#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2juz s ALA 2 N 0.00 1.58 0.01 3.17 0.00 -1.26 -4.55 121.76 120.71 2juz s ALA 2 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 51.96 51.69 2juz s ALA 2 Cb 0.00 -4.38 0.00 0.00 0.00 0.00 0.00 23.12 18.74 2juz s ALA 2 CO 0.00 -4.60 0.00 1.04 0.00 0.00 0.00 175.76 172.20 2juz n GLN 3 N 9.01 0.00 -3.21 0.00 1.13 -1.26 -4.90 117.38 118.15 2juz n GLN 3 Ca 0.36 0.00 -0.35 0.00 -1.94 0.00 0.00 57.00 55.06 2juz n GLN 3 Cb 0.52 -0.45 -0.06 0.00 0.11 0.00 0.00 30.24 30.36 2juz n GLN 3 CO 0.00 0.00 0.00 -1.58 -1.44 0.00 0.00 177.06 174.04 2juz s HIS 4 N -2.00 3.61 -1.12 1.08 2.46 -1.26 -4.03 115.29 114.02 2juz s HIS 4 Ca 0.00 1.24 -0.02 0.00 0.47 0.00 0.00 55.06 56.75 2juz s HIS 4 Cb 0.00 -2.51 -0.02 0.00 -0.13 0.00 0.00 32.58 29.92 2juz s HIS 4 CO 0.00 0.35 0.95 0.43 -2.47 0.00 0.00 174.74 174.00 2juz n SER 5 N 0.65 -3.36 -3.20 9.88 7.64 -1.26 -4.85 113.62 119.12 2juz n SER 5 Ca -0.03 -0.63 -0.36 0.00 1.01 0.00 0.00 58.87 58.86 2juz n SER 5 Cb 0.52 -5.01 -0.04 0.00 -1.01 0.00 0.00 64.21 58.66 2juz n SER 5 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2juz n LYS 6 N -3.78 3.63 -3.50 1.43 3.00 -1.26 -4.38 118.16 113.31 2juz n LYS 6 Ca -0.22 -2.22 -0.21 0.00 -0.00 0.00 0.00 58.31 55.66 2juz n LYS 6 Cb 0.65 -2.70 0.08 0.00 0.00 0.00 0.00 35.03 33.06 2juz n LYS 6 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 2juz n TYR 7 N 3.25 -2.59 -1.62 5.64 4.01 -1.26 -4.89 117.16 119.70 2juz n TYR 7 Ca 0.74 0.95 -0.43 0.00 -0.16 0.00 0.00 57.90 59.00 2juz n TYR 7 Cb 0.30 -4.89 -0.03 0.00 -0.31 0.00 0.00 39.34 34.41 2juz n TYR 7 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 2juz n SER 8 N -2.87 3.56 0.14 7.72 3.41 -1.26 -4.79 113.62 119.52 2juz n SER 8 Ca -0.07 0.43 0.11 0.00 -0.26 0.00 0.00 58.87 59.08 2juz n SER 8 Cb 0.58 -1.55 0.52 0.00 -0.26 0.00 0.00 64.21 63.51 2juz n SER 8 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2juz n ASP 9 N 10.33 0.55 -0.02 4.04 5.75 -1.26 -0.01 116.55 135.93 2juz n ASP 9 Ca 0.27 0.72 -0.16 0.00 -0.01 0.00 0.00 54.79 55.60 2juz n ASP 9 Cb 0.43 -0.80 -0.11 0.00 -1.03 0.00 0.00 41.12 39.62 2juz n ASP 9 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2juz h ALA 10 N 2.09 0.08 0.03 2.12 0.00 -1.99 -1.88 119.26 119.71 2juz h ALA 10 Ca 0.00 -0.49 -0.22 0.00 0.00 0.00 0.00 54.91 54.19 2juz h ALA 10 Cb 0.11 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 2juz h ALA 10 CO 0.00 0.21 -0.98 1.96 0.00 0.00 0.00 179.25 180.45 2juz h GLN 11 N -0.24 0.29 1.00 0.00 4.20 -1.49 -2.44 115.11 116.42 2juz h GLN 11 Ca -0.04 -0.34 -0.05 0.00 0.06 0.00 0.00 58.65 58.28 2juz h GLN 11 Cb 1.10 0.11 0.01 0.00 0.30 0.00 0.00 27.48 28.99 2juz h GLN 