2vsv s ASP 542 Cb -0.12 -2.54 1.32 0.00 -1.46 0.00 0.00 42.92 40.12 2vsv s ASP 542 CO -0.06 -0.79 1.89 1.55 0.52 0.00 0.00 175.17 178.28 2vsv h PRO 543 N 8.48 0.00 0.00 4.34 0.13 -1.99 -2.25 132.00 140.70 2vsv h PRO 543 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 2vsv h PRO 543 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 2vsv h PRO 543 CO 0.95 0.00 -0.32 0.66 -0.23 0.00 0.00 178.00 179.06 2vsv n TYR 544 N -2.65 0.52 -1.41 1.56 4.01 -1.26 -4.47 117.16 113.46 2vsv n TYR 544 Ca 0.00 0.15 -0.31 0.00 -0.16 0.00 0.00 57.90 57.59 2vsv n TYR 544 Cb 0.21 -0.67 0.08 0.00 -0.31 0.00 0.00 39.34 38.65 2vsv n TYR 544 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2vsv h SER 546 N -0.97 0.54 -0.86 0.00 4.64 -1.89 -1.25 113.55 113.77 2vsv h SER 546 Ca -0.44 -0.13 0.01 0.00 -0.47 0.00 0.00 61.79 60.76 2vsv h SER 546 Cb 1.23 -0.14 -0.04 0.00 -0.31 0.00 0.00 62.40 63.13 2vsv h SER 546 CO 0.54 0.66 0.57 0.00 -0.87 0.00 0.00 176.83 177.73 2vsv h ALA 547 N 1.40 1.10 -0.05 5.18 0.00 -1.85 0.41 119.26 125.44 2vsv h ALA 547 Ca 0.10 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2vsv h ALA 547 Cb 0.45 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 2vsv h ALA 547 CO 0.02 0.48 -0.00 1.03 0.00 0.00 0.00 179.25 180.78 2vsv h SER 548 N 1.15 0.10 -0.58 0.00 0.87 -1.66 -1.56 113.55 111.87 2vsv h SER 548 Ca 0.32 -0.33 0.10 0.00 -1.23 0.00 0.00 61.79 60.64 2vsv h SER 548 Cb -0.11 -0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 61.79 2vsv h SER 548 CO -0.08 0.41 0.39 0.58 -0.53 0.00 0.00 176.83 177.60 2vsv h VAL 549 N -0.22 0.89 0.00 2.23 2.07 -0.96 0.20 116.25 120.46 2vsv h VAL 549 Ca 0.01 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.41 2vsv h VAL 549 Cb 0.36 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 2vsv h VAL 549 CO 0.00 0.07 0.00 0.00 0.02 0.00 0.00 177.57 177.66 2vsv n ALA 550 N -2.53 2.06 0.00 1.67 0.00 0.11 -4.90 120.51 116.93 2vsv n ALA 550 Ca 0.09 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2vsv n ALA 550 Cb 0.38 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.44 2vsv n ALA 550 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2vsv n GLY 551 N 0.89 1.04 3.68 0.00 0.00 0.71 -4.87 105.19 106.64 2vsv n GLY 551 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 2vsv n GLY 551 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vsv n ALA 552 N -1.10 0.94 -2.45 4.61 0.00 -0.63 -5.01 120.51 116.87 2vsv n ALA 552 Ca 0.00 0.10 -0.12 0.00 0.00 0.00 0.00 53.44 53.42 2vsv n ALA 552 Cb 0.00 -2.24 -0.11 0.00 0.00 0.00 0.00 19.45 17.10 2vsv n ALA 552 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2vsv s ARG 553 N -2.74 0.75 0.23 0.00 1.81 -1.26 -4.57 118.95 113.17 2vsv s ARG 553 Ca 0.72 -1.12 -0.31 0.00 -1.72 0.00 0.00 55.73 53.30 2vsv s ARG 553 Cb -0.44 -0.31 -0.14 0.00 -0.45 0.00 0.00 34.95 33.62 2vsv s ARG 553 CO 0.49 0.03 1.28 0.39 -0.68 0.00 0.00 175.30 176.81 2vsv n GLU 554 N 0.54 1.71 0.00 3.54 4.71 -1.26 -1.49 120.64 128.39 2vsv n GLU 554 Ca -0.16 0.61 0.00 0.00 -0.01 0.00 0.00 57.16 57.60 2vsv n GLU 554 Cb 0.58 -2.18 0.00 0.00 -1.01 0.00 0.00 31.44 28.83 2vsv n GLU 554 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2vsv n GLY 555 N 1.92 2.60 3.70 0.62 0.00 0.97 -5.00 105.19 110.01 2vsv n GLY 555 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 2vsv n GLY 555 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2vsv n ASP 556 N 0.00 2.67 -4.80 1.61 8.00 -0.55 -4.67 116.55 118.81 2vsv n ASP 556 Ca 0.00 1.15 -0.36 0.00 0.71 0.00 0.00 54.79 56.29 2vsv n ASP 556 Cb 0.00 -1.50 -0.07 0.00 -0.02 0.00 0.00 41.12 39.53 2vsv n ASP 556 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2vsv s TYR 557 N -1.16 3.52 -0.27 1.24 2.02 0.54 -0.59 117.35 122.64 2vsv s TYR 557 Ca 0.58 0.51 -0.21 0.00 -0.37 0.00 0.00 57.07 57.58 2vsv s TYR 557 Cb -0.53 -2.12 -0.01 0.00 -0.40 0.00 0.00 41.96 38.90 2vsv s TYR 557 CO 0.60 0.49 0.68 0.42 -1.57 0.00 0.00 175.55 176.17 2vsv s ILE 558 N -0.30 4.92 -0.06 2.71 1.01 -0.19 -1.03 121.20 128.27 2vsv s ILE 558 Ca 0.14 1.14 0.13 0.00 0.00 0.00 0.00 60.65 62.05 2vsv s ILE 558 Cb -0.12 -4.01 -0.19 0.00 0.01 0.00 0.00 42.46 38.15 2vsv s ILE 558 CO 0.03 -0.07 0.20 1.33 0.00 0.00 0.00 174.94 176.43 2vsv n VAL 559 N 5.31 0.33 -3.59 2.92 0.24 0.44 -4.36 118.33 119.61 2vsv n VAL 559 Ca 0.01 -0.40 -0.15 0.00 -2.04 0.00 0.00 64.34 61.76 2vsv n VAL 559 Cb 0.49 -0.14 -0.06 0.00 -1.47 0.00 0.00 33.84 32.66 2vsv n VAL 559 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2vsv s SER 560 N -3.95 -0.45 -0.20 -1.34 1.04 -1.15 -0.72 113.70 106.92 2vsv s SER 560 Ca -0.05 0.29 0.01 0.00 0.48 0.00 0.00 55.95 56.68 2vsv s SER 560 Cb 0.07 0.47 0.04 0.00 0.10 0.00 0.00 66.02 66.70 2vsv s SER 560 CO 0.55 -0.65 -0.12 -0.63 0.98 0.00 0.00 173.24 173.38 2vsv s ILE 561 N -1.96 1.70 0.00 -1.02 1.01 -0.52 -0.33 121.20 120.08 2vsv s ILE 561 Ca -0.08 -1.00 0.00 0.00 0.00 0.00 0.00 60.65 59.57 2vsv s ILE 561 Cb -0.01 -1.74 0.00 0.00 0.01 0.00 0.00 42.46 40.72 2vsv s ILE 561 CO 0.02 0.22 0.00 0.00 0.00 0.00 0.00 174.94 175.18 2vsv n GLN 562 N 4.67 0.00 -0.85 2.79 6.02 0.06 -0.67 117.38 129.41 2vsv n GLN 562 Ca -0.15 0.00 0.06 0.00 -0.01 0.00 0.00 57.00 56.90 2vsv n GLN 562 Cb 0.47 0.00 0.38 0.00 1.02 0.00 0.00 30.24 32.11 2vsv n GLN 562 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2vsv n LEU 563 N 0.00 5.51 -4.67 1.08 4.77 -1.26 -4.87 117.00 117.55 2vsv n LEU 563 Ca 0.00 -2.98 -0.38 0.00 -0.03 0.00 0.00 56.01 52.62 2vsv n LEU 563 Cb 0.00 -0.67 -0.07 0.00 -2.33 0.00 0.00 43.42 40.34 2vsv n LEU 563 CO 0.00 0.65 0.09 -0.69 -1.33 0.00 0.00 177.39 176.11 2vsv s VAL 564 N -2.81 5.21 0.05 4.08 1.01 0.16 -5.05 120.40 123.05 2vsv s VAL 564 Ca 0.53 0.69 -0.31 0.00 0.00 0.00 0.00 61.98 62.90 2vsv s VAL 564 Cb 0.41 -3.72 -0.05 0.00 0.00 0.00 0.00 36.38 33.02 2vsv s VAL 564 CO 0.15 0.26 1.17 -0.62 0.00 0.00 0.00 175.10 176.06 2vsv s ASP 565 N 1.00 7.12 0.00 3.32 2.15 -1.26 -1.44 116.67 127.56 2vsv s ASP 565 Ca 0.19 1.97 0.13 0.00 0.43 0.00 0.00 52.55 55.26 2vsv s ASP 565 Cb -0.15 -2.58 0.08 0.00 -0.30 0.00 0.00 42.92 39.97 2vsv s ASP 565 CO 0.08 -0.44 0.85 0.00 -0.17 0.00 0.00 175.17 175.49 2vsv h LYS 567 N 2.22 0.59 -0.52 0.00 1.57 -1.75 -2.36 116.57 116.32 2vsv h LYS 567 Ca 0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2vsv h LYS 567 Cb 0.50 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.68 2vsv h LYS 567 CO 0.00 0.39 0.00 0.91 -0.57 0.00 0.00 179.45 180.18 2vsv n TRP 568 N -4.47 0.83 -3.33 -1.35 7.02 -1.26 -2.76 117.44 112.12 2vsv n TRP 568 Ca 0.05 -0.54 -0.33 0.00 -1.02 0.00 0.00 57.50 55.65 2vsv n TRP 568 Cb 0.10 -0.07 -0.06 0.00 -2.42 0.00 0.00 31.31 28.86 2vsv n TRP 568 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 2vsv s LEU 569 N -1.26 4.20 0.80 -0.99 1.43 -0.89 -4.72 118.68 117.26 2vsv s LEU 569 Ca 0.38 1.06 -0.12 0.00 -1.03 0.00 0.00 54.13 54.42 2vsv s LEU 569 Cb 0.21 -3.64 0.07 0.00 0.03 0.00 0.00 46.19 42.86 2vsv s LEU 569 CO 0.23 -0.04 1.10 0.42 0.23 0.00 0.00 176.35 178.28 2vsv s THR 570 N -1.74 2.98 0.22 5.49 -4.23 -1.26 -1.07 115.64 116.03 2vsv s THR 570 Ca 0.46 0.32 -0.09 0.00 -1.18 0.00 0.00 61.69 61.20 2vsv s THR 570 Cb -0.12 -3.07 0.18 0.00 1.34 0.00 0.00 72.50 70.82 2vsv s THR 570 CO 0.20 -0.42 1.70 0.25 -0.54 0.00 0.00 174.62 175.81 2vsv h LEU 571 N -1.11 0.02 -0.51 4.79 5.85 -1.94 -0.37 115.31 122.04 2vsv h LEU 571 Ca -0.47 0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.36 2vsv h LEU 571 Cb 1.27 0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.44 2vsv h LEU 571 CO 0.60 0.01 0.29 -1.28 -0.34 0.00 0.00 178.44 177.71 2vsv h SER 572 N 0.27 0.63 -0.56 1.25 0.87 -1.93 -1.17 113.55 112.90 2vsv h SER 572 Ca 0.34 -0.08 -0.03 0.00 -1.23 0.00 0.00 61.79 60.79 2vsv h SER 572 Cb 0.52 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.29 2vsv h SER 572 CO -0.42 0.52 0.22 -0.33 -0.53 0.00 0.00 176.83 176.29 2vsv h GLU 573 N 0.68 0.84 -0.45 2.24 5.08 -1.77 -1.24 114.58 119.96 2vsv h GLU 573 Ca 0.18 -0.15 -0.06 0.00 -1.00 0.00 0.00 59.36 58.33 2vsv h GLU 573 Cb 0.03 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 2vsv h GLU 573 CO -0.03 0.73 0.06 0.28 -1.00 0.00 0.00 179.01 179.05 2vsv h VAL 574 N 0.77 1.25 -0.51 3.13 2.07 -0.91 -0.80 116.25 121.25 2vsv