#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 3.26 -1.28 3.04 0.00 -1.26 -4.93 121.76 120.60 2juz s ALA 2 Ca 0.00 -2.51 -0.09 0.00 0.00 0.00 0.00 51.96 49.35 2juz s ALA 2 Cb 0.00 -4.03 0.17 0.00 0.00 0.00 0.00 23.12 19.25 2juz s ALA 2 CO 0.00 -2.97 1.88 1.04 0.00 0.00 0.00 175.76 175.71 2juz n GLN 3 N 6.97 3.61 -1.80 0.00 6.02 -1.26 -4.38 117.38 126.54 2juz n GLN 3 Ca 0.18 -3.52 -0.17 0.00 -0.01 0.00 0.00 57.00 53.48 2juz n GLN 3 Cb 0.48 -2.93 -0.05 0.00 1.02 0.00 0.00 30.24 28.76 2juz n GLN 3 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 2juz n HIS 4 N 3.89 -0.30 -1.79 1.08 8.25 -1.26 -4.89 115.22 120.21 2juz n HIS 4 Ca 0.40 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.44 2juz n HIS 4 Cb 0.36 -3.14 -0.00 0.00 1.12 0.00 0.00 29.99 28.33 2juz n HIS 4 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 2juz n SER 5 N -0.97 3.91 -0.05 0.41 3.41 -1.26 -4.27 113.62 114.80 2juz n SER 5 Ca -0.18 -2.84 -0.06 0.00 -0.26 0.00 0.00 58.87 55.52 2juz n SER 5 Cb 0.60 -1.65 -0.05 0.00 -0.26 0.00 0.00 64.21 62.85 2juz n SER 5 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2juz n LYS 6 N 6.36 1.03 -3.46 4.33 5.02 -1.26 -4.94 118.16 125.24 2juz n LYS 6 Ca 0.52 0.04 -0.28 0.00 -2.02 0.00 0.00 58.31 56.56 2juz n LYS 6 Cb 0.40 -1.21 -0.12 0.00 -0.02 0.00 0.00 35.03 34.08 2juz n LYS 6 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 2juz s TYR 7 N -2.20 0.62 -0.05 2.13 1.51 -1.26 -5.01 117.35 113.08 2juz s TYR 7 Ca -0.11 -1.53 0.03 0.00 -1.01 0.00 0.00 57.07 54.45 2juz s TYR 7 Cb 0.03 -0.87 0.01 0.00 -0.11 0.00 0.00 41.96 41.02 2juz s TYR 7 CO 0.27 -0.84 -0.14 -1.12 -1.11 0.00 0.00 175.55 172.61 2juz s SER 8 N 1.14 1.85 0.48 2.29 0.01 -1.26 -5.00 113.70 113.20 2juz s SER 8 Ca 0.18 -0.31 0.19 0.00 1.31 0.00 0.00 55.95 57.32 2juz s SER 8 Cb -0.22 -0.69 1.20 0.00 0.21 0.00 0.00 66.02 66.51 2juz s SER 8 CO -0.01 0.08 1.98 0.44 0.41 0.00 0.00 173.24 176.14 2juz h ASP 9 N 6.63 0.21 0.18 2.44 5.19 -1.98 0.41 116.42 129.50 2juz h ASP 9 Ca -0.31 0.01 -0.19 0.00 -0.62 0.00 0.00 57.03 55.91 2juz h ASP 9 Cb 1.18 -0.03 -0.00 0.00 0.18 0.00 0.00 39.33 40.66 2juz h ASP 9 CO 0.48 0.12 -0.74 0.00 -3.12 0.00 0.00 179.24 175.97 2juz h ALA 10 N 1.71 0.54 -0.19 3.45 0.00 -1.99 -1.46 119.26 121.32 2juz h ALA 10 Ca 0.28 -0.61 -0.12 0.00 0.00 0.00 0.00 54.91 54.47 2juz h ALA 10 Cb 0.79 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2juz h ALA 10 CO -0.05 0.75 -0.34 0.37 0.00 0.00 0.00 179.25 179.97 2juz h GLN 11 N 0.33 0.56 0.58 0.00 4.15 -1.20 -2.56 115.11 116.96 2juz h GLN 11 Ca -0.04 -0.35 -0.03 0.00 0.77 0.00 0.00 58.65 59.00 2juz h GLN 11 Cb 1.33 0.04 0.01 0.00 0.21 0.00 0.00 27.48 29.06 2juz h GLN 11 CO 0.13 