#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2juw n ALA 2 N 0.00 0.00 -2.56 3.17 0.00 -1.26 -4.74 120.51 115.12 2juw n ALA 2 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.17 2juw n ALA 2 Cb 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.29 2juw n ALA 2 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 2juw s ILE 3 N 0.00 1.57 -1.34 0.00 -4.36 -1.26 -5.05 121.20 110.76 2juw s ILE 3 Ca 0.00 -0.83 -0.17 0.00 -0.26 0.00 0.00 60.65 59.39 2juw s ILE 3 Cb 0.00 -1.31 0.07 0.00 1.25 0.00 0.00 42.46 42.46 2juw s ILE 3 CO 0.00 0.45 1.86 1.67 0.24 0.00 0.00 174.94 179.15 2juw n GLN 4 N 2.73 3.13 0.00 0.37 -0.06 -1.26 -4.32 117.38 117.97 2juw n GLN 4 Ca -0.16 -3.14 0.00 0.00 -2.00 0.00 0.00 57.00 51.71 2juw n GLN 4 Cb 0.53 -3.41 0.00 0.00 -4.06 0.00 0.00 30.24 23.30 2juw n GLN 4 CO 0.00 0.00 0.00 0.43 -0.20 0.00 0.00 177.06 177.29 2juw n SER 5 N 7.58 0.00 0.00 1.69 7.64 -1.26 -5.05 113.62 124.22 2juw n SER 5 Ca 0.49 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.37 2juw n SER 5 Cb 0.44 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.64 2juw n SER 5 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 2juw n LYS 6 N -0.36 0.00 -3.78 1.43 2.85 -1.26 -5.13 118.16 111.91 2juw n LYS 6 Ca 0.00 0.00 -0.04 0.00 -1.05 0.00 0.00 58.31 57.22 2juw n LYS 6 Cb 0.00 0.00 -0.01 0.00 -0.65 0.00 0.00 35.03 34.37 2juw n LYS 6 CO 0.00 0.00 0.00 1.52 -0.05 0.00 0.00 177.40 178.87 2juw s TYR 7 N 0.00 -0.10 0.22 5.58 -0.85 -1.26 -5.07 117.35 115.88 2juw s TYR 7 Ca 0.00 -0.25 -0.04 0.00 -0.52 0.00 0.00 57.07 56.26 2juw s TYR 7 Cb 0.00 0.66 -0.03 0.00 0.38 0.00 0.00 41.96 42.98 2juw s TYR 7 CO 0.00 -0.91 0.25 0.45 -1.52 0.00 0.00 175.55 173.82 2juw s SER 8 N -3.01 0.16 0.27 -0.18 0.15 -1.26 -5.02 113.70 104.82 2juw s SER 8 Ca 0.13 -1.27 -0.03 0.00 0.70 0.00 0.00 55.95 55.48 2juw s SER 8 Cb -0.02 0.46 0.36 0.00 -1.71 0.00 0.00 66.02 65.11 2juw s SER 8 CO 0.04 -0.95 1.91 0.78 1.20 0.00 0.00 173.24 176.21 2juw h ASN 9 N 2.48 0.98 -0.19 5.45 2.35 -2.03 -0.20 115.58 124.41 2juw h ASN 9 Ca -0.32 -0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 55.35 2juw h ASN 9 Cb 1.25 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 39.36 2juw h ASN 9 CO 0.47 0.77 0.10 0.00 -1.65 0.00 0.00 177.43 177.12 2juw h THR 10 N 1.11 1.09 0.04 2.81 1.03 -1.98 0.29 112.91 117.30 2juw h THR 10 Ca 0.29 -0.26 -0.23 0.00 -0.01 0.00 0.00 66.41 66.20 2juw h THR 10 Cb -0.01 0.81 -0.00 0.00 -1.07 0.00 0.00 68.15 67.88 2juw h THR 10 CO -0.05 0.10 -1.01 -0.61 -0.01 0.00 0.00 175.52 173.94 2juw h GLN 11 N 0.31 0.28 -0.25 0.00 5.75 -1.49 -1.95 115.11 117.76 2juw h GLN 11 Ca 0.08 -0.35 -0.10 0.00 -0.15 0.00 0.00 58.65 58.13 2juw h GLN 11 Cb 0.05 0.11 -0.00 0.00 1.07 