#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 3.16 -0.82 -5.12 0.00 -1.26 -4.97 121.76 112.76 2juz s ALA 2 Ca 0.00 -2.12 -0.26 0.00 0.00 0.00 0.00 51.96 49.58 2juz s ALA 2 Cb 0.00 -3.95 0.02 0.00 0.00 0.00 0.00 23.12 19.19 2juz s ALA 2 CO 0.00 -2.88 1.46 -0.65 0.00 0.00 0.00 175.76 173.69 2juz s GLN 3 N 3.73 3.18 0.97 0.00 -0.21 -1.26 -4.99 119.66 121.09 2juz s GLN 3 Ca 0.26 -0.39 -0.12 0.00 0.02 0.00 0.00 55.36 55.13 2juz s GLN 3 Cb -0.13 -4.62 0.17 0.00 1.00 0.00 0.00 33.01 29.44 2juz s GLN 3 CO 0.04 -2.34 1.09 -3.38 -2.12 0.00 0.00 175.29 168.58 2juz s HIS 4 N 6.29 2.16 -0.15 0.91 -3.43 -1.26 -4.92 115.29 114.90 2juz s HIS 4 Ca 0.45 1.04 -0.29 0.00 -0.80 0.00 0.00 55.06 55.47 2juz s HIS 4 Cb -0.06 -3.25 -0.06 0.00 -1.43 0.00 0.00 32.58 27.79 2juz s HIS 4 CO 0.07 -2.77 2.01 -1.12 -2.00 0.00 0.00 174.74 170.93 2juz s SER 5 N -3.47 5.95 -0.03 7.38 0.01 -1.26 -4.84 113.70 117.44 2juz s SER 5 Ca 0.65 2.05 0.05 0.00 1.31 0.00 0.00 55.95 60.01 2juz s SER 5 Cb -0.18 -2.52 0.21 0.00 0.21 0.00 0.00 66.02 63.74 2juz s SER 5 CO 0.57 -1.55 1.03 2.29 0.41 0.00 0.00 173.24 175.99 2juz n LYS 6 N 8.17 1.77 -2.77 12.44 2.85 -1.26 -4.91 118.16 134.45 2juz n LYS 6 Ca 0.24 -0.83 -0.04 0.00 -1.05 0.00 0.00 58.31 56.63 2juz n LYS 6 Cb 0.44 -1.41 0.00 0.00 -0.65 0.00 0.00 35.03 33.41 2juz n LYS 6 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2juz n TYR 7 N 0.15 -2.86 -3.86 5.58 4.01 -1.26 -5.01 117.16 113.90 2juz n TYR 7 Ca 0.08 1.13 -0.35 0.00 -0.16 0.00 0.00 57.90 58.59 2juz n TYR 7 Cb 0.33 -3.79 -0.08 0.00 -0.31 0.00 0.00 39.34 35.49 2juz n TYR 7 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 2juz s SER 8 N -2.63 6.07 0.57 7.72 0.01 -1.26 -4.96 113.70 119.21 2juz s SER 8 Ca 0.12 0.25 0.32 0.00 1.31 0.00 0.00 55.95 57.94 2juz s SER 8 Cb -0.03 -2.03 1.70 0.00 0.21 0.00 0.00 66.02 65.87 2juz s SER 8 CO 0.67 0.24 2.15 -2.24 0.41 0.00 0.00 173.24 174.47 2juz h ASP 9 N 6.20 0.00 0.61 2.44 2.03 -1.98 0.51 116.42 126.23 2juz h ASP 9 Ca -0.44 0.00 -0.27 0.00 -0.73 0.00 0.00 57.03 55.59 2juz h ASP 9 Cb 1.17 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.68 2juz h ASP 9 CO 0.69 0.06 -1.21 0.00 -1.03 0.00 0.00 179.24 177.76 2juz h ALA 10 N 1.94 0.12 -0.28 4.15 0.00 -1.99 -1.90 119.26 121.30 2juz h ALA 10 Ca -0.00 -0.87 -0.16 0.00 0.00 0.00 0.00 54.91 53.88 2juz h ALA 10 Cb 0.23 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 2juz h ALA 10 CO 0.01 0.96 -0.48 0.37 0.00 0.00 0.00 179.25 180.11 2juz h GLN 11 N 0.09 0.76 0.43 0.00 4.15 -1.54 -2.69 115.11 116.31 2juz h GLN 11 Ca -0.13 -0.44 -0.01 0.00 0.77 0.00 0.00 58.65 58.84 2juz h GLN 11 Cb 1.93 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 