#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2juw s ALA 2 N 0.00 3.39 -0.18 3.17 0.00 -1.26 -4.97 121.76 121.92 2juw s ALA 2 Ca 0.00 1.20 -0.18 0.00 0.00 0.00 0.00 51.96 52.98 2juw s ALA 2 Cb 0.00 -3.46 -0.14 0.00 0.00 0.00 0.00 23.12 19.51 2juw s ALA 2 CO 0.00 -0.65 0.14 -0.84 0.00 0.00 0.00 175.76 174.42 2juw h ILE 3 N 2.82 0.70 0.00 0.00 3.07 -2.10 -3.50 117.51 118.50 2juw h ILE 3 Ca -0.49 -1.82 0.00 0.00 1.55 0.00 0.00 64.86 64.11 2juw h ILE 3 Cb 1.23 1.61 0.00 0.00 -0.27 0.00 0.00 36.82 39.39 2juw h ILE 3 CO 0.64 0.24 0.00 0.00 -1.05 0.00 0.00 178.15 177.98 2juw n GLN 4 N -4.51 0.00 -0.16 0.16 10.64 -1.26 -5.02 117.38 117.23 2juw n GLN 4 Ca -0.22 0.00 0.10 0.00 -1.83 0.00 0.00 57.00 55.05 2juw n GLN 4 Cb 0.52 0.00 0.18 0.00 -0.86 0.00 0.00 30.24 30.08 2juw n GLN 4 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 2juw n SER 5 N 0.00 3.20 -4.55 2.61 7.64 -1.26 -4.88 113.62 116.39 2juw n SER 5 Ca 0.00 -1.93 -0.43 0.00 1.01 0.00 0.00 58.87 57.52 2juw n SER 5 Cb 0.00 -0.21 -0.04 0.00 -1.01 0.00 0.00 64.21 62.96 2juw n SER 5 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2juw s LYS 6 N -1.38 3.43 0.00 1.43 2.20 -1.26 -4.95 119.74 119.22 2juw s LYS 6 Ca 0.33 -0.03 0.00 0.00 -0.36 0.00 0.00 55.97 55.91 2juw s LYS 6 Cb 0.20 -4.00 0.00 0.00 -1.51 0.00 0.00 37.83 32.52 2juw s LYS 6 CO 0.28 -1.40 0.68 0.66 -0.36 0.00 0.00 175.35 175.21 2juw n TYR 7 N 7.45 0.00 0.00 4.03 4.02 -1.26 -4.94 117.16 126.47 2juw n TYR 7 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.93 2juw n TYR 7 Cb 0.48 -0.24 0.00 0.00 -0.02 0.00 0.00 39.34 39.56 2juw n TYR 7 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 2juw n SER 8 N -1.98 0.00 -0.10 7.72 2.88 -1.26 -4.92 113.62 115.96 2juw n SER 8 Ca 0.00 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.43 2juw n SER 8 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 2juw n SER 8 CO 0.00 0.00 0.00 -1.13 -1.23 0.00 0.00 175.04 172.68 2juw h ASN 9 N 0.00 0.49 0.53 -3.46 -1.24 -2.00 -2.71 115.58 107.18 2juw h ASN 9 Ca 0.00 -0.28 -0.12 0.00 0.71 0.00 0.00 56.30 56.60 2juw h ASN 9 Cb 0.00 -0.13 -0.02 0.00 0.73 0.00 0.00 38.32 38.90 2juw h ASN 9 CO 0.00 0.65 -0.57 0.71 -1.29 0.00 0.00 177.43 176.93 2juw h THR 10 N 0.31 1.41 -0.32 -3.57 1.35 -1.97 0.03 112.91 110.14 2juw h THR 10 Ca 0.09 -1.95 0.02 0.00 -0.55 0.00 0.00 66.41 64.01 2juw h THR 10 Cb 0.38 2.04 -0.02 0.00 -1.73 0.00 0.00 68.15 68.82 2juw h THR 10 CO 0.01 0.56 0.16 -0.61 -0.25 0.00 0.00 175.52 175.40 2juw h GLN 11 N 0.03 0.33 -0.22 4.72 5.75 -1.89 0.28 115.11 124.11 2juw h GLN 11 Ca -0.00 -0.02 -0.07 0.00 -0.15 0.00 0.00 58.65 58.41 2juw h GLN 11 Cb 1.02 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 