h VAL 574 Ca 0.19 -0.92 0.07 0.00 0.82 0.00 0.00 66.70 66.85 2vsv h VAL 574 Cb 0.21 0.97 -0.06 0.00 -1.52 0.00 0.00 31.29 30.89 2vsv h VAL 574 CO -0.01 0.32 0.20 0.24 0.02 0.00 0.00 177.57 178.34 2vsv h MET 575 N 0.62 0.38 -0.63 1.57 2.86 -1.07 -1.21 114.93 117.44 2vsv h MET 575 Ca 0.14 -0.02 -0.05 0.00 -2.06 0.00 0.00 59.70 57.70 2vsv h MET 575 Cb 0.40 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.95 2vsv h MET 575 CO 0.01 0.25 0.20 0.87 1.06 0.00 0.00 176.91 179.30 2vsv h LYS 576 N 0.39 0.98 -0.15 1.72 1.57 -0.89 0.10 116.57 120.29 2vsv h LYS 576 Ca 0.24 -0.21 0.04 0.00 -1.87 0.00 0.00 60.65 58.86 2vsv h LYS 576 Cb 0.25 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.37 2vsv h LYS 576 CO -0.23 0.86 -0.11 -0.07 -0.57 0.00 0.00 179.45 179.32 2vsv h LEU 577 N 0.90 -0.36 -0.96 2.94 3.38 -0.89 -2.21 115.31 118.11 2vsv h LEU 577 Ca 0.20 0.08 -0.08 0.00 0.09 0.00 0.00 57.88 58.17 2vsv h LEU 577 Cb 0.29 0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 2vsv h LEU 577 CO -0.01 -0.15 -0.06 -0.07 0.09 0.00 0.00 178.44 178.25 2vsv h LEU 578 N -0.12 0.67 -1.36 1.67 3.38 -0.88 -2.69 115.31 115.97 2vsv h LEU 578 Ca 0.09 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 2vsv h LEU 578 Cb 0.26 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 2vsv h LEU 578 CO -0.22 0.77 0.20 0.50 0.09 0.00 0.00 178.44 179.78 2vsv h LYS 579 N 0.64 0.63 -0.03 1.13 3.64 -0.54 -2.59 116.57 119.46 2vsv h LYS 579 Ca 0.12 -0.08 0.01 0.00 -1.27 0.00 0.00 60.65 59.43 2vsv h LYS 579 Cb 0.48 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.18 2vsv h LYS 579 CO 0.03 0.51 0.15 0.66 -2.27 0.00 0.00 179.45 178.53 2vsv h SER 580 N 0.63 0.00 1.96 4.20 4.64 -1.05 -1.40 113.55 122.53 2vsv h SER 580 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 2vsv h SER 580 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 2vsv h SER 580 CO -0.02 0.00 -0.01 -0.26 -0.87 0.00 0.00 176.83 175.68 2vsv h PHE 581 N 0.00 0.00 0.00 4.77 0.04 -1.56 -3.49 116.94 116.70 2vsv h PHE 581 Ca 0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.78 2vsv h PHE 581 Cb 0.32 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.47 2vsv h PHE 581 CO 0.00 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.12 2vsv n GLY 582 N 1.11 3.38 1.07 -1.45 0.00 -0.53 -0.61 105.19 108.17 2vsv n GLY 582 Ca 0.04 -0.06 0.10 0.00 0.00 0.00 0.00 46.02 46.11 2vsv n GLY 582 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2vsv n GLU 583 N 14.00 2.36 -1.79 1.61 1.02 -1.26 -4.46 120.64 132.11 2vsv n GLU 583 Ca 0.00 -2.10 -0.30 0.00 -0.02 0.00 0.00 57.16 54.74 2vsv n GLU 583 Cb 0.00 -1.47 0.05 0.00 -0.02 0.00 0.00 31.44 30.00 2vsv n GLU 583 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2vsv s ASP 584 N -1.11 5.34 0.12 1.62 1.01 0.22 -4.73 116.67 119.14 2vsv s ASP 584 Ca 0.39 1.24 -0.33 0.00 0.71 0.00 0.00 52.55 54.56 2vsv s ASP 584 Cb 0.21 -2.06 -0.13 0.00 1.01 0.00 0.00 42.92 41.95 2vsv s ASP 584 CO 0.28 -1.42 1.71 1.21 0.21 0.00 0.00 175.17 177.15 2vsv n GLU 585 N -3.07 2.39 -4.38 8.23 2.13 -1.26 -4.64 120.64 120.03 2vsv n GLU 585 Ca 0.07 0.86 -0.34 0.00 0.66 0.00 0.00 57.16 58.41 2vsv n GLU 585 Cb 0.56 -2.69 -0.11 0.00 0.27 0.00 0.00 31.44 29.48 2vsv n GLU 585 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 2vsv s ILE 586 N 1.90 4.14 -0.16 6.31 1.01 0.82 -4.98 121.20 130.24 2vsv s ILE 586 Ca 0.81 -0.29 0.01 0.00 0.00 0.00 0.00 60.65 61.18 2vsv s ILE 586 Cb -0.61 -2.77 0.00 0.00 0.01 0.00 0.00 42.46 39.09 2vsv s ILE 586 CO 0.39 0.55 -0.17 -0.70 0.00 0.00 0.00 174.94 175.01 2vsv s GLU 587 N -0.32 3.15 0.14 2.79 -6.30 -1.26 -0.65 118.70 116.25 2vsv s GLU 587 Ca 0.06 -0.78 0.06 0.00 -2.50 0.00 0.00 54.97 51.81 2vsv s GLU 587 Cb -0.12 -2.58 -0.04 0.00 0.00 0.00 0.00 34.13 31.38 2vsv s GLU 587 CO 0.02 -0.02 -0.13 0.00 0.02 0.00 0.00 175.26 175.15 2vsv s MET 588 N 0.88 1.08 -0.11 4.30 0.23 -0.52 -0.76 119.30 124.40 2vsv s MET 588 Ca -0.05 -1.34 -0.02 0.00 -1.03 0.00 0.00 55.69 53.26 2vsv s MET 588 Cb -0.15 -0.88 -0.03 0.00 -1.53 0.00 0.00 34.83 32.24 2vsv s MET 588 CO -0.02 0.16 -0.05 0.15 -2.03 0.00 0.00 175.02 173.23 2vsv s LYS 589 N -3.04 3.23 0.16 3.16 1.02 0.55 0.24 119.74 125.06 2vsv s LYS 589 Ca 0.13 -0.52 0.08 0.00 0.02 0.00 0.00 55.97 55.68 2vsv s LYS 589 Cb -0.03 -2.77 -0.04 0.00 -0.52 0.00 0.00 37.83 34.47 2vsv s LYS 589 CO 0.03 0.46 -0.18 0.14 -0.92 0.00 0.00 175.35 174.89 2vsv s VAL 590 N -0.25 1.78 0.02 3.17 -7.23 -0.46 -0.42 120.40 117.00 2vsv s VAL 590 Ca 0.04 -1.92 0.06 0.00 -1.81 0.00 0.00 61.98 58.36 2vsv s VAL 590 Cb -0.13 -1.83 -0.02 0.00 0.56 0.00 0.00 36.38 34.96 2vsv s VAL 590 CO 0.02 -0.34 -0.18 0.68 -0.31 0.00 0.00 175.10 174.97 2vsv s VAL 591 N -2.10 1.47 -0.23 1.32 -7.23 -0.20 -0.97 120.40 112.46 2vsv s VAL 591 Ca 0.15 -1.01 0.20 0.00 -1.81 0.00 0.00 61.98 59.52 2vsv s VAL 591 Cb -0.05 -1.27 0.03 0.00 0.56 0.00 0.00 36.38 35.65 2vsv s VAL 591 CO 0.06 0.23 1.14 0.28 -0.31 0.00 0.00 175.10 176.50 2vsv h SER 592 N 5.17 0.00 -3.38 4.85 0.02 -1.46 0.15 113.55 118.90 2vsv h SER 592 Ca -0.40 0.00 -0.52 0.00 -0.84 0.00 0.00 61.79 60.03 2vsv h SER 592 Cb 1.16 0.00 -0.34 0.00 0.14 0.00 0.00 62.40 63.36 2vsv h SER 592 CO 0.45 0.23 -0.81 -0.76 -1.14 0.00 0.00 176.83 174.80 2vsv s LEU 593 N -5.77 1.59 0.00 5.07 1.43 -0.16 -4.79 118.68 116.05 2vsv s LEU 593 Ca 0.01 -0.30 0.25 0.00 -1.03 0.00 0.00 54.13 53.05 2vsv s LEU 593 Cb 0.08 -0.84 0.31 0.00 0.03 0.00 0.00 46.19 45.78 2vsv s LEU 593 CO 0.77 0.01 1.33 -0.11 0.23 0.00 0.00 176.35 178.58