29.65 2juz h GLN 11 CO 0.20 1.07 -0.28 1.25 -1.93 0.00 0.00 178.83 179.13 2juz h LEU 12 N 0.60 -0.72 -0.85 -2.39 5.85 -0.06 -2.52 115.31 115.22 2juz h LEU 12 Ca 0.03 0.05 0.15 0.00 0.84 0.00 0.00 57.88 58.95 2juz h LEU 12 Cb 1.05 0.22 -0.10 0.00 0.37 0.00 0.00 40.66 42.20 2juz h LEU 12 CO 0.10 -0.44 0.43 0.28 -0.34 0.00 0.00 178.44 178.47 2juz h SER 13 N -0.69 0.51 -0.79 1.25 0.02 -1.30 0.67 113.55 113.21 2juz h SER 13 Ca -0.05 0.10 0.02 0.00 -0.84 0.00 0.00 61.79 61.02 2juz h SER 13 Cb 0.58 0.02 -0.04 0.00 0.14 0.00 0.00 62.40 63.09 2juz h SER 13 CO 0.04 0.20 0.52 0.00 -1.14 0.00 0.00 176.83 176.44 2juz h ALA 14 N 1.57 1.02 -0.10 3.77 0.00 -1.29 0.65 119.26 124.87 2juz h ALA 14 Ca 0.47 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.30 2juz h ALA 14 Cb 0.69 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 2juz h ALA 14 CO -0.38 0.38 -0.07 0.82 0.00 0.00 0.00 179.25 180.00 2juz h ILE 15 N 1.04 1.34 -0.67 0.00 2.04 -0.51 -2.32 117.51 118.43 2juz h ILE 15 Ca 0.30 -1.14 -0.06 0.00 1.00 0.00 0.00 64.86 64.96 2juz h ILE 15 Cb -0.08 1.87 -0.03 0.00 -0.74 0.00 0.00 36.82 37.85 2juz h ILE 15 CO -0.08 0.32 0.20 0.58 0.00 0.00 0.00 178.15 179.17 2juz h VAL 16 N -0.15 1.25 -0.27 1.67 2.07 -0.90 -2.23 116.25 117.70 2juz h VAL 16 Ca 0.02 -0.89 -0.05 0.00 0.82 0.00 0.00 66.70 66.60 2juz h VAL 16 Cb 0.55 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 2juz h VAL 16 CO 0.02 0.34 -0.05 0.78 0.02 0.00 0.00 177.57 178.68 2juz h ASN 17 N 0.98 0.39 -0.11 0.57 2.35 -0.87 -1.30 115.58 117.58 2juz h ASN 17 Ca 0.21 -0.08 -0.02 0.00 -0.55 0.00 0.00 56.30 55.87 2juz h ASN 17 Cb 0.32 -0.10 -0.00 0.00 0.05 0.00 0.00 38.32 38.58 2juz h ASN 17 CO -0.00 0.50 0.01 -0.78 -1.65 0.00 0.00 177.43 175.50 2juz h ASP 18 N 0.40 0.19 -0.98 5.81 3.58 -1.00 -2.32 116.42 122.11 2juz h ASP 18 Ca 0.08 -0.30 0.10 0.00 0.42 0.00 0.00 57.03 57.33 2juz h ASP 18 Cb 0.35 -0.05 -0.08 0.00 1.72 0.00 0.00 39.33 41.27 2juz h ASP 18 CO 0.01 0.44 0.61 0.24 -2.88 0.00 0.00 179.24 177.67 2juz h MET 19 N -0.06 1.00 -0.46 0.28 2.86 -0.90 0.43 114.93 118.09 2juz h MET 19 Ca 0.03 -0.06 0.03 0.00 -2.06 0.00 0.00 59.70 57.64 2juz h MET 19 Cb 0.34 -0.23 -0.03 0.00 0.06 0.00 0.00 31.60 31.74 2juz h MET 19 CO 0.00 0.66 0.25 0.82 1.06 0.00 0.00 176.91 179.71 2juz h ILE 20 N 1.03 1.01 -0.34 -1.22 2.04 -1.09 0.19 117.51 119.13 2juz h ILE 20 Ca 0.46 -0.17 -0.05 0.00 1.00 0.00 0.00 64.86 66.10 2juz h ILE 20 Cb 0.34 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 2juz h ILE 20 CO -0.23 0.09 0.03 0.00 0.00 0.00 0.00 178.15 178.04 2juz h ALA 21 N 1.22 0.45 -0.45 1.87 0.00 -0.51 -1.57 119.26 120.27 2juz h ALA 21 Ca 0.19 -0.22 0.05 