11 CO 0.08 1.06 -0.48 1.25 -0.67 0.00 0.00 178.83 180.08 2juz h LEU 12 N 0.15 -1.13 -1.77 1.46 5.85 -0.52 -2.46 115.31 116.89 2juz h LEU 12 Ca -0.07 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.70 2juz h LEU 12 Cb 1.63 0.29 -0.01 0.00 0.37 0.00 0.00 40.66 42.94 2juz h LEU 12 CO 0.16 -0.81 0.17 0.28 -0.34 0.00 0.00 178.44 177.90 2juz h SER 13 N -1.35 0.26 -0.46 1.25 0.02 -1.42 -0.79 113.55 111.07 2juz h SER 13 Ca -0.14 -0.01 0.02 0.00 -0.84 0.00 0.00 61.79 60.83 2juz h SER 13 Cb 1.03 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 63.47 2juz h SER 13 CO 0.22 0.19 0.27 0.00 -1.14 0.00 0.00 176.83 176.37 2juz h ALA 14 N 1.84 0.59 -0.13 3.77 0.00 -1.31 0.12 119.26 124.13 2juz h ALA 14 Ca 0.10 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 2juz h ALA 14 Cb 0.02 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 2juz h ALA 14 CO -0.02 -0.04 0.01 0.82 0.00 0.00 0.00 179.25 180.02 2juz h ILE 15 N 0.54 1.24 0.00 0.00 2.04 -0.68 -2.46 117.51 118.19 2juz h ILE 15 Ca 0.19 -0.76 -0.02 0.00 1.00 0.00 0.00 64.86 65.26 2juz h ILE 15 Cb 0.02 1.49 -0.00 0.00 -0.74 0.00 0.00 36.82 37.59 2juz h ILE 15 CO -0.09 0.22 -0.11 0.58 0.00 0.00 0.00 178.15 178.75 2juz h VAL 16 N -0.02 0.45 0.06 1.67 2.07 -1.25 -1.37 116.25 117.86 2juz h VAL 16 Ca 0.04 -0.59 -0.00 0.00 0.82 0.00 0.00 66.70 66.97 2juz h VAL 16 Cb 0.33 1.41 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 2juz h VAL 16 CO 0.00 0.11 -0.03 -1.13 0.02 0.00 0.00 177.57 176.55 2juz h ASN 17 N 0.00 -0.07 1.42 0.57 -0.73 -0.37 -2.49 115.58 113.90 2juz h ASN 17 Ca -0.00 -0.28 -0.04 0.00 1.87 0.00 0.00 56.30 57.85 2juz h ASN 17 Cb 0.40 0.02 -0.01 0.00 0.27 0.00 0.00 38.32 39.00 2juz h ASN 17 CO 0.01 0.25 -0.17 -2.24 -0.37 0.00 0.00 177.43 174.91 2juz h ASP 18 N -0.39 0.00 -0.71 1.15 3.04 -1.12 -1.96 116.42 116.42 2juz h ASP 18 Ca -0.01 0.00 0.06 0.00 -3.24 0.00 0.00 57.03 53.84 2juz h ASP 18 Cb 0.35 0.00 -0.06 0.00 -1.04 0.00 0.00 39.33 38.58 2juz h ASP 18 CO 0.01 0.17 0.41 0.24 -2.04 0.00 0.00 179.24 178.04 2juz h MET 19 N 0.00 0.73 -0.56 4.15 2.86 -1.18 0.42 114.93 121.36 2juz h MET 19 Ca -0.00 -0.04 0.02 0.00 -2.06 0.00 0.00 59.70 57.61 2juz h MET 19 Cb 0.93 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 32.39 2juz h MET 19 CO 0.02 0.49 0.35 0.82 1.06 0.00 0.00 176.91 179.65 2juz h ILE 20 N 0.76 1.09 -0.75 -1.22 1.08 -0.90 -0.49 117.51 117.08 2juz h ILE 20 Ca 0.31 -0.24 -0.01 0.00 -0.39 0.00 0.00 64.86 64.54 2juz h ILE 20 Cb 0.17 0.33 -0.04 0.00 -3.07 0.00 0.00 36.82 34.22 2juz h ILE 20 CO -0.18 0.13 0.44 0.00 -0.69 0.00 0.00 178.15 177.85 2juz h ALA 21 N 1.23 1.37 -0.76 1.87 0.00 -0.95 -1.55 119.26 120.46 2juz h ALA 21 Ca 0.22 