0.96 -0.28 1.25 -1.93 0.00 0.00 178.83 178.97 2juz h LEU 12 N 0.22 -0.65 -1.38 -2.39 5.85 -0.32 -2.62 115.31 114.01 2juz h LEU 12 Ca 0.01 -0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.79 2juz h LEU 12 Cb 0.93 0.17 -0.05 0.00 0.37 0.00 0.00 40.66 42.09 2juz h LEU 12 CO 0.08 -0.40 0.48 0.77 -0.34 0.00 0.00 178.44 179.03 2juz h SER 13 N -0.87 0.66 -0.34 1.25 4.64 -1.33 -0.15 113.55 117.39 2juz h SER 13 Ca -0.08 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 2juz h SER 13 Cb 0.63 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 62.57 2juz h SER 13 CO 0.13 0.42 0.22 0.00 -0.87 0.00 0.00 176.83 176.73 2juz h ALA 14 N 1.61 0.44 -0.42 5.18 0.00 -1.38 0.45 119.26 125.14 2juz h ALA 14 Ca 0.32 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.16 2juz h ALA 14 Cb 0.30 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2juz h ALA 14 CO -0.11 -0.09 0.11 0.82 0.00 0.00 0.00 179.25 179.98 2juz h ILE 15 N 0.46 1.23 -0.32 0.00 2.04 -0.69 -0.43 117.51 119.80 2juz h ILE 15 Ca 0.13 -0.78 -0.13 0.00 1.00 0.00 0.00 64.86 65.07 2juz h ILE 15 Cb -0.03 0.93 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 2juz h ILE 15 CO -0.03 0.28 -0.34 0.58 0.00 0.00 0.00 178.15 178.64 2juz h VAL 16 N 0.55 1.28 0.00 1.67 2.07 -1.08 -2.44 116.25 118.30 2juz h VAL 16 Ca 0.13 -1.49 -0.10 0.00 0.82 0.00 0.00 66.70 66.06 2juz h VAL 16 Cb 0.30 1.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 2juz h VAL 16 CO 0.00 0.49 -0.49 0.78 0.02 0.00 0.00 177.57 178.37 2juz h ASN 17 N 0.60 0.00 -0.25 0.57 2.35 -0.74 -2.53 115.58 115.58 2juz h ASN 17 Ca 0.06 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.80 2juz h ASN 17 Cb 0.87 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.23 2juz h ASN 17 CO 0.08 0.49 0.13 0.44 -1.65 0.00 0.00 177.43 176.91 2juz h ASP 18 N 0.00 0.32 -0.79 5.81 3.32 -0.76 0.79 116.42 125.12 2juz h ASP 18 Ca -0.00 -0.11 0.11 0.00 0.02 0.00 0.00 57.03 57.05 2juz h ASP 18 Cb 0.88 -0.08 -0.08 0.00 0.22 0.00 0.00 39.33 40.27 2juz h ASP 18 CO 0.06 0.34 0.41 0.24 -1.72 0.00 0.00 179.24 178.58 2juz h MET 19 N 0.28 0.64 -0.14 3.56 2.86 -1.07 0.44 114.93 121.50 2juz h MET 19 Ca 0.09 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.66 2juz h MET 19 Cb 0.10 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 31.61 2juz h MET 19 CO -0.01 0.42 -0.01 0.82 1.06 0.00 0.00 176.91 179.19 2juz h ILE 20 N 0.66 1.26 0.29 -1.22 2.04 -1.20 -2.45 117.51 116.89 2juz h ILE 20 Ca 0.40 -0.87 -0.01 0.00 1.00 0.00 0.00 64.86 65.37 2juz h ILE 20 Cb 0.46 1.57 0.00 0.00 -0.74 0.00 0.00 36.82 38.12 2juz h ILE 20 CO -0.30 0.26 -0.14 0.00 0.00 0.00 0.00 178.15 177.97 2juz h ALA 21 N 0.74 -0.39 -0.76 1.87 0.00 0.01 -2.62 119.26 