0.00 0.00 0.00 0.00 54.91 54.93 2juz h ALA 21 Cb 0.05 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 2juz h ALA 21 CO -0.11 0.19 0.18 0.28 0.00 0.00 0.00 179.25 179.78 2juz h VAL 22 N 0.40 0.88 -0.85 0.00 2.07 0.15 0.18 116.25 119.08 2juz h VAL 22 Ca 0.10 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.48 2juz h VAL 22 Cb 0.41 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 30.63 2juz h VAL 22 CO 0.01 0.07 0.47 0.25 0.02 0.00 0.00 177.57 178.39 2juz h LEU 23 N 0.36 1.05 -0.20 2.57 5.85 -0.51 -2.83 115.31 121.60 2juz h LEU 23 Ca 0.21 -0.09 -0.21 0.00 0.84 0.00 0.00 57.88 58.63 2juz h LEU 23 Cb 0.18 -0.27 0.01 0.00 0.37 0.00 0.00 40.66 40.95 2juz h LEU 23 CO -0.20 0.84 -0.72 -0.08 -0.34 0.00 0.00 178.44 177.95 2juz h GLU 24 N 1.19 0.81 -0.29 1.25 4.81 -0.52 -1.19 114.58 120.64 2juz h GLU 24 Ca 0.30 -0.62 -0.01 0.00 -0.13 0.00 0.00 59.36 58.90 2juz h GLU 24 Cb 0.02 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 2juz h GLU 24 CO -0.05 1.23 0.15 0.87 -0.73 0.00 0.00 179.01 180.48 2juz h LYS 25 N 0.57 0.41 0.00 1.92 1.57 -0.44 -2.22 116.57 118.37 2juz h LYS 25 Ca -0.04 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 2juz h LYS 25 Cb 1.34 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 33.57 2juz h LYS 25 CO 0.15 0.37 -0.12 1.25 -0.57 0.00 0.00 179.45 180.54 2juz h HIS 26 N 0.34 0.00 -4.92 -1.35 2.76 -1.60 -3.49 115.15 106.89 2juz h HIS 26 Ca 0.10 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.27 2juz h HIS 26 Cb 0.09 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.05 2juz h HIS 26 CO -0.03 0.08 -0.61 1.17 -1.30 0.00 0.00 177.93 177.25 2juz n LYS 27 N -3.11 -2.47 -3.52 5.26 4.81 -0.50 -5.00 118.16 113.64 2juz n LYS 27 Ca 0.04 2.15 -0.42 0.00 -0.87 0.00 0.00 58.31 59.21 2juz n LYS 27 Cb 0.57 -5.00 -0.10 0.00 0.02 0.00 0.00 35.03 30.51 2juz n LYS 27 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2juz s ALA 28 N -1.99 3.43 0.92 3.14 0.00 -0.90 -5.04 121.76 121.32 2juz s ALA 28 Ca 0.13 -1.63 -0.11 0.00 0.00 0.00 0.00 51.96 50.35 2juz s ALA 28 Cb -0.04 -2.75 0.14 0.00 0.00 0.00 0.00 23.12 20.48 2juz s ALA 28 CO 0.67 -1.31 1.11 -1.25 0.00 0.00 0.00 175.76 174.98 2juz s PRO 29 N 1.66 1.03 0.46 0.00 0.04 -1.26 -4.55 135.00 132.38 2juz s PRO 29 Ca 0.05 1.23 0.26 0.00 0.04 0.00 0.00 61.00 62.58 2juz s PRO 29 Cb -0.19 -1.75 1.30 0.00 0.04 0.00 0.00 34.50 33.90 2juz s PRO 29 CO 0.09 -2.52 1.79 0.28 0.04 0.00 0.00 177.00 176.68 2juz h VAL 30 N -1.77 0.48 0.00 -0.36 2.07 -1.98 0.65 116.25 115.34 2juz h VAL 30 Ca -0.47 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 66.98 2juz h VAL 30 Cb 1.27 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 