0.00 0.00 27.48 28.71 2juw h GLN 11 CO -0.01 1.09 -0.23 0.28 -2.65 0.00 0.00 178.83 177.30 2juw h VAL 12 N 0.13 1.31 -0.00 2.39 2.07 -0.52 -2.36 116.25 119.27 2juw h VAL 12 Ca -0.08 -1.39 0.01 0.00 0.82 0.00 0.00 66.70 66.05 2juw h VAL 12 Cb 1.68 1.66 -0.01 0.00 -1.52 0.00 0.00 31.29 33.10 2juw h VAL 12 CO 0.16 0.44 -0.03 -0.08 0.02 0.00 0.00 177.57 178.07 2juw h GLU 13 N 0.30 -0.06 -0.11 1.57 4.57 -0.43 0.20 114.58 120.63 2juw h GLU 13 Ca 0.04 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.18 2juw h GLU 13 Cb 0.79 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.38 2juw h GLU 13 CO 0.06 -0.04 -0.12 0.66 -1.18 0.00 0.00 179.01 178.39 2juw h SER 14 N -0.06 0.16 -0.04 1.04 4.64 -1.40 0.13 113.55 118.02 2juw h SER 14 Ca 0.02 -0.03 -0.02 0.00 -0.47 0.00 0.00 61.79 61.29 2juw h SER 14 Cb 0.08 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 62.13 2juw h SER 14 CO -0.04 0.30 -0.04 -0.07 -0.87 0.00 0.00 176.83 176.11 2juw h LEU 15 N 0.16 0.11 -0.99 5.97 4.07 -0.87 -2.67 115.31 121.10 2juw h LEU 15 Ca 0.03 -0.50 0.11 0.00 0.08 0.00 0.00 57.88 57.61 2juw h LEU 15 Cb 0.32 -0.03 -0.08 0.00 1.08 0.00 0.00 40.66 41.95 2juw h LEU 15 CO 0.02 0.59 0.62 0.40 -1.08 0.00 0.00 178.44 178.98 2juw h ILE 16 N -0.37 0.93 -0.07 1.22 2.04 -0.17 -1.34 117.51 119.74 2juw h ILE 16 Ca 0.01 -0.34 0.03 0.00 1.00 0.00 0.00 64.86 65.56 2juw h ILE 16 Cb 0.56 -0.14 -0.04 0.00 -0.74 0.00 0.00 36.82 36.46 2juw h ILE 16 CO 0.01 0.18 -0.15 0.00 0.00 0.00 0.00 178.15 178.19 2juw h ALA 17 N 1.53 -0.12 -0.55 1.87 0.00 -0.93 0.19 119.26 121.25 2juw h ALA 17 Ca 0.48 0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.49 2juw h ALA 17 Cb 0.46 0.29 -0.05 0.00 0.00 0.00 0.00 17.79 18.48 2juw h ALA 17 CO -0.26 -0.62 0.26 0.93 0.00 0.00 0.00 179.25 179.56 2juw h GLU 18 N -0.21 0.47 -0.35 0.00 4.39 -0.92 0.13 114.58 118.08 2juw h GLU 18 Ca 0.07 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.72 2juw h GLU 18 Cb 0.32 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 2juw h GLU 18 CO -0.20 0.31 0.10 0.82 -1.16 0.00 0.00 179.01 178.88 2juw h ILE 19 N 0.48 1.21 -0.19 3.13 2.04 -0.85 -2.53 117.51 120.82 2juw h ILE 19 Ca 0.26 -0.70 -0.08 0.00 1.00 0.00 0.00 64.86 65.33 2juw h ILE 19 Cb 0.22 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 2juw h ILE 19 CO -0.21 0.24 -0.24 -0.07 0.00 0.00 0.00 178.15 177.87 2juw h LEU 20 N 0.41 0.33 -0.82 1.44 3.38 -0.20 -2.41 115.31 117.44 2juw h LEU 20 Ca 0.11 -0.10 0.03 0.00 0.09 0.00 0.00 57.88 58.01 2juw h LEU 20 Cb 0.27 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.88 2juw h LEU 20 CO -0.00 0.58 0.53 0.58 0.09 0.00 0.00 178.44 180.22 2juw h VAL 21 N 0.30 1.13 -0.18 1.22 2.07 -0.40 0.24 116.25 120.64 2juw h VAL 