29.49 2juw h GLN 11 CO 0.08 0.22 -0.13 0.28 -2.65 0.00 0.00 178.83 176.62 2juw h VAL 12 N 0.34 1.31 0.48 2.39 2.07 -1.22 -2.46 116.25 119.15 2juw h VAL 12 Ca 0.13 -1.23 -0.02 0.00 0.82 0.00 0.00 66.70 66.40 2juw h VAL 12 Cb 0.04 1.63 -0.00 0.00 -1.52 0.00 0.00 31.29 31.44 2juw h VAL 12 CO -0.08 0.38 -0.27 -0.08 0.02 0.00 0.00 177.57 177.54 2juw h GLU 13 N 0.19 -0.67 -0.34 1.57 4.81 -0.74 -0.60 114.58 118.80 2juw h GLU 13 Ca 0.05 0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.29 2juw h GLU 13 Cb 0.64 0.15 -0.02 0.00 0.63 0.00 0.00 28.75 30.16 2juw h GLU 13 CO 0.04 -0.45 0.09 0.66 -0.73 0.00 0.00 179.01 178.62 2juw h SER 14 N -0.70 0.45 0.65 1.04 4.64 -0.54 0.38 113.55 119.48 2juw h SER 14 Ca -0.06 -0.06 -0.03 0.00 -0.47 0.00 0.00 61.79 61.17 2juw h SER 14 Cb 0.55 -0.12 0.01 0.00 -0.31 0.00 0.00 62.40 62.54 2juw h SER 14 CO 0.08 0.45 -0.31 0.25 -0.87 0.00 0.00 176.83 176.43 2juw h LEU 15 N 0.49 -0.74 -1.03 5.97 5.85 -1.14 -0.61 115.31 124.09 2juw h LEU 15 Ca 0.12 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.84 2juw h LEU 15 Cb 0.18 0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.37 2juw h LEU 15 CO -0.00 -0.53 0.35 0.40 -0.34 0.00 0.00 178.44 178.31 2juw h ILE 16 N -0.88 1.23 -0.34 4.05 2.04 -0.63 -2.58 117.51 120.41 2juw h ILE 16 Ca -0.09 -0.65 0.02 0.00 1.00 0.00 0.00 64.86 65.15 2juw h ILE 16 Cb 0.67 0.30 -0.03 0.00 -0.74 0.00 0.00 36.82 37.02 2juw h ILE 16 CO 0.15 0.27 0.16 0.00 0.00 0.00 0.00 178.15 178.73 2juw h ALA 17 N 1.35 0.41 -0.59 1.87 0.00 -0.07 -1.29 119.26 120.95 2juw h ALA 17 Ca 0.25 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.13 2juw h ALA 17 Cb 0.11 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 2juw h ALA 17 CO -0.03 -0.21 0.17 0.93 0.00 0.00 0.00 179.25 180.11 2juw h GLU 18 N 0.34 0.89 -0.40 0.00 5.08 -0.82 0.12 114.58 119.79 2juw h GLU 18 Ca 0.14 -0.17 0.01 0.00 -1.00 0.00 0.00 59.36 58.34 2juw h GLU 18 Cb 0.06 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 2juw h GLU 18 CO -0.10 0.78 0.24 0.82 -1.00 0.00 0.00 179.01 179.75 2juw h ILE 19 N 0.86 1.05 -0.51 3.13 2.04 -1.04 0.18 117.51 123.23 2juw h ILE 19 Ca 0.19 -0.17 -0.06 0.00 1.00 0.00 0.00 64.86 65.83 2juw h ILE 19 Cb 0.27 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 2juw h ILE 19 CO -0.01 0.09 0.11 -0.07 0.00 0.00 0.00 178.15 178.27 2juw h LEU 20 N 0.49 0.80 -0.97 1.44 3.38 -0.70 -1.80 115.31 117.95 2juw h LEU 20 Ca 0.16 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 2juw h LEU 20 Cb -0.01 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 2juw h LEU 20 CO -0.07 0.84 0.25 0.58 0.09 0.00 0.00 178.44 180.13 2juw h VAL 21 N 0.72 1.24 -0.30 1.22 2.07 -0.30 -0.91 116.25 119.99 2juw h VAL 21 Ca 0.16 -0.77 -0.05 0.00 0.82 0.00 0.00 66.70 66.87 2juw h VAL 21 Cb 0.36 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 2juw h VAL 21 CO 0.01 0.30 0.01 0.58 0.02 0.00 0.00 177.57 178.49 2juw h VAL 22 N 0.97 1.25 -0.40 2.57 2.07 -0.46 0.39 116.25 122.65 2juw h VAL 22 Ca 0.22 -0.92 0.08 0.00 0.82 0.00 0.00 66.70 66.90 2juw h VAL 22 Cb 0.22 1.27 -0.09 0.00 -1.52 0.00 0.00 31.29 31.17 2juw h VAL 22 CO -0.02 0.30 -0.27 -0.07 0.02 0.00 0.00 177.57 177.53 2juw h LEU 23 N 0.32 -0.91 -0.46 2.57 3.38 -0.95 -1.69 115.31 117.57 2juw h LEU 23 Ca 0.09 0.18 -0.04 0.00 0.09 0.00 0.00 57.88 58.19 2juw h LEU 23 Cb 0.42 0.45 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 2juw h LEU 23 CO 0.01 -0.29 -0.19 1.05 0.09 0.00 0.00 178.44 179.12 2juw h GLU 24 N -0.21 0.00 0.00 1.13 4.11 -0.97 -1.34 114.58 117.31 2juw h GLU 24 Ca 0.18 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.50 2juw h GLU 24 Cb 0.50 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 2juw h GLU 24 CO -0.51 0.19 -0.56 -0.22 0.07 0.00 0.00 179.01 177.98 2juw h LYS 25 N 0.00 0.00 -0.02 1.06 3.64 0.29 -2.56 116.57 118.98 2juw h LYS 25 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2juw h LYS 25 Cb 0.98 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.80 2juw h LYS 25 CO 0.02 0.56 -0.20 0.72 -2.27 0.00 0.00 179.45 178.28 2juw n HIS 26 N -3.68 0.00 -3.08 1.91 8.25 -0.68 -5.00 115.22 112.94 2juw n HIS 26 Ca -0.01 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.43 2juw n HIS 26 Cb 0.60 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.69 2juw n HIS 26 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 2juw n LYS 27 N 0.35 -1.40 -3.33 -0.41 4.81 -0.83 -4.98 118.16 112.37 2juw n LYS 27 Ca 0.13 1.51 -0.39 0.00 -0.87 0.00 0.00 58.31 58.68 2juw n LYS 27 Cb 0.47 -5.59 -0.08 0.00 0.02 0.00 0.00 35.03 29.85 2juw n LYS 27 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2juw s ALA 28 N -2.97 3.58 1.33 3.14 0.00 -0.57 -5.02 121.76 121.25 2juw s ALA 28 Ca 0.02 -0.73 -0.21 0.00 0.00 0.00 0.00 51.96 51.04 2juw s ALA 28 Cb -0.00 -2.78 0.33 0.00 0.00 0.00 0.00 23.12 20.67 2juw s ALA 28 CO 0.76 -0.69 1.01 -2.14 0.00 0.00 0.00 175.76 174.70 2juw s PRO 29 N 2.16 -2.20 0.25 0.00 0.02 -1.26 -4.58 135.00 129.39 2juw s PRO 29 Ca 0.18 0.05 -0.05 0.00 0.02 0.00 0.00 61.00 61.20 2juw s PRO 29 Cb -0.16 -1.47 0.28 0.00 0.02 0.00 0.00 34.50 33.17 2juw s PRO 29 CO 0.10 -4.38 1.81 1.15 -0.33 0.00 0.00 177.00 175.35 2juw h THR 30 N -3.06 1.24 -0.16 0.99 2.02 -1.99 0.78 112.91 112.73 2juw h THR 30 Ca -0.44 -0.78 0.01 0.00 0.77 0.00 0.00 66.41 65.97 2juw h THR 30 Cb 1.32 0.42 -0.02 0.00 -1.74 0.00 0.00 68.15 68.14 