2juz h VAL 30 CO 0.47 0.04 0.00 0.47 0.02 0.00 0.00 177.57 178.57 2juz n ASP 31 N -4.44 0.00 0.17 0.57 9.92 -1.26 -1.86 116.55 119.65 2juz n ASP 31 Ca 0.25 0.92 0.01 0.00 -0.53 0.00 0.00 54.79 55.45 2juz n ASP 31 Cb 1.03 -0.42 0.31 0.00 -0.64 0.00 0.00 41.12 41.39 2juz n ASP 31 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 2juz h LEU 32 N 0.00 0.02 -0.17 0.64 3.38 -1.79 -2.68 115.31 114.72 2juz h LEU 32 Ca 0.00 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 2juz h LEU 32 Cb 0.00 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2juz h LEU 32 CO 0.00 0.44 0.10 -1.28 0.09 0.00 0.00 178.44 177.79 2juz h SER 33 N 0.02 0.21 -0.35 -0.43 0.87 -0.90 0.14 113.55 113.10 2juz h SER 33 Ca -0.00 -0.05 -0.13 0.00 -1.23 0.00 0.00 61.79 60.38 2juz h SER 33 Cb 0.75 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.65 2juz h SER 33 CO 0.06 0.20 -0.24 -0.07 -0.53 0.00 0.00 176.83 176.24 2juz h LEU 34 N 0.20 0.88 -0.64 2.23 3.38 -1.21 -0.84 115.31 119.31 2juz h LEU 34 Ca 0.06 -0.33 -0.11 0.00 0.09 0.00 0.00 57.88 57.59 2juz h LEU 34 Cb 0.03 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 2juz h LEU 34 CO -0.01 1.08 -0.16 0.40 0.09 0.00 0.00 178.44 179.83 2juz h ILE 35 N 0.74 1.27 -0.44 1.22 2.04 -1.26 0.13 117.51 121.21 2juz h ILE 35 Ca 0.09 -1.29 -0.02 0.00 1.00 0.00 0.00 64.86 64.64 2juz h ILE 35 Cb 0.78 1.08 -0.02 0.00 -0.74 0.00 0.00 36.82 37.93 2juz h ILE 35 CO 0.06 0.44 0.19 0.00 0.00 0.00 0.00 178.15 178.85 2juz h ALA 36 N 1.02 0.56 -0.58 1.87 0.00 -0.54 -0.34 119.26 121.26 2juz h ALA 36 Ca 0.12 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.91 2juz h ALA 36 Cb 0.70 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 2juz h ALA 36 CO 0.05 0.15 0.37 1.25 0.00 0.00 0.00 179.25 181.08 2juz h LEU 37 N 0.56 0.63 0.07 0.00 6.46 -0.85 0.13 115.31 122.31 2juz h LEU 37 Ca 0.15 -0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.90 2juz h LEU 37 Cb 0.16 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 39.94 2juz h LEU 37 CO -0.01 0.45 -0.06 1.23 -0.62 0.00 0.00 178.44 179.42 2juz h GLY 38 N 0.75 -0.13 1.02 3.75 0.00 -0.44 0.25 103.07 108.27 2juz h GLY 38 Ca 0.22 0.07 -0.01 0.00 0.00 0.00 0.00 47.33 47.61 2juz h GLY 38 CO -0.07 -0.07 0.54 3.43 0.00 0.00 0.00 176.54 180.37 2juz h ASN 39 N -0.14 1.12 0.09 0.19 2.35 -0.84 -1.30 115.58 117.05 2juz h ASN 39 Ca 0.00 -0.08 -0.00 0.00 -0.55 0.00 0.00 56.30 55.67 2juz h ASN 39 Cb 0.13 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.22 2juz h ASN 39 CO -0.01 0.87 -0.05 -0.03 -1.65 0.00 0.00 177.43 176.57 2juz h MET 40 N 1.27 -0.12 -0.01 0.81 4.05 -0.42 -1.51 114.93 118.99 2juz h MET 40 Ca 0.33 