21 Ca 0.05 -0.35 0.01 0.00 0.82 0.00 0.00 66.70 67.23 2juw h VAL 21 Cb 0.59 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 2juw h VAL 21 CO 0.04 0.19 0.07 0.58 0.02 0.00 0.00 177.57 178.47 2juw h VAL 22 N 1.03 0.98 -0.53 2.57 2.07 -1.03 0.41 116.25 121.75 2juw h VAL 22 Ca 0.33 -0.06 0.04 0.00 0.82 0.00 0.00 66.70 67.83 2juw h VAL 22 Cb 0.01 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 2juw h VAL 22 CO -0.11 0.03 0.35 -0.07 0.02 0.00 0.00 177.57 177.79 2juw h LEU 23 N 0.17 0.49 -0.13 2.57 3.38 -1.09 -2.55 115.31 118.14 2juw h LEU 23 Ca 0.07 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.96 2juw h LEU 23 Cb 0.03 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.67 2juw h LEU 23 CO -0.06 0.33 -0.24 -0.33 0.09 0.00 0.00 178.44 178.23 2juw h GLU 24 N 0.57 0.39 -0.58 1.13 4.39 0.51 -1.31 114.58 119.67 2juw h GLU 24 Ca 0.22 -0.25 0.06 0.00 0.34 0.00 0.00 59.36 59.74 2juw h GLU 24 Cb 0.16 0.03 -0.06 0.00 -0.10 0.00 0.00 28.75 28.79 2juw h GLU 24 CO -0.06 0.84 0.28 0.87 -1.16 0.00 0.00 179.01 179.78 2juw h LYS 25 N -0.02 0.51 -0.01 2.33 1.57 0.17 -0.13 116.57 120.99 2juw h LYS 25 Ca 0.01 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2juw h LYS 25 Cb 0.82 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.02 2juw h LYS 25 CO 0.05 0.34 -0.19 0.72 -0.57 0.00 0.00 179.45 179.80 2juw n HIS 26 N -4.89 0.00 -3.43 -1.35 8.25 -1.00 -4.98 115.22 107.82 2juw n HIS 26 Ca 0.07 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.30 2juw n HIS 26 Cb 0.19 -0.12 0.01 0.00 1.12 0.00 0.00 29.99 31.18 2juw n HIS 26 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 2juw n LYS 27 N -0.64 -1.31 -2.54 -0.41 2.85 -0.06 -4.88 118.16 111.18 2juw n LYS 27 Ca 0.13 0.71 -0.42 0.00 -1.05 0.00 0.00 58.31 57.69 2juw n LYS 27 Cb 0.33 -1.73 -0.03 0.00 -0.65 0.00 0.00 35.03 32.95 2juw n LYS 27 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2juw s ALA 28 N -2.44 3.31 0.95 0.58 0.00 -0.93 -5.03 121.76 118.21 2juw s ALA 28 Ca 0.07 0.74 -0.11 0.00 0.00 0.00 0.00 51.96 52.65 2juw s ALA 28 Cb -0.01 -3.39 0.16 0.00 0.00 0.00 0.00 23.12 19.88 2juw s ALA 28 CO 0.72 -0.32 1.10 -1.25 0.00 0.00 0.00 175.76 176.00 2juw s PRO 29 N 0.81 0.75 0.20 0.00 0.04 -1.26 -4.63 135.00 130.91 2juw s PRO 29 Ca 0.55 1.16 -0.11 0.00 0.04 0.00 0.00 61.00 62.64 2juw s PRO 29 Cb -0.27 -1.72 0.24 0.00 0.04 0.00 0.00 34.50 32.79 2juw s PRO 29 CO 0.30 -2.69 1.74 1.15 0.04 0.00 0.00 177.00 177.54 2juw h THR 30 N -1.89 0.77 0.33 1.26 2.02 -1.99 0.29 112.91 113.70 2juw h THR 30 Ca -0.49 -0.12 -0.01 0.00 0.77 0.00 0.00 66.41 66.56 2juw h THR 30 Cb 1.28 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 68.06 2juw h THR 30 CO 0.48 0.06 -0.24 0.44 0.37 0.00 0.00 175.52 