2juw h THR 30 CO 0.31 0.31 0.06 0.44 0.37 0.00 0.00 175.52 177.01 2juw h ASP 31 N 1.02 0.08 0.11 4.18 5.19 -2.00 -2.53 116.42 122.47 2juw h ASP 31 Ca 0.23 0.01 -0.25 0.00 -0.62 0.00 0.00 57.03 56.41 2juw h ASP 31 Cb 0.22 0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.74 2juw h ASP 31 CO -0.02 0.07 -0.99 0.25 -3.12 0.00 0.00 179.24 175.43 2juw h LEU 32 N 0.15 0.79 -0.14 1.55 5.85 -1.78 -2.54 115.31 119.19 2juw h LEU 32 Ca 0.07 -0.62 -0.01 0.00 0.84 0.00 0.00 57.88 58.16 2juw h LEU 32 Cb 0.03 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.82 2juw h LEU 32 CO -0.06 1.42 0.04 0.77 -0.34 0.00 0.00 178.44 180.26 2juw h SER 33 N 0.35 0.21 -0.65 1.25 4.64 -0.85 0.20 113.55 118.71 2juw h SER 33 Ca -0.11 -0.23 0.01 0.00 -0.47 0.00 0.00 61.79 61.00 2juw h SER 33 Cb 1.63 -0.06 -0.03 0.00 -0.31 0.00 0.00 62.40 63.64 2juw h SER 33 CO 0.19 0.38 0.42 -0.07 -0.87 0.00 0.00 176.83 176.88 2juw h LEU 34 N 0.03 0.73 -0.37 5.97 3.38 -1.52 -1.34 115.31 122.18 2juw h LEU 34 Ca 0.04 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 2juw h LEU 34 Cb 0.25 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 2juw h LEU 34 CO 0.00 0.52 -0.02 -0.03 0.09 0.00 0.00 178.44 179.01 2juw h MET 35 N 0.86 0.66 0.50 1.13 4.05 -1.22 -0.26 114.93 120.66 2juw h MET 35 Ca 0.24 -0.22 -0.02 0.00 -0.28 0.00 0.00 59.70 59.42 2juw h MET 35 Cb -0.08 -0.06 0.00 0.00 -0.80 0.00 0.00 31.60 30.67 2juw h MET 35 CO -0.06 0.78 -0.24 0.00 0.23 0.00 0.00 176.91 177.61 2juw h ALA 36 N 0.86 -0.68 -0.69 0.39 0.00 -0.41 -2.27 119.26 116.47 2juw h ALA 36 Ca 0.10 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 54.91 2juw h ALA 36 Cb 0.49 0.26 -0.06 0.00 0.00 0.00 0.00 17.79 18.48 2juw h ALA 36 CO 0.02 -0.80 0.37 -0.07 0.00 0.00 0.00 179.25 178.76 2juw h LEU 37 N -0.83 0.52 -0.50 0.00 -0.00 -1.28 -2.35 115.31 110.88 2juw h LEU 37 Ca -0.07 0.04 0.06 0.00 -0.00 0.00 0.00 57.88 57.92 2juw h LEU 37 Cb 0.58 -0.05 -0.06 0.00 -0.00 0.00 0.00 40.66 41.13 2juw h LEU 37 CO 0.11 0.32 0.19 1.23 -0.00 0.00 0.00 178.44 180.29 2juw h GLY 38 N 0.66 0.67 1.98 0.83 0.00 -0.93 -1.15 103.07 105.13 2juw h GLY 38 Ca 0.32 -0.11 -0.07 0.00 0.00 0.00 0.00 47.33 47.47 2juw h GLY 38 CO -0.22 0.02 -0.33 3.43 0.00 0.00 0.00 176.54 179.44 2juw h ASN 39 N 0.37 0.02 0.97 0.19 2.35 -1.07 -2.12 115.58 116.28 2juw h ASN 39 Ca 0.24 -0.01 -0.05 0.00 -0.55 0.00 0.00 56.30 55.93 2juw h ASN 39 Cb 0.24 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.59 2juw h ASN 39 CO -0.23 0.35 -0.25 0.00 -1.65 0.00 0.00 177.43 175.66 2juw h VAL 41 N 0.00 1.45 -0.09 0.00 2.07 -0.64 -3.08 116.25 115.96 2juw h VAL 41 Ca -0.00 -1.48 -0.07 0.00 0.82 0.00 0.00 66.70 65.97 2juw h VAL 41 Cb 0.80 