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 2juz h ALA 21 Cb -0.01 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.44 2juz h ALA 21 CO -0.08 0.54 0.41 0.28 0.00 0.00 0.00 179.25 180.40 2juz h VAL 22 N 1.03 1.23 -0.73 0.00 2.07 0.63 -0.87 116.25 119.61 2juz h VAL 22 Ca 0.27 -0.60 -0.04 0.00 0.82 0.00 0.00 66.70 67.15 2juz h VAL 22 Cb -0.02 0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 29.94 2juz h VAL 22 CO -0.05 0.26 0.30 -0.07 0.02 0.00 0.00 177.57 178.03 2juz h LEU 23 N 1.06 0.98 -0.76 2.57 3.38 -0.37 -2.08 115.31 120.10 2juz h LEU 23 Ca 0.27 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 2juz h LEU 23 Cb 0.05 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.54 2juz h LEU 23 CO -0.04 0.87 -0.14 -0.33 0.09 0.00 0.00 178.44 178.88 2juz h GLU 24 N 1.05 0.00 0.00 1.13 4.39 -0.88 0.42 114.58 120.70 2juz h GLU 24 Ca 0.25 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.86 2juz h GLU 24 Cb 0.18 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.82 2juz h GLU 24 CO -0.02 0.14 -0.39 0.87 -1.16 0.00 0.00 179.01 178.45 2juz h LYS 25 N 0.00 0.00 0.00 2.33 1.57 -0.47 -3.35 116.57 116.65 2juz h LYS 25 Ca -0.00 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.59 2juz h LYS 25 Cb 0.84 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.11 2juz h LYS 25 CO 0.02 0.39 -1.69 0.72 -0.57 0.00 0.00 179.45 178.31 2juz n HIS 26 N -3.35 0.00 -3.13 -1.35 8.25 -1.03 -5.08 115.22 109.53 2juz n HIS 26 Ca 0.01 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.30 2juz n HIS 26 Cb 0.59 -0.49 0.02 0.00 1.12 0.00 0.00 29.99 31.23 2juz n HIS 26 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2juz n LYS 27 N -2.55 -2.07 -3.96 -0.41 5.02 0.15 -5.02 118.16 109.32 2juz n LYS 27 Ca -0.18 1.76 -0.32 0.00 -2.02 0.00 0.00 58.31 57.55 2juz n LYS 27 Cb 0.79 -4.43 -0.05 0.00 -0.02 0.00 0.00 35.03 31.32 2juz n LYS 27 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2juz s ALA 28 N -2.36 3.87 0.00 7.82 0.00 -1.26 -4.99 121.76 124.84 2juz s ALA 28 Ca 0.24 -0.86 -0.01 0.00 0.00 0.00 0.00 51.96 51.33 2juz s ALA 28 Cb -0.05 -1.74 -0.06 0.00 0.00 0.00 0.00 23.12 21.27 2juz s ALA 28 CO 0.81 0.78 1.74 -0.35 0.00 0.00 0.00 175.76 178.74 2juz n PRO 29 N 0.55 0.88 0.00 0.00 -0.04 -1.26 -4.77 135.00 130.36 2juz n PRO 29 Ca -0.08 -0.22 0.00 0.00 -0.04 0.00 0.00 63.50 63.16 2juz n PRO 29 Cb 0.52 -1.39 0.00 0.00 -0.04 0.00 0.00 33.50 32.59 2juz n PRO 29 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2juz n VAL 30 N 2.00 0.00 0.25 0.52 0.31 -1.26 -4.44 118.33 115.71 2juz n VAL 30 Ca 0.09 0.00 -0.16 0.00 -0.01 0.00 0.00 64.34 64.27 2juz n VAL 30 Cb 0.42 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 33.27 2juz n VAL 30 