176.64 2juw h ASP 31 N 0.36 -0.61 -0.19 4.18 5.19 -2.00 -2.18 116.42 121.16 2juw h ASP 31 Ca 0.28 0.05 -0.03 0.00 -0.62 0.00 0.00 57.03 56.71 2juw h ASP 31 Cb 0.35 0.19 -0.02 0.00 0.18 0.00 0.00 39.33 40.04 2juw h ASP 31 CO -0.30 -0.37 0.04 0.25 -3.12 0.00 0.00 179.24 175.74 2juw h LEU 32 N -0.56 0.37 0.10 1.55 5.85 -1.74 -1.15 115.31 119.73 2juw h LEU 32 Ca -0.03 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 2juw h LEU 32 Cb 0.49 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.42 2juw h LEU 32 CO 0.00 0.41 -0.05 0.28 -0.34 0.00 0.00 178.44 178.74 2juw h SER 33 N 0.40 -0.12 -0.52 1.25 0.02 -0.16 0.48 113.55 114.91 2juw h SER 33 Ca 0.09 -0.05 -0.08 0.00 -0.84 0.00 0.00 61.79 60.92 2juw h SER 33 Cb 0.21 0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.75 2juw h SER 33 CO 0.00 -0.03 0.04 -0.07 -1.14 0.00 0.00 176.83 175.63 2juw h LEU 34 N -0.20 0.90 -0.35 5.07 3.38 -0.98 -0.47 115.31 122.66 2juw h LEU 34 Ca -0.01 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 2juw h LEU 34 Cb 0.16 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 2juw h LEU 34 CO 0.02 0.94 0.16 0.24 0.09 0.00 0.00 178.44 179.89 2juw h MET 35 N 0.88 0.51 0.42 1.13 2.86 -1.02 -0.70 114.93 119.01 2juw h MET 35 Ca 0.17 -0.08 -0.02 0.00 -2.06 0.00 0.00 59.70 57.71 2juw h MET 35 Cb 0.46 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.03 2juw h MET 35 CO 0.02 0.47 -0.20 0.00 1.06 0.00 0.00 176.91 178.26 2juw h ALA 36 N 1.01 -0.57 -0.70 6.32 0.00 -0.66 -2.97 119.26 121.69 2juw h ALA 36 Ca 0.12 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.86 2juw h ALA 36 Cb 0.14 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 2juw h ALA 36 CO -0.01 -0.61 0.46 -0.07 0.00 0.00 0.00 179.25 179.02 2juw h LEU 37 N -0.99 0.79 -0.08 0.00 -0.00 -1.14 -1.65 115.31 112.25 2juw h LEU 37 Ca -0.06 -0.02 -0.00 0.00 -0.00 0.00 0.00 57.88 57.80 2juw h LEU 37 Cb 0.55 -0.20 -0.00 0.00 -0.00 0.00 0.00 40.66 41.02 2juw h LEU 37 CO 0.10 0.57 0.04 1.23 -0.00 0.00 0.00 178.44 180.37 2juw h GLY 38 N 0.93 0.12 2.00 0.83 0.00 -1.18 -2.58 103.07 103.19 2juw h GLY 38 Ca 0.26 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.53 2juw h GLY 38 CO -0.06 0.05 0.00 3.43 0.00 0.00 0.00 176.54 179.96 2juw h ASN 39 N 0.02 0.00 -0.22 0.19 2.35 -1.30 -2.65 115.58 113.97 2juw h ASN 39 Ca 0.03 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.74 2juw h ASN 39 Cb 0.10 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 2juw h ASN 39 CO -0.00 0.00 -0.01 0.00 -1.65 0.00 0.00 177.43 175.77 2juw h VAL 41 N 0.16 1.04 -0.99 0.00 2.07 -1.12 -0.39 116.25 117.02 2juw h VAL 41 Ca 0.06 -0.19 0.01 0.00 0.82 0.00 0.00 66.70 67.40 2juw h VAL 41 Cb 0.42 0.44 -0.05 0.00 -1.52 0.00 0.00 31.29 