118.10 2juz h ALA 21 Ca 0.04 -0.15 0.09 0.00 0.00 0.00 0.00 54.91 54.89 2juz h ALA 21 Cb 0.39 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.29 2juz h ALA 21 CO 0.01 -0.63 0.50 0.28 0.00 0.00 0.00 179.25 179.41 2juz h VAL 22 N -0.58 0.97 -0.08 0.00 2.07 -0.24 0.33 116.25 118.72 2juz h VAL 22 Ca -0.04 -0.25 0.02 0.00 0.82 0.00 0.00 66.70 67.25 2juz h VAL 22 Cb 0.42 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 2juz h VAL 22 CO 0.07 0.13 -0.04 0.25 0.02 0.00 0.00 177.57 178.00 2juz h LEU 23 N 0.72 -0.13 -0.28 2.57 5.85 -1.27 0.11 115.31 122.88 2juz h LEU 23 Ca 0.35 0.03 -0.13 0.00 0.84 0.00 0.00 57.88 58.96 2juz h LEU 23 Cb 0.40 0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.50 2juz h LEU 23 CO -0.13 -0.06 -0.35 -0.08 -0.34 0.00 0.00 178.44 177.49 2juz h GLU 24 N -0.04 0.72 -0.64 1.25 4.22 -0.79 -2.45 114.58 116.86 2juz h GLU 24 Ca 0.05 -0.41 -0.04 0.00 0.08 0.00 0.00 59.36 59.04 2juz h GLU 24 Cb 0.10 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 2juz h GLU 24 CO -0.10 1.03 0.25 0.87 -2.18 0.00 0.00 179.01 178.89 2juz h LYS 25 N 0.47 0.94 -0.00 1.92 1.57 -0.27 -1.04 116.57 120.16 2juz h LYS 25 Ca 0.03 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 2juz h LYS 25 Cb 0.94 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.08 2juz h LYS 25 CO 0.08 0.77 -0.04 1.58 -0.57 0.00 0.00 179.45 181.28 2juz n HIS 26 N -4.31 0.00 -3.29 -1.35 -0.00 0.36 -4.95 115.22 101.68 2juz n HIS 26 Ca 0.06 0.00 -0.16 0.00 0.46 0.00 0.00 57.72 58.08 2juz n HIS 26 Cb 0.17 -0.45 0.08 0.00 -0.12 0.00 0.00 29.99 29.67 2juz n HIS 26 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 2juz n LYS 27 N -1.47 -4.09 -3.59 1.57 4.76 -0.40 -5.01 118.16 109.93 2juz n LYS 27 Ca 0.08 0.84 -0.37 0.00 -2.87 0.00 0.00 58.31 55.99 2juz n LYS 27 Cb 0.33 -5.76 -0.07 0.00 -1.84 0.00 0.00 35.03 27.69 2juz n LYS 27 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2juz s ALA 28 N -3.37 3.65 0.68 7.82 0.00 -1.06 -5.07 121.76 124.41 2juz s ALA 28 Ca 0.25 -0.47 -0.15 0.00 0.00 0.00 0.00 51.96 51.59 2juz s ALA 28 Cb -0.03 -2.32 0.01 0.00 0.00 0.00 0.00 23.12 20.78 2juz s ALA 28 CO 0.72 0.22 1.15 -2.14 0.00 0.00 0.00 175.76 175.71 2juz s PRO 29 N 0.05 2.59 0.31 0.00 0.02 -1.26 -4.75 135.00 131.96 2juz s PRO 29 Ca 0.17 1.56 0.03 0.00 0.02 0.00 0.00 61.00 62.77 2juz s PRO 29 Cb -0.13 -1.91 0.60 0.00 0.02 0.00 0.00 34.50 33.08 2juz s PRO 29 CO 0.05 -1.45 1.90 0.28 -0.33 0.00 0.00 177.00 177.45 2juz h VAL 30 N 0.01 1.00 0.05 3.83 2.07 -1.98 0.36 116.25 121.60 2juz h VAL 30 Ca -0.47 -0.33 -0.27 0.00 0.82 0.00 0.00 66.70 66.45 2juz h VAL 30 Cb 1.27 -0.03 0.02 0.00 -1.52 0.00 0.00 31.29 31.04 2juz h VAL 30 CO 0.53 0.17 -1.10 -2.24 0.02 