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 2juz h ASP 31 N 0.00 -0.51 -0.27 4.52 3.58 -2.00 -0.80 116.42 120.94 2juz h ASP 31 Ca 0.00 -0.01 0.03 0.00 0.42 0.00 0.00 57.03 57.47 2juz h ASP 31 Cb 0.00 0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.17 2juz h ASP 31 CO 0.00 -0.33 0.18 -0.07 -2.88 0.00 0.00 179.24 176.15 2juz h LEU 32 N -0.65 0.23 -0.61 2.28 3.38 -1.91 -1.12 115.31 116.90 2juz h LEU 32 Ca -0.06 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 2juz h LEU 32 Cb 0.49 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 2juz h LEU 32 CO 0.10 0.16 0.19 0.28 0.09 0.00 0.00 178.44 179.26 2juz h SER 33 N 0.27 0.88 0.48 -0.43 0.02 -1.68 -1.01 113.55 112.07 2juz h SER 33 Ca 0.11 -0.21 -0.11 0.00 -0.84 0.00 0.00 61.79 60.74 2juz h SER 33 Cb 0.12 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.41 2juz h SER 33 CO -0.02 0.85 -0.52 -0.07 -1.14 0.00 0.00 176.83 175.93 2juz h LEU 34 N 0.86 0.05 -0.44 5.07 3.38 -0.09 -2.20 115.31 121.95 2juz h LEU 34 Ca 0.20 -0.03 -0.13 0.00 0.09 0.00 0.00 57.88 58.01 2juz h LEU 34 Cb 0.29 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 2juz h LEU 34 CO -0.01 0.57 -0.25 0.40 0.09 0.00 0.00 178.44 179.25 2juz h ILE 35 N 0.04 1.27 -0.61 1.22 2.04 -0.80 0.36 117.51 121.03 2juz h ILE 35 Ca -0.00 -1.41 0.00 0.00 1.00 0.00 0.00 64.86 64.45 2juz h ILE 35 Cb 0.94 1.22 -0.03 0.00 -0.74 0.00 0.00 36.82 38.21 2juz h ILE 35 CO 0.07 0.48 0.39 0.00 0.00 0.00 0.00 178.15 179.09 2juz h ALA 36 N 0.83 0.78 -0.61 1.87 0.00 -1.01 0.89 119.26 122.01 2juz h ALA 36 Ca 0.09 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 2juz h ALA 36 Cb 0.82 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 2juz h ALA 36 CO 0.07 0.23 0.00 1.25 0.00 0.00 0.00 179.25 180.81 2juz h LEU 37 N 0.83 1.04 -0.59 0.00 5.85 -1.19 -1.80 115.31 119.44 2juz h LEU 37 Ca 0.22 -0.29 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 2juz h LEU 37 Cb -0.06 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.66 2juz h LEU 37 CO -0.04 1.09 0.32 1.23 -0.34 0.00 0.00 178.44 180.70 2juz h GLY 38 N 1.00 0.89 1.01 3.75 0.00 0.23 0.36 103.07 110.31 2juz h GLY 38 Ca 0.17 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 47.10 2juz h GLY 38 CO 0.03 0.39 0.48 3.43 0.00 0.00 0.00 176.54 180.86 2juz h ASN 39 N 0.80 0.85 -0.15 0.19 2.35 -0.68 -0.28 115.58 118.67 2juz h ASN 39 Ca 0.21 -0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.92 2juz h ASN 39 Cb 0.05 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.20 2juz h ASN 39 CO -0.03 0.63 0.05 -0.03 -1.65 0.00 0.00 177.43 176.39 2juz h MET 40 N 1.00 0.23 -0.13 0.81 4.05 -0.80 -1.23 114.93 118.86 2juz h MET 40 Ca 0.27 -0.05 0.04 0.00 -0.28 0.00 0.00 59.70 59.68 