30.58 2juw h VAL 41 CO 0.01 0.10 0.64 0.74 0.02 0.00 0.00 177.57 179.09 2juw h THR 42 N 0.55 1.26 -0.16 2.57 2.02 -1.44 -0.58 112.91 117.13 2juw h THR 42 Ca 0.19 -0.49 -0.12 0.00 0.77 0.00 0.00 66.41 66.76 2juw h THR 42 Cb 0.02 -0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 66.24 2juw h THR 42 CO -0.09 0.25 -0.42 -0.74 0.37 0.00 0.00 175.52 174.89 2juw h HIS 43 N 1.34 0.46 -0.14 3.16 2.76 -0.50 0.16 115.15 122.39 2juw h HIS 43 Ca 0.36 -0.13 -0.01 0.00 -2.20 0.00 0.00 60.37 58.38 2juw h HIS 43 Cb -0.14 -0.10 -0.01 0.00 1.55 0.00 0.00 27.41 28.72 2juw h HIS 43 CO 0.00 0.75 0.03 -0.07 -1.30 0.00 0.00 177.93 177.33 2juw h LEU 44 N 0.32 0.21 -0.34 0.26 3.38 -0.55 -1.54 115.31 117.05 2juw h LEU 44 Ca 0.03 -0.25 0.06 0.00 0.09 0.00 0.00 57.88 57.80 2juw h LEU 44 Cb 0.88 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.52 2juw h LEU 44 CO 0.07 0.41 0.04 -0.07 0.09 0.00 0.00 178.44 178.98 2juw h LEU 45 N 0.01 -0.05 0.72 1.67 3.38 -0.83 -0.27 115.31 119.94 2juw h LEU 45 Ca 0.04 0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 2juw h LEU 45 Cb 0.28 0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.14 2juw h LEU 45 CO 0.00 0.01 -0.38 -0.08 0.09 0.00 0.00 178.44 178.08 2juw h GLU 46 N 0.15 -0.97 -0.37 1.13 4.57 -0.55 -2.08 114.58 116.46 2juw h GLU 46 Ca 0.17 0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.41 2juw h GLU 46 Cb 0.20 0.22 0.00 0.00 -0.16 0.00 0.00 28.75 29.02 2juw h GLU 46 CO -0.24 -0.65 0.00 0.54 -1.18 0.00 0.00 179.01 177.48 2juw n ARG 47 N -4.82 2.34 -0.01 1.92 5.12 -0.59 -4.13 116.66 116.49 2juw n ARG 47 Ca -0.12 -2.10 0.00 0.00 -1.93 0.00 0.00 57.85 53.70 2juw n ARG 47 Cb 0.41 -1.40 -0.02 0.00 -1.16 0.00 0.00 32.46 30.29 2juw n ARG 47 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 2juw n LYS 48 N 1.08 1.62 -4.82 5.56 4.01 -0.13 -5.03 118.16 120.45 2juw n LYS 48 Ca 0.16 -0.01 -0.33 0.00 -0.51 0.00 0.00 58.31 57.62 2juw n LYS 48 Cb 0.50 -1.06 -0.13 0.00 -0.51 0.00 0.00 35.03 33.83 2juw n LYS 48 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 2juw s VAL 49 N -2.12 3.12 0.66 -0.18 1.01 -0.78 -5.01 120.40 117.10 2juw s VAL 49 Ca -0.01 -0.67 -0.17 0.00 0.00 0.00 0.00 61.98 61.12 2juw s VAL 49 Cb 0.01 -2.26 -0.03 0.00 0.00 0.00 0.00 36.38 34.10 2juw s VAL 49 CO 0.09 0.56 0.91 -0.81 0.00 0.00 0.00 175.10 175.86 2juw n PRO 50 N 2.81 0.69 -0.05 2.72 -0.04 -1.26 -4.50 135.00 135.36 2juw n PRO 50 Ca -0.18 0.28 -0.09 0.00 -0.04 0.00 0.00 63.50 63.48 2juw n PRO 50 Cb 0.52 -2.14 -0.02 0.00 -0.04 0.00 0.00 33.50 31.82 2juw n PRO 50 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2juw h SER 51 N 0.13 -0.93 0.24 3.54 0.87 -1.89 0.25 113.55 115.75 2juw h SER 51 Ca -0.48 0.16 -0.04 0.00 -1.23 0.00 0.00 