0.00 0.00 177.57 174.95 2juz h ASP 31 N 0.95 0.87 0.29 0.57 2.03 -1.99 -1.58 116.42 117.55 2juz h ASP 31 Ca 0.41 -0.78 -0.13 0.00 -0.73 0.00 0.00 57.03 55.79 2juz h ASP 31 Cb 0.33 -0.27 -0.01 0.00 -0.83 0.00 0.00 39.33 38.55 2juz h ASP 31 CO -0.17 1.55 -0.53 0.25 -1.03 0.00 0.00 179.24 179.31 2juz h LEU 32 N 0.30 0.29 -0.69 0.15 5.85 -1.81 -2.50 115.31 116.90 2juz h LEU 32 Ca -0.15 -0.15 -0.05 0.00 0.84 0.00 0.00 57.88 58.37 2juz h LEU 32 Cb 1.77 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 42.68 2juz h LEU 32 CO 0.21 0.77 0.24 -1.28 -0.34 0.00 0.00 178.44 178.04 2juz h SER 33 N 0.21 0.98 -0.65 1.25 0.87 -0.22 -1.18 113.55 114.80 2juz h SER 33 Ca 0.00 -0.20 -0.01 0.00 -1.23 0.00 0.00 61.79 60.35 2juz h SER 33 Cb 1.01 -0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 62.68 2juz h SER 33 CO 0.08 0.91 0.36 -0.07 -0.53 0.00 0.00 176.83 177.59 2juz h LEU 34 N 1.00 0.83 -0.41 2.23 3.38 -1.02 0.21 115.31 121.52 2juz h LEU 34 Ca 0.22 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 58.09 2juz h LEU 34 Cb 0.27 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 2juz h LEU 34 CO -0.01 0.67 0.10 0.40 0.09 0.00 0.00 178.44 179.69 2juz h ILE 35 N 0.93 1.23 0.11 1.22 2.04 -1.00 0.23 117.51 122.27 2juz h ILE 35 Ca 0.24 -0.79 -0.01 0.00 1.00 0.00 0.00 64.86 65.30 2juz h ILE 35 Cb 0.03 0.96 0.00 0.00 -0.74 0.00 0.00 36.82 37.08 2juz h ILE 35 CO -0.04 0.28 -0.05 0.00 0.00 0.00 0.00 178.15 178.34 2juz h ALA 36 N 0.95 -0.14 -0.81 1.87 0.00 -0.58 -1.22 119.26 119.34 2juz h ALA 36 Ca 0.13 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.04 2juz h ALA 36 Cb 0.31 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.10 2juz h ALA 36 CO 0.00 -0.55 0.50 1.25 0.00 0.00 0.00 179.25 180.44 2juz h LEU 37 N -0.19 0.79 0.02 0.00 5.85 -0.53 0.23 115.31 121.48 2juz h LEU 37 Ca -0.01 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.73 2juz h LEU 37 Cb 0.15 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 2juz h LEU 37 CO 0.02 0.52 -0.05 1.23 -0.34 0.00 0.00 178.44 179.82 2juz h GLY 38 N 0.93 -0.07 1.37 3.75 0.00 -0.24 0.33 103.07 109.13 2juz h GLY 38 Ca 0.34 0.06 -0.07 0.00 0.00 0.00 0.00 47.33 47.66 2juz h GLY 38 CO -0.16 -0.06 0.00 3.43 0.00 0.00 0.00 176.54 179.76 2juz h ASN 39 N -0.10 0.74 -0.13 0.19 2.35 -0.86 -0.81 115.58 116.96 2juz h ASN 39 Ca 0.02 -0.17 -0.04 0.00 -0.55 0.00 0.00 56.30 55.55 2juz h ASN 39 Cb 0.12 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 38.29 2juz h ASN 39 CO -0.04 0.81 -0.07 -0.03 -1.65 0.00 0.00 177.43 176.45 2juz h MET 40 N 0.73 0.28 -0.45 0.81 4.05 -0.62 -1.85 114.93 117.87 2juz h MET 40 Ca 0.14 -0.13 -0.00 0.00 -0.28 0.00 0.00 59.70 59.43 2juz h MET 40 Cb 0.44 