2juz h MET 40 Cb -0.10 -0.03 -0.04 0.00 -0.80 0.00 0.00 31.60 30.63 2juz h MET 40 CO -0.06 0.35 -0.12 0.00 0.23 0.00 0.00 176.91 177.31 2juz h ALA 41 N 0.87 -0.02 -0.49 0.39 0.00 -0.02 -0.20 119.26 119.80 2juz h ALA 41 Ca 0.05 0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.03 2juz h ALA 41 Cb 0.21 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 2juz h ALA 41 CO -0.00 -0.57 0.30 0.77 0.00 0.00 0.00 179.25 179.75 2juz h SER 42 N -0.14 0.49 0.55 0.00 0.02 -1.00 -1.76 113.55 111.71 2juz h SER 42 Ca 0.09 -0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.01 2juz h SER 42 Cb 0.27 -0.11 0.01 0.00 0.14 0.00 0.00 62.40 62.71 2juz h SER 42 CO -0.22 0.35 -0.26 -1.13 -1.14 0.00 0.00 176.83 174.43 2juz h ASN 43 N 0.60 -0.63 -0.93 3.07 -1.24 -0.78 -2.20 115.58 113.47 2juz h ASN 43 Ca 0.19 0.01 -0.01 0.00 0.71 0.00 0.00 56.30 57.21 2juz h ASN 43 Cb -0.00 0.16 -0.04 0.00 0.73 0.00 0.00 38.32 39.16 2juz h ASN 43 CO -0.08 -0.44 0.54 -0.07 -1.29 0.00 0.00 177.43 176.10 2juz h LEU 44 N -0.75 1.13 -1.05 0.34 -0.00 -0.94 -2.29 115.31 111.75 2juz h LEU 44 Ca -0.08 -0.08 -0.10 0.00 -0.00 0.00 0.00 57.88 57.63 2juz h LEU 44 Cb 0.57 -0.29 -0.01 0.00 -0.00 0.00 0.00 40.66 40.93 2juz h LEU 44 CO 0.12 0.88 -0.47 -0.07 -0.00 0.00 0.00 178.44 178.91 2juz h LEU 45 N 1.29 0.02 -1.61 1.67 3.38 -1.27 0.12 115.31 118.92 2juz h LEU 45 Ca 0.33 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.29 2juz h LEU 45 Cb -0.03 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.72 2juz h LEU 45 CO -0.06 0.48 0.00 0.35 0.09 0.00 0.00 178.44 179.30 2juz n THR 46 N -3.98 0.33 0.00 0.22 -2.24 -0.84 -4.10 114.28 103.67 2juz n THR 46 Ca -0.02 -0.51 0.00 0.00 -2.27 0.00 0.00 64.05 61.25 2juz n THR 46 Cb 0.49 0.63 0.00 0.00 -2.10 0.00 0.00 70.33 69.35 2juz n THR 46 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2juz n THR 47 N 0.81 0.00 0.00 4.28 -2.24 -0.91 -4.87 114.28 111.36 2juz n THR 47 Ca 0.17 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.75 2juz n THR 47 Cb 0.44 -0.95 -0.14 0.00 -2.10 0.00 0.00 70.33 67.58 2juz n THR 47 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2juz h SER 48 N 0.00 0.34 -1.84 3.42 0.02 -0.98 -3.47 113.55 111.04 2juz h SER 48 Ca 0.00 -0.87 -0.46 0.00 -0.84 0.00 0.00 61.79 59.62 2juz h SER 48 Cb 0.66 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.08 2juz h SER 48 CO 0.00 1.49 -0.38 0.68 -1.14 0.00 0.00 176.83 177.48 2juz s VAL 49 N -2.43 4.00 0.13 2.27 -7.23 -1.24 -5.05 120.40 110.85 2juz s VAL 49 Ca -0.19 -1.11 -0.33 0.00 -1.81 0.00 0.00 61.98 58.55 2juz s VAL 49 Cb 0.03 -3.37 -0.12 0.00 0.56 0.00 0.00 36.38 33.47 2juz s VAL 49 CO 0.76 -0.18 1.71 -2.65 -0.31 0.00 0.00 175.10 174.44 2juz n PRO 50 