61.79 60.19 2juw h SER 51 Cb 1.36 0.42 -0.01 0.00 -0.44 0.00 0.00 62.40 63.73 2juw h SER 51 CO 0.48 -0.32 -0.21 -0.33 -0.53 0.00 0.00 176.83 175.92 2juw h GLU 52 N -0.30 0.00 0.00 2.24 5.08 -1.99 -1.85 114.58 117.76 2juw h GLU 52 Ca 0.13 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.39 2juw h GLU 52 Cb 0.51 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 2juw h GLU 52 CO -0.42 0.21 -0.52 0.77 -1.00 0.00 0.00 179.01 178.06 2juw h SER 53 N 0.00 0.00 -0.65 1.42 0.02 -1.42 -3.06 113.55 109.86 2juw h SER 53 Ca -0.00 0.00 0.08 0.00 -0.84 0.00 0.00 61.79 61.03 2juw h SER 53 Cb 0.39 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.86 2juw h SER 53 CO 0.03 0.46 0.30 0.03 -1.14 0.00 0.00 176.83 176.51 2juw h ARG 54 N 0.00 0.52 -0.16 3.45 3.08 0.29 0.29 114.38 121.85 2juw h ARG 54 Ca -0.01 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 2juw h ARG 54 Cb 1.36 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 31.29 2juw h ARG 54 CO 0.06 0.34 0.03 1.96 -1.07 0.00 0.00 179.97 181.29 2juw h GLN 55 N 0.54 0.26 -0.25 0.04 4.20 -1.53 -0.44 115.11 117.93 2juw h GLN 55 Ca 0.32 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.93 2juw h GLN 55 Cb 0.33 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 2juw h GLN 55 CO -0.26 0.43 0.04 0.00 -0.67 0.00 0.00 178.83 178.37 2juw h ALA 56 N 0.82 0.33 -0.26 3.87 0.00 -1.34 -1.84 119.26 120.84 2juw h ALA 56 Ca 0.05 -0.18 -0.14 0.00 0.00 0.00 0.00 54.91 54.63 2juw h ALA 56 Cb 0.29 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2juw h ALA 56 CO 0.00 0.01 -0.43 0.28 0.00 0.00 0.00 179.25 179.12 2juw h VAL 57 N 0.22 1.30 -0.21 0.00 2.07 -0.47 -2.51 116.25 116.64 2juw h VAL 57 Ca 0.07 -1.61 0.02 0.00 0.82 0.00 0.00 66.70 66.00 2juw h VAL 57 Cb 0.33 1.56 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 2juw h VAL 57 CO 0.01 0.51 0.10 0.00 0.02 0.00 0.00 177.57 178.20 2juw h ALA 58 N 1.02 0.25 -0.20 1.67 0.00 -0.95 0.41 119.26 121.45 2juw h ALA 58 Ca 0.04 0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.01 2juw h ALA 58 Cb 0.95 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.65 2juw h ALA 58 CO 0.09 -0.32 -0.26 1.49 0.00 0.00 0.00 179.25 180.24 2juw h GLU 59 N 0.21 -0.28 0.11 0.00 4.57 -1.22 0.67 114.58 118.64 2juw h GLU 59 Ca 0.09 0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.28 2juw h GLU 59 Cb 0.03 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.69 2juw h GLU 59 CO -0.07 -0.19 -0.05 1.96 -1.18 0.00 0.00 179.01 179.48 2juw h GLN 60 N -0.29 -0.14 -0.55 1.92 4.20 -1.10 -2.69 115.11 116.46 2juw h GLN 60 Ca 0.12 0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.84 2juw h GLN 60 Cb 0.48 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.27 2juw h