2.44 -0.01 0.00 -1.52 0.00 0.00 31.29 32.99 2juw h VAL 41 CO 0.03 0.38 -0.28 0.71 0.02 0.00 0.00 177.57 178.43 2juw h THR 42 N -0.66 1.24 -0.69 2.57 1.35 -1.46 -1.28 112.91 113.98 2juw h THR 42 Ca -0.00 -1.12 0.17 0.00 -0.55 0.00 0.00 66.41 64.90 2juw h THR 42 Cb 0.63 1.49 -0.04 0.00 -1.73 0.00 0.00 68.15 68.50 2juw h THR 42 CO 0.00 0.33 0.47 -0.74 -0.25 0.00 0.00 175.52 175.34 2juw h HIS 43 N 0.14 0.24 0.15 4.73 6.17 -1.04 -0.45 115.15 125.08 2juw h HIS 43 Ca 0.02 0.01 -0.35 0.00 0.71 0.00 0.00 60.37 60.76 2juw h HIS 43 Cb 0.58 -0.08 -0.00 0.00 2.52 0.00 0.00 27.41 30.43 2juw h HIS 43 CO 0.01 0.09 -1.80 -0.07 0.71 0.00 0.00 177.93 176.87 2juw h LEU 44 N 0.20 0.48 -0.37 0.26 3.38 -1.17 -3.23 115.31 114.86 2juw h LEU 44 Ca 0.33 -0.83 0.00 0.00 0.09 0.00 0.00 57.88 57.48 2juw h LEU 44 Cb 1.02 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.60 2juw h LEU 44 CO -0.06 1.71 0.24 -0.07 0.09 0.00 0.00 178.44 180.35 2juw h LEU 45 N 0.08 0.43 -0.77 1.67 3.38 -0.67 -2.31 115.31 117.13 2juw h LEU 45 Ca -0.35 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.59 2juw h LEU 45 Cb 2.06 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.70 2juw h LEU 45 CO 0.14 0.33 0.00 -0.62 0.09 0.00 0.00 178.44 178.39 2juw n GLU 46 N -4.81 1.52 -0.11 1.13 1.02 -0.25 -2.30 120.64 116.83 2juw n GLU 46 Ca -0.00 -0.76 -0.22 0.00 -0.02 0.00 0.00 57.16 56.15 2juw n GLU 46 Cb 0.04 -1.42 -0.10 0.00 -0.02 0.00 0.00 31.44 29.94 2juw n GLU 46 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 2juw n ARG 47 N -0.05 0.56 -0.02 3.49 0.00 -0.90 -4.78 116.66 114.95 2juw n ARG 47 Ca 0.18 0.43 -0.02 0.00 -0.00 0.00 0.00 57.85 58.44 2juw n ARG 47 Cb 0.27 -1.63 -0.05 0.00 0.00 0.00 0.00 32.46 31.06 2juw n ARG 47 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 2juw n LYS 48 N -4.38 2.68 -3.18 -0.14 3.00 -1.00 -5.01 118.16 110.13 2juw n LYS 48 Ca -0.37 -0.01 -0.39 0.00 -0.00 0.00 0.00 58.31 57.54 2juw n LYS 48 Cb 0.71 -1.15 -0.06 0.00 0.00 0.00 0.00 35.03 34.54 2juw n LYS 48 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 2juw s VAL 49 N -2.18 5.10 0.60 3.15 1.01 -0.97 -5.05 120.40 122.06 2juw s VAL 49 Ca -0.03 1.16 -0.19 0.00 0.00 0.00 0.00 61.98 62.92 2juw s VAL 49 Cb 0.02 -3.92 -0.03 0.00 0.00 0.00 0.00 36.38 32.45 2juw s VAL 49 CO 0.24 0.24 1.27 -2.16 0.00 0.00 0.00 175.10 174.69 2juw s PRO 50 N 1.09 2.89 0.37 2.72 0.04 -1.26 -4.50 135.00 136.34 2juw s PRO 50 Ca 0.30 2.01 0.11 0.00 0.04 0.00 0.00 61.00 63.46 2juw s PRO 50 Cb -0.16 -1.99 0.87 0.00 0.04 0.00 0.00 34.50 33.26 2juw s PRO 50 CO 0.13 -1.32 1.87 0.77 0.04 0.00 0.00 177.00 178.48 2juw h SER 51 N 0.95 0.60 0.18 6.66 0.02 -1.96 0.44 113.55 120.44 2juw h SER 51 Ca -0.51 0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 60.48 2juw h SER 51 Cb 1.31 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.78 2juw h SER 51 CO 0.55 0.29 -0.09 -0.08 -1.14 0.00 0.00 176.83 176.36 2juw h GLU 52 N 0.63 -0.24 0.00 3.45 4.57 -2.01 -2.79 114.58 118.19 2juw h GLU 52 Ca 0.45 0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.64 2juw h GLU 52 Cb 0.81 0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 29.45 2juw h GLU 52 CO -0.20 -0.05 -0.05 0.77 -1.18 0.00 0.00 179.01 178.30 2juw h SER 53 N -0.38 0.00 -0.94 1.04 0.02 -1.75 -3.26 113.55 108.28 2juw h SER 53 Ca -0.03 0.00 0.09 0.00 -0.84 0.00 0.00 61.79 61.01 2juw h SER 53 Cb 0.30 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.77 2juw h SER 53 CO 0.04 0.05 0.60 -0.09 -1.14 0.00 0.00 176.83 176.29 2juw h ARG 54 N 0.00 0.96 -0.03 3.45 2.43 0.14 0.19 114.38 121.52 2juw h ARG 54 Ca -0.00 -0.06 -0.23 0.00 -0.81 0.00 0.00 59.98 58.88 2juw h ARG 54 Cb 0.92 -0.22 0.01 0.00 -0.42 0.00 0.00 29.97 30.26 2juw h ARG 54 CO 0.01 0.64 -0.92 1.96 -1.51 0.00 0.00 179.97 180.14 2juw h GLN 55 N 0.99 0.52 -0.48 0.20 4.20 -1.58 -2.89 115.11 116.07 2juw h GLN 55 Ca 0.43 -0.53 -0.05 0.00 0.06 0.00 0.00 58.65 58.56 2juw h GLN 55 Cb 0.34 0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.24 2juw h GLN 55 CO -0.19 1.16 0.12 0.00 -0.67 0.00 0.00 178.83 179.26 2juw h ALA 56 N 0.66 0.63 -0.89 3.87 0.00 -1.32 -2.11 119.26 120.10 2juw h ALA 56 Ca -0.08 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 2juw h ALA 56 Cb 1.56 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 19.12 2juw h ALA 56 CO 0.17 0.31 0.50 0.28 0.00 0.00 0.00 179.25 180.51 2juw h VAL 57 N 0.64 1.25 -0.91 0.00 2.07 -0.74 -1.89 116.25 116.68 2juw h VAL 57 Ca 0.15 -0.61 -0.01 0.00 0.82 0.00 0.00 66.70 67.05 2juw h VAL 57 Cb 0.32 0.04 -0.04 0.00 -1.52 0.00 0.00 31.29 30.09 2juw h VAL 57 CO 0.00 0.28 0.53 0.00 0.02 0.00 0.00 177.57 178.40 2juw h ALA 58 N 1.31 1.16 -0.50 1.67 0.00 -1.25 0.40 119.26 122.05 2juw h ALA 58 Ca 0.31 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 2juw h ALA 58 Cb 0.01 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.41 2juw h ALA 58 CO -0.05 0.64 0.26 0.93 0.00 0.00 0.00 179.25 181.03 2juw h GLU 59 N 1.26 0.72 -0.03 0.00 4.39 -0.82 -1.48 114.58 118.62 2juw h GLU 59 Ca 0.32 -0.10 -0.15 0.00 0.34 0.00 0.00 59.36 59.77 2juw h GLU 59 Cb -0.02 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.48 2juw h GLU 59 CO -0.06 0.58 -0.68 1.96 -1.16 0.00 0.00 179.01 179.66 2juw h GLN 60 N 0.67 0.15 -0.58 2.33 4.20 -0.83 -2.28 115.11 118.76 2juw h GLN 60 Ca 0.18 -0.12 0.01 0.00 0.06 0.00 0.00 58.65 58.77 2juw h GLN 60 Cb 0.09 