0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.76 2juz h MET 40 Cb -0.03 0.03 -0.00 0.00 -0.80 0.00 0.00 31.60 30.80 2juz h MET 40 CO -0.06 0.15 -0.00 0.00 0.23 0.00 0.00 176.91 177.23 2juz h ALA 41 N 0.48 0.01 -0.76 0.39 0.00 -0.38 -1.62 119.26 117.39 2juz h ALA 41 Ca -0.01 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 2juz h ALA 41 Cb 0.33 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 2juz h ALA 41 CO 0.02 -0.50 0.25 0.66 0.00 0.00 0.00 179.25 179.69 2juz h SER 42 N 0.00 1.09 -0.48 0.00 4.64 -1.28 -1.13 113.55 116.39 2juz h SER 42 Ca 0.01 -0.20 -0.05 0.00 -0.47 0.00 0.00 61.79 61.08 2juz h SER 42 Cb 0.01 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 61.79 2juz h SER 42 CO -0.01 1.00 0.13 -1.13 -0.87 0.00 0.00 176.83 175.94 2juz h ASN 43 N 1.12 0.76 -0.08 4.97 -1.24 -1.04 -1.68 115.58 118.39 2juz h ASN 43 Ca 0.25 -0.14 -0.10 0.00 0.71 0.00 0.00 56.30 57.02 2juz h ASN 43 Cb 0.29 -0.20 0.00 0.00 0.73 0.00 0.00 38.32 39.14 2juz h ASN 43 CO -0.01 0.75 -0.35 -0.07 -1.29 0.00 0.00 177.43 176.46 2juz h LEU 44 N 0.79 0.45 -1.83 0.34 3.38 -0.91 -2.82 115.31 114.71 2juz h LEU 44 Ca 0.17 -0.64 0.00 0.00 0.09 0.00 0.00 57.88 57.50 2juz h LEU 44 Cb 0.29 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.91 2juz h LEU 44 CO -0.00 1.02 0.00 -0.07 0.09 0.00 0.00 178.44 179.48 2juz h LEU 45 N -0.08 0.00 -0.80 1.67 3.38 -1.05 0.20 115.31 118.63 2juz h LEU 45 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2juz h LEU 45 Cb 1.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.75 2juz h LEU 45 CO 0.07 0.00 -0.42 0.35 0.09 0.00 0.00 178.44 178.53 2juz n THR 46 N -2.99 0.00 -0.07 0.22 -2.24 -0.65 -3.46 114.28 105.09 2juz n THR 46 Ca -0.00 -0.21 -0.14 0.00 -2.27 0.00 0.00 64.05 61.43 2juz n THR 46 Cb 0.22 0.96 -0.05 0.00 -2.10 0.00 0.00 70.33 69.37 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 -0.27 1.19 -0.62 4.28 -1.04 -0.49 -4.65 114.28 112.68 2juz n THR 47 Ca 0.10 -0.05 -0.06 0.00 -2.04 0.00 0.00 64.05 62.00 2juz n THR 47 Cb 0.43 -1.90 0.23 0.00 -1.82 0.00 0.00 70.33 67.27 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 -3.97 4.19 -4.68 8.00 7.64 0.59 -4.96 113.62 120.43 2juz n SER 48 Ca -0.25 -2.99 -0.46 0.00 1.01 0.00 0.00 58.87 56.18 2juz n SER 48 Cb 0.58 -0.71 -0.04 0.00 -1.01 0.00 0.00 64.21 63.04 2juz n SER 48 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 2juz n VAL 49 N -0.13 0.45 0.00 0.44 3.14 -1.23 -4.96 118.33 116.04 2juz n VAL 49 Ca 0.34 -0.08 0.00 0.00 -2.96 0.00 0.00 64.34 61.64 2juz n VAL 49 Cb 1.21 -1.92 0.00 0.00 -1.06 0.00 0.00 33.84 32.07 2juz n VAL 49 CO 0.00 0.00 0.00 -0.81 -6.46 0.00 0.00 176.83 169.56 2juz n PRO 50 N 5.91 0.00 0.00 1.45 -0.04 -1.26 -5.06 135.00 136.01 2juz n PRO 50 Ca 0.20 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.66 2juz n PRO 50 Cb 0.33 -0.60 0.00 0.00 -0.04 0.00 0.00 33.50 33.19 2juz n PRO 50 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2juz n GLN 51 N -0.27 0.00 -0.01 0.54 3.00 -1.26 -5.02 117.38 114.36 2juz n GLN 51 Ca 0.00 0.00 0.10 0.00 -0.01 0.00 0.00 57.00 57.09 2juz n GLN 51 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 30.24 30.10 2juz n GLN 51 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.06 179.47 2juz n THR 52 N 0.00 0.00 1.24 5.09 -1.04 -1.26 -4.07 114.28 114.24 2juz n THR 52 Ca 0.00 -0.30 0.11 0.00 -2.04 0.00 0.00 64.05 61.81 2juz n THR 52 Cb 0.00 0.40 0.61 0.00 -1.82 0.00 0.00 70.33 69.52 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 -1.92 0.56 -0.06 -2.82 6.02 -1.26 -3.41 117.38 114.49 2juz n GLN 53 Ca -0.01 0.03 -0.08 0.00 -0.01 0.00 0.00 57.00 56.92 2juz n GLN 53 Cb 0.44 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 30.19 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 0.23 0.27 -0.05 0.00 5.08 -1.88 -2.20 114.58 116.03 2juz h GLU 55 Ca 0.11 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.44 2juz h GLU 55 Cb 0.06 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 2juz h GLU 55 CO -0.09 0.30 -0.03 0.00 -1.00 0.00 0.00 179.01 178.19 2juz h ALA 56 N 0.95 0.01 -0.42 3.43 0.00 -1.64 0.18 119.26 121.78 2juz h ALA 56 Ca 0.06 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 2juz h ALA 56 Cb 0.13 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2juz h ALA 56 CO -0.01 -0.51 -0.20 -0.07 0.00 0.00 0.00 179.25 178.46 2juz h LEU 57 N -0.03 0.83 -0.58 0.00 4.07 -1.07 0.18 115.31 118.71 2juz h LEU 57 Ca 0.03 -0.29 -0.08 0.00 0.08 0.00 0.00 57.88 57.62 2juz h LEU 57 Cb 0.08 -0.23 -0.02 0.00 1.08 0.00 0.00 40.66 41.57 2juz h LEU 57 CO -0.07 1.01 0.04 0.00 -1.08 0.00 0.00 178.44 178.34 2juz h ALA 58 N 1.06 0.77 -0.29 1.53 0.00 -1.08 0.63 119.26 121.88 2juz h ALA 58 Ca 0.10 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 2juz h ALA 58 Cb 0.72 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2juz h ALA 58 CO 0.06 0.57 -0.00 0.37 0.00 0.00 0.00 179.25 180.24 2juz h GLN 59 N 0.88 0.51 0.12 0.00 5.75 -0.40 -2.21 115.11 119.77 2juz h GLN 59 Ca 0.17 -0.16 -0.01 0.00 -0.15 0.00 0.00 58.65 58.50 2juz h GLN 59 Cb 0.49 -0.05 0.00 0.00 1.07 0.00 0.00 27.48 29.00 2juz h GLN 59 CO 0.02 0.66 -0.06 0.00 -2.65 0.00 0.00 178.83 176.81 2juz h ALA 60 N 0.83 -0.16 -0.02 3.38 0.00 -0.46 0.54 119.26 123.36 2juz h ALA 60 Ca 0.08 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.98 2juz h ALA 60 Cb 0.43 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 