GLN 60 CO -0.37 0.15 0.32 0.35 -0.67 0.00 0.00 178.83 178.61 2juw h PHE 61 N -0.44 0.72 -0.62 2.96 3.57 -0.09 0.40 116.94 123.45 2juw h PHE 61 Ca -0.02 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.49 2juw h PHE 61 Cb 0.36 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 38.83 2juw h PHE 61 CO 0.02 0.50 0.41 0.00 -2.23 0.00 0.00 178.31 177.01 2juw h ALA 62 N 1.16 0.79 0.00 2.41 0.00 -0.87 0.25 119.26 122.99 2juw h ALA 62 Ca 0.20 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 2juw h ALA 62 Cb -0.01 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 2juw h ALA 62 CO -0.04 0.21 -0.72 0.87 0.00 0.00 0.00 179.25 179.57 2juw h LYS 63 N 0.83 0.00 -0.10 0.00 1.57 -1.14 -2.64 116.57 115.09 2juw h LYS 63 Ca 0.23 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.86 2juw h LYS 63 Cb -0.08 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 2juw h LYS 63 CO -0.06 0.37 -0.60 0.00 -0.57 0.00 0.00 179.45 178.59 2juw h ALA 64 N 1.56 0.78 0.10 3.86 0.00 0.16 0.17 119.26 125.90 2juw h ALA 64 Ca -0.04 -0.54 -0.01 0.00 0.00 0.00 0.00 54.91 54.32 2juw h ALA 64 Cb 1.37 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2juw h ALA 64 CO 0.05 0.72 -0.05 1.25 0.00 0.00 0.00 179.25 181.22 2juw h LEU 65 N 0.26 -0.12 -1.31 0.00 5.85 -0.47 0.19 115.31 119.71 2juw h LEU 65 Ca -0.00 -0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.58 2juw h LEU 65 Cb 1.12 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 42.16 2juw h LEU 65 CO 0.10 0.02 0.10 0.00 -0.34 0.00 0.00 178.44 178.33 2juw h ALA 66 N 0.63 1.45 -0.11 1.25 0.00 -1.39 0.18 119.26 121.27 2juw h ALA 66 Ca -0.01 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 2juw h ALA 66 Cb 0.21 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 2juw h ALA 66 CO 0.02 0.41 0.06 0.37 0.00 0.00 0.00 179.25 180.11 2juw h GLN 67 N 0.56 0.15 -0.73 0.00 4.15 -0.40 0.14 115.11 118.99 2juw h GLN 67 Ca 0.13 -0.02 -0.05 0.00 0.77 0.00 0.00 58.65 59.48 2juw h GLN 67 Cb 0.20 -0.03 -0.03 0.00 0.21 0.00 0.00 27.48 27.84 2juw h GLN 67 CO -0.00 0.20 0.24 0.77 -1.93 0.00 0.00 178.83 178.10 2juw h SER 68 N 0.07 1.05 0.26 -0.69 0.02 0.13 0.43 113.55 114.82 2juw h SER 68 Ca 0.04 -0.20 -0.10 0.00 -0.84 0.00 0.00 61.79 60.68 2juw h SER 68 Cb 0.09 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.34 2juw h SER 68 CO -0.01 0.97 -0.41 0.58 -1.14 0.00 0.00 176.83 176.83 2juw h VAL 69 N 1.07 1.31 -0.14 2.27 2.07 -0.58 0.83 116.25 123.07 2juw h VAL 69 Ca 0.24 -1.50 -0.18 0.00 0.82 0.00 0.00 66.70 66.08 2juw h VAL 69 Cb 0.29 1.70 -0.00 0.00 -1.52 0.00 0.00 31.29 31.75 2juw h VAL 69 CO -0.01 0.44 -0.65 0.50 0.02 0.00 0.00 177.57 177.87 2juw h LYS 70 N 0.16 0.55 -0.03 1.57 3.64 -0.08 -2.75 116.57 119.63 2juw