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.21 2juz h MET 40 CO 0.02 0.62 0.27 0.00 0.23 0.00 0.00 176.91 178.05 2juz h ALA 41 N 0.66 0.58 -0.52 0.39 0.00 -0.24 -2.11 119.26 118.01 2juz h ALA 41 Ca 0.03 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.92 2juz h ALA 41 Cb 0.54 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 2juz h ALA 41 CO 0.02 0.07 0.27 0.77 0.00 0.00 0.00 179.25 180.38 2juz h SER 42 N 0.60 0.40 -0.16 0.00 0.02 -1.13 0.16 113.55 113.44 2juz h SER 42 Ca 0.16 0.03 0.02 0.00 -0.84 0.00 0.00 61.79 61.16 2juz h SER 42 Cb 0.00 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.47 2juz h SER 42 CO -0.03 0.27 0.03 -1.13 -1.14 0.00 0.00 176.83 174.83 2juz h ASN 43 N 0.53 0.01 -0.09 3.07 -0.73 -0.96 -0.99 115.58 116.41 2juz h ASN 43 Ca 0.23 0.02 -0.15 0.00 1.87 0.00 0.00 56.30 58.27 2juz h ASN 43 Cb 0.12 0.03 -0.01 0.00 0.27 0.00 0.00 38.32 38.74 2juz h ASN 43 CO -0.15 0.03 -0.46 -0.07 -0.37 0.00 0.00 177.43 176.41 2juz h LEU 44 N 0.10 0.69 -0.29 0.34 3.38 -1.14 -2.83 115.31 115.57 2juz h LEU 44 Ca 0.07 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.71 2juz h LEU 44 Cb 0.06 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.62 2juz h LEU 44 CO -0.10 1.05 0.00 -0.11 0.09 0.00 0.00 178.44 179.37 2juz n LEU 45 N -4.01 0.49 -0.70 1.67 7.94 0.54 0.44 117.00 123.37 2juz n LEU 45 Ca -0.02 0.59 0.06 0.00 -1.11 0.00 0.00 56.01 55.53 2juz n LEU 45 Cb 0.56 -0.48 0.16 0.00 0.53 0.00 0.00 43.42 44.19 2juz n LEU 45 CO 0.47 -0.32 0.63 0.35 -1.11 0.00 0.00 177.39 177.40 2juz n THR 46 N -2.01 0.91 0.00 1.96 -2.24 -0.41 -4.64 114.28 107.86 2juz n THR 46 Ca 0.04 -0.96 0.00 0.00 -2.27 0.00 0.00 64.05 60.86 2juz n THR 46 Cb 0.29 0.57 0.00 0.00 -2.10 0.00 0.00 70.33 69.08 2juz n THR 46 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 2juz n THR 47 N 0.65 0.00 1.00 4.28 -1.04 -0.89 -4.94 114.28 113.33 2juz n THR 47 Ca 0.13 0.00 0.10 0.00 -2.04 0.00 0.00 64.05 62.24 2juz n THR 47 Cb 0.44 -0.27 -0.10 0.00 -1.82 0.00 0.00 70.33 68.58 2juz n THR 47 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 2juz n SER 48 N -2.05 1.03 -4.99 8.00 7.64 0.17 -4.94 113.62 118.48 2juz n SER 48 Ca 0.00 -0.99 -0.19 0.00 1.01 0.00 0.00 58.87 58.70 2juz n SER 48 Cb 0.00 0.94 0.01 0.00 -1.01 0.00 0.00 64.21 64.15 2juz n SER 48 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2juz s VAL 49 N -2.97 3.40 -0.31 0.44 -7.23 -1.19 -5.01 120.40 107.53 2juz s VAL 49 Ca 0.09 -0.85 -0.31 0.00 -1.81 0.00 0.00 61.98 59.10 2juz s VAL 49 Cb 0.16 -3.19 -0.08 0.00 0.56 0.00 0.00 36.38 33.83 2juz s VAL 49 CO 0.85 -0.10 2.24 -0.81 -0.31 0.00 0.00 175.10 176.97 2juz n PRO 50 N -1.93 1.49 0.08 4.82 -0.04 -1.26 -4.84 135.00 133.33 2juz n