N -1.54 2.46 -0.20 4.82 -0.02 -1.26 -4.66 135.00 134.59 2juz n PRO 50 Ca -0.01 0.89 0.00 0.00 -2.02 0.00 0.00 63.50 62.36 2juz n PRO 50 Cb 0.58 -2.72 0.24 0.00 -0.02 0.00 0.00 33.50 31.59 2juz n PRO 50 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 2juz h GLN 51 N 7.16 0.97 0.00 -0.52 7.50 -1.90 0.16 115.11 128.49 2juz h GLN 51 Ca -0.45 -0.07 0.00 0.00 0.50 0.00 0.00 58.65 58.63 2juz h GLN 51 Cb 1.24 -0.21 0.00 0.00 0.05 0.00 0.00 27.48 28.55 2juz h GLN 51 CO 0.93 0.66 0.00 -2.37 -1.50 0.00 0.00 178.83 176.55 2juz n THR 52 N -4.41 0.67 -0.07 -0.54 5.66 -1.26 -3.33 114.28 111.01 2juz n THR 52 Ca 0.08 -0.03 -0.04 0.00 -3.05 0.00 0.00 64.05 61.01 2juz n THR 52 Cb 0.05 -0.84 -0.14 0.00 -1.55 0.00 0.00 70.33 67.85 2juz n THR 52 CO 0.00 0.00 0.00 1.67 -3.05 0.00 0.00 175.07 173.69 2juz n GLN 53 N -2.16 0.94 0.24 1.09 -0.06 -0.13 -4.43 117.38 112.87 2juz n GLN 53 Ca 0.04 -0.06 0.07 0.00 -2.00 0.00 0.00 57.00 55.05 2juz n GLN 53 Cb 0.33 -1.46 0.58 0.00 -4.06 0.00 0.00 30.24 25.63 2juz n GLN 53 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2juz h GLU 55 N 0.00 0.76 -0.23 0.00 5.08 -1.78 0.33 114.58 118.75 2juz h GLU 55 Ca -0.00 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.23 2juz h GLU 55 Cb 0.17 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 2juz h GLU 55 CO 0.01 0.50 -0.18 0.00 -1.00 0.00 0.00 179.01 178.35 2juz h ALA 56 N 1.27 0.33 -0.24 3.43 0.00 -1.63 -1.80 119.26 120.62 2juz h ALA 56 Ca 0.25 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 2juz h ALA 56 Cb 0.01 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2juz h ALA 56 CO -0.10 0.24 0.08 -0.07 0.00 0.00 0.00 179.25 179.41 2juz h LEU 57 N 0.22 0.34 -0.51 0.00 -0.00 -1.11 0.10 115.31 114.35 2juz h LEU 57 Ca 0.04 -0.19 -0.03 0.00 -0.00 0.00 0.00 57.88 57.71 2juz h LEU 57 Cb 0.71 -0.09 -0.02 0.00 -0.00 0.00 0.00 40.66 41.26 2juz h LEU 57 CO 0.05 0.43 0.21 0.00 -0.00 0.00 0.00 178.44 179.13 2juz h ALA 58 N 0.92 0.66 -0.36 1.53 0.00 -0.38 0.23 119.26 121.87 2juz h ALA 58 Ca 0.08 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 2juz h ALA 58 Cb 0.21 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2juz h ALA 58 CO -0.00 0.26 0.09 0.37 0.00 0.00 0.00 179.25 179.97 2juz h GLN 59 N 0.68 0.57 -0.52 0.00 4.15 -1.20 -0.10 115.11 118.70 2juz h GLN 59 Ca 0.17 -0.14 -0.04 0.00 0.77 0.00 0.00 58.65 59.42 2juz h GLN 59 Cb 0.18 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 27.78 2juz h GLN 59 CO -0.02 0.62 0.18 0.00 -1.93 0.00 0.00 178.83 177.68 2juz h ALA 60 N 0.93 0.68 -0.44 3.38 0.00 -0.58 0.37 119.26 123.60 2juz h ALA 60 Ca 0.11 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 2juz h ALA 60 Cb 0.30 