h LYS 70 Ca 0.01 -0.40 0.00 0.00 -1.27 0.00 0.00 60.65 59.00 2juw h LYS 70 Cb 0.80 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.68 2juw h LYS 70 CO 0.06 1.02 0.00 0.45 -2.27 0.00 0.00 179.45 178.71 2juw n SER 71 N -3.91 1.36 0.17 4.20 2.88 0.08 -3.83 113.62 114.58 2juw n SER 71 Ca -0.04 -1.48 0.03 0.00 -1.33 0.00 0.00 58.87 56.05 2juw n SER 71 Cb 0.67 -0.01 0.31 0.00 -0.75 0.00 0.00 64.21 64.42 2juw n SER 71 CO 0.00 0.00 0.00 -1.13 -1.23 0.00 0.00 175.04 172.68 2juw h ASN 72 N 2.09 0.00 0.25 -3.46 -0.00 -0.51 -2.99 115.58 110.95 2juw h ASN 72 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 56.30 56.29 2juw h ASN 72 Cb 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.77 2juw h ASN 72 CO 0.00 0.44 -0.12 -0.07 -0.00 0.00 0.00 177.43 177.68 2juw h LEU 73 N 0.00 -0.28 -0.33 0.34 3.38 -1.69 -3.50 115.31 113.22 2juw h LEU 73 Ca -0.00 -0.20 0.12 0.00 0.09 0.00 0.00 57.88 57.88 2juw h LEU 73 Cb 0.88 0.07 -0.07 0.00 0.09 0.00 0.00 40.66 41.64 2juw h LEU 73 CO 0.06 0.07 -0.59 1.21 0.09 0.00 0.00 178.44 179.28 2juw n GLU 74 N -5.09 -1.77 0.00 1.13 4.07 -1.13 -5.06 120.64 112.77 2juw n GLU 74 Ca -0.09 1.43 0.00 0.00 -0.06 0.00 0.00 57.16 58.44 2juw n GLU 74 Cb 0.25 -1.95 0.00 0.00 -0.06 0.00 0.00 31.44 29.67 2juw n GLU 74 CO 0.00 0.00 0.00 0.72 -0.06 0.00 0.00 177.13 177.79 2juw n HIS 75 N -2.83 0.00 0.00 4.31 8.25 -1.26 -4.89 115.22 118.80 2juw n HIS 75 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 2juw n HIS 75 Cb 0.31 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.42 2juw n HIS 75 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2juw n HIS 76 N 0.00 0.00 -3.12 4.41 8.25 -1.26 -4.80 115.22 118.71 2juw n HIS 76 Ca 0.00 0.00 -0.44 0.00 -0.26 0.00 0.00 57.72 57.02 2juw n HIS 76 Cb 0.00 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.06 2juw n HIS 76 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2juw s HIS 77 N 0.00 3.00 -1.36 4.41 3.76 -1.26 -4.97 115.29 118.88 2juw s HIS 77 Ca 0.00 -0.76 -0.15 0.00 -0.15 0.00 0.00 55.06 53.99 2juw s HIS 77 Cb 0.00 -3.83 0.07 0.00 1.11 0.00 0.00 32.58 29.93 2juw s HIS 77 CO 0.00 -1.21 1.92 0.72 -0.85 0.00 0.00 174.74 175.33 2juw n HIS 78 N 6.34 4.12 1.01 1.40 8.25 -1.26 -4.32 115.22 130.76 2juw n HIS 78 Ca -0.08 -2.93 0.10 0.00 -0.26 0.00 0.00 57.72 54.55 2juw n HIS 78 Cb 0.44 -2.53 -0.06 0.00 1.12 0.00 0.00 29.99 28.96 2juw n HIS 78 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2juw n HIS 79 N 6.96 0.00 -0.38 4.41 1.44 -1.26 -5.29 115.22 121.09 2juw n HIS 79 Ca 0.49 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 56.20 2juw n HIS 79 Cb 0.42 -0.02 0.00 0.00 0.12 0.00 0.00 29.99 30.51 2juw n HIS 79 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11