PRO 50 Ca 0.05 0.38 -0.02 0.00 -0.04 0.00 0.00 63.50 63.87 2juz n PRO 50 Cb 0.59 -2.92 0.24 0.00 -0.04 0.00 0.00 33.50 31.37 2juz n PRO 50 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 2juz h GLN 51 N 14.38 0.29 0.00 0.54 5.75 -1.95 -0.21 115.11 133.92 2juz h GLN 51 Ca -0.33 -0.12 0.00 0.00 -0.15 0.00 0.00 58.65 58.05 2juz h GLN 51 Cb 1.28 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.81 2juz h GLN 51 CO 1.01 0.60 -0.08 2.41 -2.65 0.00 0.00 178.83 180.12 2juz n THR 52 N -4.08 0.29 -0.98 2.39 -1.04 -1.26 -3.36 114.28 106.24 2juz n THR 52 Ca -0.01 -0.15 0.07 0.00 -2.04 0.00 0.00 64.05 61.92 2juz n THR 52 Cb 0.44 -0.46 0.09 0.00 -1.82 0.00 0.00 70.33 68.58 2juz n THR 52 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2juz n GLN 53 N -1.88 1.41 -0.00 -2.82 6.02 -0.73 -4.83 117.38 114.54 2juz n GLN 53 Ca 0.06 -2.14 -0.09 0.00 -0.01 0.00 0.00 57.00 54.82 2juz n GLN 53 Cb 0.39 -1.27 -0.03 0.00 1.02 0.00 0.00 30.24 30.35 2juz n GLN 53 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2juz h GLU 55 N -0.22 1.16 -0.27 0.00 5.08 -1.87 0.29 114.58 118.74 2juz h GLU 55 Ca 0.10 -0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 58.33 2juz h GLU 55 Cb 0.37 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 2juz h GLU 55 CO -0.27 0.77 -0.07 0.00 -1.00 0.00 0.00 179.01 178.44 2juz h ALA 56 N 1.39 0.37 -0.14 3.43 0.00 -1.74 -1.81 119.26 120.76 2juz h ALA 56 Ca 0.38 -0.28 -0.14 0.00 0.00 0.00 0.00 54.91 54.87 2juz h ALA 56 Cb 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2juz h ALA 56 CO -0.12 0.18 -0.53 -0.07 0.00 0.00 0.00 179.25 178.72 2juz h LEU 57 N 0.27 0.42 -0.24 0.00 -0.00 -0.64 -1.02 115.31 114.10 2juz h LEU 57 Ca 0.07 -0.22 -0.03 0.00 -0.00 0.00 0.00 57.88 57.70 2juz h LEU 57 Cb 0.54 -0.12 -0.01 0.00 -0.00 0.00 0.00 40.66 41.07 2juz h LEU 57 CO 0.03 0.87 0.05 0.00 -0.00 0.00 0.00 178.44 179.38 2juz h ALA 58 N 1.14 0.32 -0.34 1.53 0.00 -0.37 0.19 119.26 121.73 2juz h ALA 58 Ca 0.01 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.65 2juz h ALA 58 Cb 1.02 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 2juz h ALA 58 CO 0.09 -0.01 -0.18 1.96 0.00 0.00 0.00 179.25 181.11 2juz h GLN 59 N 0.21 0.62 -0.29 0.00 1.08 -1.27 0.23 115.11 115.69 2juz h GLN 59 Ca 0.07 -0.22 -0.03 0.00 -1.45 0.00 0.00 58.65 57.03 2juz h GLN 59 Cb 0.31 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.68 2juz h GLN 59 CO 0.00 0.77 0.08 0.00 -0.95 0.00 0.00 178.83 178.72 2juz h ALA 60 N 1.25 0.38 -0.49 3.87 0.00 -0.98 0.17 119.26 123.47 2juz h ALA 60 Ca 0.09 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2juz h ALA 60 Cb 0.62 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 2juz h ALA 60 CO 