2juz h ALA 60 CO 0.01 -0.59 -0.10 0.35 0.00 0.00 0.00 179.25 178.93 2juz h PHE 61 N -0.16 -0.25 0.17 0.00 3.57 -0.89 -0.36 116.94 119.02 2juz h PHE 61 Ca -0.02 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 2juz h PHE 61 Cb 0.13 0.11 0.00 0.00 2.79 0.00 0.00 35.95 38.98 2juz h PHE 61 CO -0.07 -0.15 -0.08 0.66 -2.23 0.00 0.00 178.31 176.44 2juz h SER 62 N -0.16 -0.20 -0.52 0.41 4.64 -1.32 -0.57 113.55 115.84 2juz h SER 62 Ca 0.05 -0.21 0.09 0.00 -0.47 0.00 0.00 61.79 61.25 2juz h SER 62 Cb 0.22 0.05 -0.07 0.00 -0.31 0.00 0.00 62.40 62.29 2juz h SER 62 CO -0.12 0.10 0.12 -1.13 -0.87 0.00 0.00 176.83 174.93 2juz h ASN 63 N -0.51 0.03 -0.00 4.97 -0.73 -0.83 0.18 115.58 118.68 2juz h ASN 63 Ca -0.02 0.09 -0.09 0.00 1.87 0.00 0.00 56.30 58.14 2juz h ASN 63 Cb 0.39 0.12 -0.01 0.00 0.27 0.00 0.00 38.32 39.08 2juz h ASN 63 CO 0.04 0.04 -0.26 -1.28 -0.37 0.00 0.00 177.43 175.60 2juz h SER 64 N 0.26 0.42 -0.58 1.15 0.87 -1.02 -1.04 113.55 113.61 2juz h SER 64 Ca 0.26 -0.14 -0.09 0.00 -1.23 0.00 0.00 61.79 60.59 2juz h SER 64 Cb 0.35 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.17 2juz h SER 64 CO -0.33 0.68 0.02 0.25 -0.53 0.00 0.00 176.83 176.92 2juz h LEU 65 N 0.37 1.01 -0.51 2.23 5.85 0.39 0.11 115.31 124.76 2juz h LEU 65 Ca 0.05 -0.28 -0.03 0.00 0.84 0.00 0.00 57.88 58.47 2juz h LEU 65 Cb 0.66 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 2juz h LEU 65 CO 0.05 1.05 0.22 0.40 -0.34 0.00 0.00 178.44 179.82 2juz h ILE 66 N 0.95 1.21 -0.29 4.05 1.08 -0.23 -2.33 117.51 121.95 2juz h ILE 66 Ca 0.17 -0.62 -0.06 0.00 -0.39 0.00 0.00 64.86 63.96 2juz h ILE 66 Cb 0.53 0.67 -0.02 0.00 -3.07 0.00 0.00 36.82 34.93 2juz h ILE 66 CO 0.03 0.24 -0.09 -1.13 -0.69 0.00 0.00 178.15 176.50 2juz h ASN 67 N 0.68 0.46 -0.87 1.72 -1.24 -0.82 -1.51 115.58 114.00 2juz h ASN 67 Ca 0.17 -0.11 -0.00 0.00 0.71 0.00 0.00 56.30 57.08 2juz h ASN 67 Cb 0.17 -0.12 -0.04 0.00 0.73 0.00 0.00 38.32 39.05 2juz h ASN 67 CO -0.02 0.59 0.54 0.00 -1.29 0.00 0.00 177.43 177.25 2juz h ALA 68 N 1.46 1.10 -0.48 1.57 0.00 -0.42 0.39 119.26 122.88 2juz h ALA 68 Ca 0.09 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2juz h ALA 68 Cb 0.44 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2juz h ALA 68 CO 0.02 0.55 0.20 0.28 0.00 0.00 0.00 179.25 180.30 2juz h VAL 69 N 1.19 1.21 -0.70 0.00 2.07 -0.85 -0.79 116.25 118.38 2juz h VAL 69 Ca 0.31 -0.64 0.03 0.00 0.82 0.00 0.00 66.70 67.23 2juz h VAL 69 Cb -0.08 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 30.38 2juz h VAL 69 CO -0.06 0.24 0.46 0.11 0.02 0.00 0.00 177.57 178.34 2juz h LYS 70 N 0.64 0.82 0.00 1.57 1.57 -0.66 -0.43 116.57 120.08 2juz h LYS 70 