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.87 2juw h GLN 60 CO -0.02 0.77 0.39 0.35 -0.67 0.00 0.00 178.83 179.64 2juw h PHE 61 N 0.10 0.73 -0.92 2.96 3.04 0.05 -0.66 116.94 122.24 2juw h PHE 61 Ca -0.01 0.02 -0.00 0.00 3.98 0.00 0.00 57.97 61.95 2juw h PHE 61 Cb 1.21 -0.25 -0.04 0.00 2.56 0.00 0.00 35.95 39.42 2juw h PHE 61 CO 0.02 0.46 0.57 0.00 -2.02 0.00 0.00 178.31 177.33 2juw h ALA 62 N 1.22 1.27 -0.84 2.41 0.00 -1.06 -2.24 119.26 120.01 2juw h ALA 62 Ca 0.22 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 2juw h ALA 62 Cb -0.09 -0.37 -0.04 0.00 0.00 0.00 0.00 17.79 17.29 2juw h ALA 62 CO -0.05 0.64 0.46 -0.22 0.00 0.00 0.00 179.25 180.08 2juw h LYS 63 N 1.26 1.18 -0.48 0.00 1.63 -0.78 -2.06 116.57 117.32 2juw h LYS 63 Ca 0.33 -0.14 -0.04 0.00 -0.85 0.00 0.00 60.65 59.95 2juw h LYS 63 Cb -0.07 -0.23 -0.02 0.00 -0.60 0.00 0.00 32.23 31.31 2juw h LYS 63 CO -0.06 0.87 0.14 0.00 -3.45 0.00 0.00 179.45 176.94 2juw h ALA 64 N 1.25 0.63 -0.21 5.00 0.00 -0.58 -1.54 119.26 123.81 2juw h ALA 64 Ca 0.30 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 2juw h ALA 64 Cb 0.03 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2juw h ALA 64 CO -0.05 0.30 0.04 -0.07 0.00 0.00 0.00 179.25 179.46 2juw h LEU 65 N 0.64 0.33 -1.41 0.00 3.38 -1.22 -2.56 115.31 114.49 2juw h LEU 65 Ca 0.15 -0.26 0.02 0.00 0.09 0.00 0.00 57.88 57.89 2juw h LEU 65 Cb 0.29 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 2juw h LEU 65 CO -0.00 0.51 0.41 0.00 0.09 0.00 0.00 178.44 179.45 2juw h ALA 66 N 0.84 1.61 -0.54 1.53 0.00 -1.29 0.14 119.26 121.55 2juw h ALA 66 Ca 0.06 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2juw h ALA 66 Cb 0.31 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 2juw h ALA 66 CO 0.00 0.34 0.31 0.37 0.00 0.00 0.00 179.25 180.28 2juw h GLN 67 N 0.79 0.75 -0.08 0.00 4.15 -1.00 0.22 115.11 119.95 2juw h GLN 67 Ca 0.24 -0.08 -0.04 0.00 0.77 0.00 0.00 58.65 59.54 2juw h GLN 67 Cb -0.01 -0.15 -0.00 0.00 0.21 0.00 0.00 27.48 27.53 2juw h GLN 67 CO -0.06 0.56 -0.11 1.03 -1.93 0.00 0.00 178.83 178.32 2juw h SER 68 N 0.73 0.23 -0.59 -0.69 0.87 -0.90 -3.04 113.55 110.16 2juw h SER 68 Ca 0.19 -0.52 0.06 0.00 -1.23 0.00 0.00 61.79 60.29 2juw h SER 68 Cb 0.02 -0.07 -0.05 0.00 -0.44 0.00 0.00 62.40 61.86 2juw h SER 68 CO -0.03 0.71 0.30 0.58 -0.53 0.00 0.00 176.83 177.85 2juw h VAL 69 N -0.24 0.94 -1.01 2.23 2.07 -0.64 -1.81 116.25 117.80 2juw h VAL 69 Ca 0.01 -0.20 0.02 0.00 0.82 0.00 0.00 66.70 67.35 2juw h VAL 69 Cb 0.65 0.32 -0.05 0.00 -1.52 0.00 0.00 31.29 30.69 2juw h VAL 69 CO 0.03 0.10 0.67 0.50 0.02 0.00 0.00 177.57 178.89 2juw h LYS 70 N 0.57 1.29 0.00 1.57 3.64 -1.00 -1.11 116.57 121.54 2juw h