0.04 0.04 0.32 0.35 0.00 0.00 0.00 179.25 180.00 2juz h PHE 61 N 0.31 0.61 0.58 0.00 3.57 -0.37 -1.72 116.94 119.93 2juz h PHE 61 Ca 0.09 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.59 2juz h PHE 61 Cb 0.28 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.79 2juz h PHE 61 CO 0.01 0.39 -0.49 1.03 -2.23 0.00 0.00 178.31 177.02 2juz h SER 62 N 0.66 -1.30 -0.97 0.41 0.87 -0.31 -2.13 113.55 110.78 2juz h SER 62 Ca 0.18 0.10 0.18 0.00 -1.23 0.00 0.00 61.79 61.02 2juz h SER 62 Cb -0.08 0.41 -0.09 0.00 -0.44 0.00 0.00 62.40 62.21 2juz h SER 62 CO -0.04 -0.68 0.61 0.78 -0.53 0.00 0.00 176.83 176.97 2juz h ASN 63 N -1.05 0.70 -0.40 6.23 -0.26 -0.55 0.36 115.58 120.61 2juz h ASN 63 Ca -0.07 0.07 -0.00 0.00 -0.56 0.00 0.00 56.30 55.74 2juz h ASN 63 Cb 0.89 -0.06 -0.02 0.00 -1.06 0.00 0.00 38.32 38.07 2juz h ASN 63 CO -0.01 0.28 0.25 0.28 -1.06 0.00 0.00 177.43 177.17 2juz h SER 64 N 0.70 0.48 0.54 5.81 0.02 -1.00 -0.41 113.55 119.68 2juz h SER 64 Ca 0.53 -0.05 -0.15 0.00 -0.84 0.00 0.00 61.79 61.29 2juz h SER 64 Cb 0.91 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 63.31 2juz h SER 64 CO -0.30 0.38 -0.66 -0.07 -1.14 0.00 0.00 176.83 175.05 2juz h LEU 65 N 0.53 0.13 -1.37 5.07 -0.00 -0.23 -2.08 115.31 117.35 2juz h LEU 65 Ca 0.14 -0.08 -0.04 0.00 -0.00 0.00 0.00 57.88 57.90 2juz h LEU 65 Cb -0.01 -0.04 -0.01 0.00 -0.00 0.00 0.00 40.66 40.60 2juz h LEU 65 CO -0.03 0.75 -0.05 0.40 -0.00 0.00 0.00 178.44 179.51 2juz h ILE 66 N 0.08 1.17 0.00 1.22 1.08 -0.00 -0.38 117.51 120.68 2juz h ILE 66 Ca -0.01 -0.71 -0.11 0.00 -0.39 0.00 0.00 64.86 63.65 2juz h ILE 66 Cb 1.17 1.05 -0.02 0.00 -3.07 0.00 0.00 36.82 35.96 2juz h ILE 66 CO 0.09 0.23 -0.50 0.78 -0.69 0.00 0.00 178.15 178.06 2juz h ASN 67 N 0.34 0.00 -0.09 1.72 2.35 -0.74 0.27 115.58 119.43 2juz h ASN 67 Ca 0.07 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.81 2juz h ASN 67 Cb 0.31 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.68 2juz h ASN 67 CO 0.01 0.50 0.00 0.00 -1.65 0.00 0.00 177.43 176.30 2juz h ALA 68 N 1.50 0.12 -0.84 -0.83 0.00 -0.61 -0.34 119.26 118.27 2juz h ALA 68 Ca -0.01 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 2juz h ALA 68 Cb 1.24 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.95 2juz h ALA 68 CO 0.07 -0.20 0.41 0.28 0.00 0.00 0.00 179.25 179.81 2juz h VAL 69 N -0.12 1.25 -0.77 0.00 2.07 -1.03 -2.02 116.25 115.64 2juz h VAL 69 Ca 0.03 -0.70 0.11 0.00 0.82 0.00 0.00 66.70 66.96 2juz h VAL 69 Cb 0.34 0.17 -0.08 0.00 -1.52 0.00 0.00 31.29 30.20 2juz h VAL 69 CO 0.00 0.30 0.39 0.50 0.02 0.00 0.00 177.57 178.78 2juz h LYS 70 N 1.19 0.60 0.00 1.57 1.63 -0.28 0.47 116.57 121.75 2juz h LYS 70 Ca 0.29 -0.04 -0.07 