Ca 0.16 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.86 2juz h LYS 70 Cb 0.19 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 2juz h LYS 70 CO -0.01 0.54 -0.13 1.15 -0.57 0.00 0.00 179.45 180.43 2juz h THR 71 N 0.85 0.26 -0.03 -0.16 2.02 -0.44 -0.83 112.91 114.58 2juz h THR 71 Ca 0.28 -1.11 -0.07 0.00 0.77 0.00 0.00 66.41 66.28 2juz h THR 71 Cb 0.06 1.90 0.00 0.00 -1.74 0.00 0.00 68.15 68.38 2juz h THR 71 CO -0.08 0.13 -0.23 -0.09 0.37 0.00 0.00 175.52 175.62 2juz h ARG 72 N 0.00 0.21 -0.33 6.66 1.12 0.36 -3.30 114.38 119.10 2juz h ARG 72 Ca -0.00 -0.19 -0.13 0.00 -1.11 0.00 0.00 59.98 58.55 2juz h ARG 72 Cb 0.89 0.04 -0.01 0.00 -0.01 0.00 0.00 29.97 30.89 2juz h ARG 72 CO 0.02 0.86 -0.34 -0.07 -3.11 0.00 0.00 179.97 177.33 2juz h LEU 73 N -0.37 0.77 -7.35 3.80 -0.00 -1.24 -3.31 115.31 107.61 2juz h LEU 73 Ca -0.02 -0.32 -0.71 0.00 -0.00 0.00 0.00 57.88 56.83 2juz h LEU 73 Cb 0.92 -0.21 -0.10 0.00 -0.00 0.00 0.00 40.66 41.26 2juz h LEU 73 CO 0.05 1.04 2.16 1.21 -0.00 0.00 0.00 178.44 182.89 2juz n GLU 74 N -4.06 3.22 -3.95 1.13 2.13 -0.32 -4.86 120.64 113.92 2juz n GLU 74 Ca -0.01 -3.32 -0.31 0.00 0.66 0.00 0.00 57.16 54.18 2juz n GLU 74 Cb 0.50 -3.29 -0.14 0.00 0.27 0.00 0.00 31.44 28.77 2juz n GLU 74 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 2juz s HIS 75 N 3.02 3.44 -0.03 4.31 2.46 -1.25 -4.79 115.29 122.46 2juz s HIS 75 Ca 0.49 -3.04 -0.30 0.00 0.47 0.00 0.00 55.06 52.67 2juz s HIS 75 Cb 0.05 -2.91 -0.05 0.00 -0.13 0.00 0.00 32.58 29.54 2juz s HIS 75 CO 0.02 -0.84 1.39 -1.58 -2.47 0.00 0.00 174.74 171.27 2juz s HIS 76 N 0.24 2.79 -0.29 3.88 2.46 -1.26 -4.98 115.29 118.14 2juz s HIS 76 Ca 0.14 0.81 -0.16 0.00 0.47 0.00 0.00 55.06 56.32 2juz s HIS 76 Cb -0.23 -3.65 0.13 0.00 -0.13 0.00 0.00 32.58 28.70 2juz s HIS 76 CO -0.03 -2.42 0.91 -1.58 -2.47 0.00 0.00 174.74 169.15 2juz s HIS 77 N 2.66 -0.68 0.24 3.88 5.04 -1.26 -5.07 115.29 120.10 2juz s HIS 77 Ca 0.63 1.37 0.00 0.00 -1.54 0.00 0.00 55.06 55.52 2juz s HIS 77 Cb -0.30 0.41 0.00 0.00 0.04 0.00 0.00 32.58 32.73 2juz s HIS 77 CO 0.25 -0.34 0.00 1.58 -2.34 0.00 0.00 174.74 173.89 2juz n HIS 78 N 3.84 -3.59 -3.73 3.88 -0.00 -1.26 -5.17 115.22 109.19 2juz n HIS 78 Ca -0.19 0.83 -0.08 0.00 0.46 0.00 0.00 57.72 58.74 2juz n HIS 78 Cb 0.58 2.30 -0.01 0.00 -0.12 0.00 0.00 29.99 32.74 2juz n HIS 78 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41 2juz n HIS 79 N -2.98 -1.30 0.94 1.57 1.44 -1.26 -5.38 115.22 108.25 2juz n HIS 79 Ca 0.00 -1.30 0.11 0.00 -2.01 0.00 0.00 57.72 54.52 2juz n HIS 79 Cb 0.00 0.40 0.09 0.00 0.12 0.00 0.00 29.99 30.61 2juz n HIS 79 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25