LYS 70 Ca 0.27 -0.08 -0.03 0.00 -1.27 0.00 0.00 60.65 59.54 2juw h LYS 70 Cb 0.19 -0.29 -0.00 0.00 -0.41 0.00 0.00 32.23 31.71 2juw h LYS 70 CO -0.19 0.86 -0.14 0.77 -2.27 0.00 0.00 179.45 178.48 2juw h SER 71 N 1.33 0.00 0.83 4.20 0.02 -1.22 0.73 113.55 119.44 2juw h SER 71 Ca 0.38 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 61.09 2juw h SER 71 Cb -0.09 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.43 2juw h SER 71 CO -0.10 0.14 -1.12 0.78 -1.14 0.00 0.00 176.83 175.39 2juw h ASN 72 N 0.00 0.18 0.01 3.07 -0.26 -0.70 -3.40 115.58 114.47 2juw h ASN 72 Ca -0.00 -0.19 -0.42 0.00 -0.56 0.00 0.00 56.30 55.13 2juw h ASN 72 Cb 0.54 -0.06 -0.06 0.00 -1.06 0.00 0.00 38.32 37.68 2juw h ASN 72 CO 0.02 1.15 -2.40 0.18 -1.06 0.00 0.00 177.43 175.32 2juw n LEU 73 N -3.42 2.26 -2.24 1.61 4.32 -0.94 -4.66 117.00 113.93 2juw n LEU 73 Ca -0.04 0.21 -0.18 0.00 -0.02 0.00 0.00 56.01 55.98 2juw n LEU 73 Cb 0.98 -0.87 -0.13 0.00 -1.62 0.00 0.00 43.42 41.77 2juw n LEU 73 CO 0.50 0.66 1.80 -0.62 -1.22 0.00 0.00 177.39 178.51 2juw n GLU 74 N -3.96 2.29 0.00 3.23 1.02 0.22 -3.86 120.64 119.57 2juw n GLU 74 Ca -0.49 -1.41 0.13 0.00 -0.02 0.00 0.00 57.16 55.37 2juw n GLU 74 Cb 0.91 -2.11 0.43 0.00 -0.02 0.00 0.00 31.44 30.64 2juw n GLU 74 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 2juw n HIS 75 N 2.29 0.00 -3.75 -0.32 -0.00 -1.26 -4.71 115.22 107.47 2juw n HIS 75 Ca 0.48 0.00 -0.37 0.00 0.46 0.00 0.00 57.72 58.29 2juw n HIS 75 Cb 0.78 -0.05 -0.12 0.00 -0.12 0.00 0.00 29.99 30.48 2juw n HIS 75 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2juw s HIS 76 N -2.22 3.42 0.03 1.57 3.76 -1.25 -4.84 115.29 115.76 2juw s HIS 76 Ca 0.31 -1.97 0.00 0.00 -0.15 0.00 0.00 55.06 53.25 2juw s HIS 76 Cb 0.20 -2.85 0.00 0.00 1.11 0.00 0.00 32.58 31.04 2juw s HIS 76 CO 0.42 -0.89 0.00 0.72 -0.85 0.00 0.00 174.74 174.14 2juw n HIS 77 N 4.71 -0.27 0.00 1.40 8.25 -1.26 -5.06 115.22 122.99 2juw n HIS 77 Ca -0.08 0.05 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 2juw n HIS 77 Cb 0.42 0.46 0.00 0.00 1.12 0.00 0.00 29.99 32.00 2juw n HIS 77 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2juw n HIS 78 N -2.61 0.00 -3.68 4.41 -0.00 -1.26 -4.48 115.22 107.60 2juw n HIS 78 Ca 0.00 0.00 -0.09 0.00 0.46 0.00 0.00 57.72 58.09 2juw n HIS 78 Cb 0.00 0.00 -0.10 0.00 -0.12 0.00 0.00 29.99 29.77 2juw n HIS 78 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2juw s HIS 79 N 0.00 -0.75 0.00 1.57 5.65 -1.26 -5.32 115.29 115.18 2juw s HIS 79 Ca 0.00 1.56 0.00 0.00 0.25 0.00 0.00 55.06 56.87 2juw s HIS 79 Cb 0.00 0.38 0.00 0.00 -1.18 0.00 0.00 32.58 31.78 2juw s HIS 79 CO 0.00 -0.40 0.06 0.72 -0.65 0.00 0.00 174.74 174.48