0.00 -0.85 0.00 0.00 60.65 59.98 2juz h LYS 70 Cb 0.10 -0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 31.59 2juz h LYS 70 CO -0.04 0.39 -0.34 1.15 -3.45 0.00 0.00 179.45 177.17 2juz h THR 71 N 0.61 0.89 -0.08 1.00 2.02 -0.38 -0.33 112.91 116.65 2juz h THR 71 Ca 0.40 -1.35 -0.20 0.00 0.77 0.00 0.00 66.41 66.03 2juz h THR 71 Cb 0.48 1.81 -0.00 0.00 -1.74 0.00 0.00 68.15 68.70 2juz h THR 71 CO -0.31 0.33 -0.77 -0.09 0.37 0.00 0.00 175.52 175.06 2juz h ARG 72 N 0.00 0.47 0.00 6.66 1.12 -0.44 -3.08 114.38 119.11 2juz h ARG 72 Ca -0.00 -0.40 -0.07 0.00 -1.11 0.00 0.00 59.98 58.40 2juz h ARG 72 Cb 0.78 0.09 -0.01 0.00 -0.01 0.00 0.00 29.97 30.82 2juz h ARG 72 CO 0.04 1.03 -0.31 -0.07 -3.11 0.00 0.00 179.97 177.56 2juz h LEU 73 N 0.31 0.00 -9.47 3.80 3.38 -0.40 -3.43 115.31 109.50 2juz h LEU 73 Ca -0.04 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.40 2juz h LEU 73 Cb 1.36 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.13 2juz h LEU 73 CO 0.14 0.31 0.89 -0.70 0.09 0.00 0.00 178.44 179.16 2juz s GLU 74 N -3.56 4.24 0.00 1.13 2.56 -0.18 -4.82 118.70 118.06 2juz s GLU 74 Ca 0.01 2.20 0.00 0.00 0.00 0.00 0.00 54.97 57.17 2juz s GLU 74 Cb 0.10 -3.46 0.00 0.00 2.00 0.00 0.00 34.13 32.78 2juz s GLU 74 CO 0.67 -0.62 0.58 1.58 -0.56 0.00 0.00 175.26 176.91 2juz n HIS 75 N 4.97 0.00 -2.63 5.30 -0.00 -1.26 -4.96 115.22 116.64 2juz n HIS 75 Ca 0.14 -0.01 -0.42 0.00 0.46 0.00 0.00 57.72 57.88 2juz n HIS 75 Cb 0.41 0.21 -0.01 0.00 -0.12 0.00 0.00 29.99 30.48 2juz n HIS 75 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2juz s HIS 76 N 0.00 2.78 0.00 1.57 3.76 -1.26 -4.24 115.29 117.91 2juz s HIS 76 Ca 0.00 -1.38 0.00 0.00 -0.15 0.00 0.00 55.06 53.53 2juz s HIS 76 Cb 0.00 -4.66 0.00 0.00 1.11 0.00 0.00 32.58 29.03 2juz s HIS 76 CO -0.00 -1.79 0.00 0.72 -0.85 0.00 0.00 174.74 172.81 2juz n HIS 77 N 8.19 0.00 -3.51 1.40 8.25 -1.26 -4.99 115.22 123.29 2juz n HIS 77 Ca 0.40 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.57 2juz n HIS 77 Cb 0.48 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.46 2juz n HIS 77 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2juz s HIS 78 N -1.16 0.78 -0.09 4.41 5.65 -1.26 -5.00 115.29 118.62 2juz s HIS 78 Ca 0.00 -1.52 -0.25 0.00 0.25 0.00 0.00 55.06 53.53 2juz s HIS 78 Cb 0.00 -1.03 -0.21 0.00 -1.18 0.00 0.00 32.58 30.16 2juz s HIS 78 CO 0.00 -0.83 0.91 1.12 -0.65 0.00 0.00 174.74 175.29 2juz h HIS 79 N 7.36 -0.03 0.00 3.88 2.07 -1.94 -3.53 115.15 122.96 2juz h HIS 79 Ca -0.01 -0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.50 2juz h HIS 79 Cb 0.98 0.01 0.00 0.00 2.57 0.00 0.00 27.41 30.97 2juz h HIS 79 CO 0.41 0.67 0.00 0.72 -3.07 0.00 0.00 177.93 176.65