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2juz h ALA 60 CO 0.00 0.31 0.26 0.35 0.00 0.00 0.00 179.25 180.18 2juz h PHE 61 N 0.70 0.58 -0.24 0.00 3.57 -0.36 0.20 116.94 121.39 2juz h PHE 61 Ca 0.17 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.65 2juz h PHE 61 Cb 0.24 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.78 2juz h PHE 61 CO 0.01 0.41 0.07 0.77 -2.23 0.00 0.00 178.31 177.34 2juz h SER 62 N 0.58 0.35 -0.26 0.41 0.02 -0.79 0.42 113.55 114.28 2juz h SER 62 Ca 0.16 -0.22 -0.02 0.00 -0.84 0.00 0.00 61.79 60.87 2juz h SER 62 Cb -0.00 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.43 2juz h SER 62 CO -0.03 0.48 0.10 0.78 -1.14 0.00 0.00 176.83 177.02 2juz h ASN 63 N 0.21 0.43 -0.14 3.07 2.35 -0.72 0.18 115.58 120.95 2juz h ASN 63 Ca 0.08 -0.05 -0.10 0.00 -0.55 0.00 0.00 56.30 55.68 2juz h ASN 63 Cb 0.26 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.50 2juz h ASN 63 CO -0.00 0.42 -0.23 -1.28 -1.65 0.00 0.00 177.43 174.69 2juz h SER 64 N 0.47 0.58 -0.26 5.81 0.87 -0.15 -1.39 113.55 119.48 2juz h SER 64 Ca 0.11 -0.20 -0.11 0.00 -1.23 0.00 0.00 61.79 60.37 2juz h SER 64 Cb 0.15 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 61.94 2juz h SER 64 CO -0.01 0.80 -0.20 -0.07 -0.53 0.00 0.00 176.83 176.83 2juz h LEU 65 N 0.51 0.72 -0.58 2.23 3.38 0.60 -0.53 115.31 121.64 2juz h LEU 65 Ca 0.08 -0.24 0.03 0.00 0.09 0.00 0.00 57.88 57.84 2juz h LEU 65 Cb 0.67 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.19 2juz h LEU 65 CO 0.05 0.91 0.34 0.40 0.09 0.00 0.00 178.44 180.23 2juz h ILE 66 N 0.63 1.04 -0.61 1.22 1.08 -0.18 0.42 117.51 121.11 2juz h ILE 66 Ca 0.09 -0.23 -0.04 0.00 -0.39 0.00 0.00 64.86 64.30 2juz h ILE 66 Cb 0.68 0.32 -0.03 0.00 -3.07 0.00 0.00 36.82 34.72 2juz h ILE 66 CO 0.05 0.12 0.22 -1.13 -0.69 0.00 0.00 178.15 176.72 2juz h ASN 67 N 0.66 0.82 -0.58 1.72 -1.24 -0.96 -1.18 115.58 114.82 2juz h ASN 67 Ca 0.24 -0.12 -0.09 0.00 0.71 0.00 0.00 56.30 57.04 2juz h ASN 67 Cb 0.06 -0.21 -0.02 0.00 0.73 0.00 0.00 38.32 38.88 2juz h ASN 67 CO -0.12 0.75 0.02 0.00 -1.29 0.00 0.00 177.43 176.79 2juz h ALA 68 N 1.36 0.79 -0.41 1.57 0.00 0.05 -1.51 119.26 121.12 2juz h ALA 68 Ca 0.20 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.83 2juz h ALA 68 Cb 0.21 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 2juz h ALA 68 CO -0.01 0.61 0.25 0.28 0.00 0.00 0.00 179.25 180.37 2juz h VAL 69 N 0.91 1.06 -0.55 0.00 2.07 0.26 0.24 116.25 120.24 2juz h VAL 69 Ca 0.17 -0.17 0.08 0.00 0.82 0.00 0.00 66.70 67.59 2juz h VAL 69 Cb 0.53 0.51 -0.06 0.00 -1.52 0.00 0.00 31.29 30.75 2juz h VAL 69 CO 0.03 0.09 0.21 0.11 0.02 0.00 0.00 177.57 178.03 2juz h LYS 70 N 0.50 0.38 0.00 1.57 1.57 -1.01 0.72 116.57 120.30 2juz h LYS 70 Ca 0.16 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.86 2juz h LYS 70 Cb -0.01 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 2juz h LYS 70 CO -0.07 0.25 -0.25 1.15 -0.57 0.00 0.00 179.45 179.96 2juz h THR 71 N 0.39 0.87 -0.11 -0.16 2.02 -0.54 0.54 112.91 115.92 2juz h THR 71 Ca 0.27 -0.99 -0.20 0.00 0.77 0.00 0.00 66.41 66.26 2juz h THR 71 Cb 0.29 1.59 0.01 0.00 -1.74 0.00 0.00 68.15 68.30 2juz h THR 71 CO -0.26 0.25 -0.70 0.03 0.37 0.00 0.00 175.52 175.20 2juz h ARG 72 N 0.00 0.67 -0.45 6.66 2.47 0.91 0.20 114.38 124.84 2juz h ARG 72 Ca -0.00 -0.58 -0.14 0.00 -1.26 0.00 0.00 59.98 58.00 2juz h ARG 72 Cb 0.57 0.13 -0.01 0.00 -1.65 0.00 0.00 29.97 29.01 2juz h ARG 72 CO 0.03 1.19 -0.26 -0.07 0.56 0.00 0.00 179.97 181.42 2juz h LEU 73 N 0.34 1.01 0.13 3.04 4.07 -0.48 -2.81 115.31 120.63 2juz h LEU 73 Ca -0.06 -0.42 -0.01 0.00 0.08 0.00 0.00 57.88 57.48 2juz h LEU 73 Cb 1.35 -0.28 0.00 0.00 1.08 0.00 0.00 40.66 42.81 2juz h LEU 73 CO 0.14 1.21 -0.06 -0.33 -1.08 0.00 0.00 178.44 178.32 2juz h GLU 74 N 0.82 -0.17 -3.60 1.13 4.39 -0.95 -3.36 114.58 112.83 2juz h GLU 74 Ca 0.10 0.01 -0.75 0.00 0.34 0.00 0.00 59.36 59.06 2juz h GLU 74 Cb 0.85 0.04 -0.13 0.00 -0.10 0.00 0.00 28.75 29.40 2juz h GLU 74 CO 0.07 -0.12 2.24 1.58 -1.16 0.00 0.00 179.01 181.62 2juz n HIS 75 N -2.88 3.05 -2.85 4.33 -0.00 0.70 -4.97 115.22 112.60 2juz n HIS 75 Ca -0.02 -2.82 -0.34 0.00 0.46 0.00 0.00 57.72 54.99 2juz n HIS 75 Cb 0.07 -2.06 -0.07 0.00 -0.12 0.00 0.00 29.99 27.81 2juz n HIS 75 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 2juz s HIS 76 N 0.91 3.43 -1.60 1.57 -3.43 -1.06 -4.55 115.29 110.55 2juz s HIS 76 Ca 0.41 1.61 0.00 0.00 -0.80 0.00 0.00 55.06 56.28 2juz s HIS 76 Cb 0.10 -2.83 0.00 0.00 -1.43 0.00 0.00 32.58 28.42 2juz s HIS 76 CO -0.01 0.01 0.71 1.58 -2.00 0.00 0.00 174.74 175.02 2juz n HIS 77 N -0.26 0.00 0.00 0.38 -0.00 -1.26 -4.88 115.22 109.20 2juz n HIS 77 Ca 0.05 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.23 2juz n HIS 77 Cb 0.53 -0.04 0.00 0.00 -0.12 0.00 0.00 29.99 30.36 2juz n HIS 77 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2juz n HIS 78 N -0.28 0.00 -3.21 1.57 -0.00 -1.26 -4.73 115.22 107.31 2juz n HIS 78 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 57.72 57.57 2juz n HIS 78 Cb 0.09 0.00 0.04 0.00 -0.00 0.00 0.00 29.99 30.11 2juz n HIS 78 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2juz n HIS 79 N 0.00 -2.09 -1.10 4.41 8.25 -1.26 -5.30 115.22 118.13 2juz n HIS 79 Ca 0.00 -1.55 0.00 0.00 -0.26 0.00 0.00 57.72 55.91 2juz n HIS 79 Cb 0.00 -0.38 0.00 0.00 1.12 0.00 0.00 29.99 30.73 2juz n HIS 79 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59