#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 2.37 -0.19 -5.12 0.00 -1.26 -4.95 121.76 112.62 2juz s ALA 2 Ca 0.00 0.36 -0.08 0.00 0.00 0.00 0.00 51.96 52.24 2juz s ALA 2 Cb 0.00 -4.17 -0.04 0.00 0.00 0.00 0.00 23.12 18.91 2juz s ALA 2 CO 0.00 -3.36 0.08 -1.14 0.00 0.00 0.00 175.76 171.34 2juz s GLN 3 N 6.87 4.03 -1.37 0.00 -0.44 -1.26 -5.00 119.66 122.49 2juz s GLN 3 Ca 0.94 -0.31 -0.08 0.00 -2.50 0.00 0.00 55.36 53.41 2juz s GLN 3 Cb -0.25 -3.27 -0.03 0.00 -1.64 0.00 0.00 33.01 27.82 2juz s GLN 3 CO 0.31 0.29 2.83 1.58 0.50 0.00 0.00 175.29 180.80 2juz n HIS 4 N 3.51 2.26 -2.43 1.67 -0.00 -1.26 -4.93 115.22 114.05 2juz n HIS 4 Ca -0.16 -2.85 0.13 0.00 -0.00 0.00 0.00 57.72 54.83 2juz n HIS 4 Cb 0.52 -2.19 -0.03 0.00 -0.00 0.00 0.00 29.99 28.29 2juz n HIS 4 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2juz n SER 5 N 2.83 -7.41 -2.07 0.26 2.88 -1.26 -4.52 113.62 104.34 2juz n SER 5 Ca 0.70 1.04 -0.25 0.00 -1.33 0.00 0.00 58.87 59.03 2juz n SER 5 Cb 0.30 -2.93 0.02 0.00 -0.75 0.00 0.00 64.21 60.85 2juz n SER 5 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2juz n LYS 6 N -3.43 3.53 -2.85 -1.46 4.81 -1.26 -4.98 118.16 112.52 2juz n LYS 6 Ca 0.01 -4.11 -0.07 0.00 -0.87 0.00 0.00 58.31 53.27 2juz n LYS 6 Cb 0.44 -2.28 0.01 0.00 0.02 0.00 0.00 35.03 33.22 2juz n LYS 6 CO 0.00 0.00 0.00 0.98 1.17 0.00 0.00 177.40 179.55 2juz n TYR 7 N -0.72 -3.55 -4.30 5.64 9.36 -1.26 -5.01 117.16 117.32 2juz n TYR 7 Ca 0.45 1.46 -0.33 0.00 3.32 0.00 0.00 57.90 62.80 2juz n TYR 7 Cb 0.93 -4.00 -0.09 0.00 -0.63 0.00 0.00 39.34 35.55 2juz n TYR 7 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 2juz s SER 8 N -2.40 5.12 0.50 2.98 0.15 -1.26 -4.98 113.70 113.80 2juz s SER 8 Ca 0.21 0.00 0.29 0.00 0.70 0.00 0.00 55.95 57.15 2juz s SER 8 Cb -0.06 -1.34 1.14 0.00 -1.71 0.00 0.00 66.02 64.05 2juz s SER 8 CO 0.77 0.29 1.91 -2.24 1.20 0.00 0.00 173.24 175.17 2juz h ASP 9 N 4.43 0.00 0.73 5.45 2.03 -1.98 0.41 116.42 127.48 2juz h ASP 9 Ca -0.49 0.00 -0.26 0.00 -0.73 0.00 0.00 57.03 55.55 2juz h ASP 9 Cb 1.18 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.67 2juz h ASP 9 CO 0.57 0.12 -1.19 0.00 -1.03 0.00 0.00 179.24 177.70 2juz h ALA 10 N 1.88 0.19 -0.33 4.15 0.00 -1.98 -1.03 119.26 122.14 2juz h ALA 10 Ca -0.00 -0.91 -0.01 0.00 0.00 0.00 0.00 54.91 53.98 2juz h ALA 10 Cb 0.62 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 2juz h ALA 10 CO 0.01 1.07 0.16 0.37 0.00 0.00 0.00 179.25 180.87 2juz h GLN 11 N 0.05 0.48 0.05 0.00 4.15 -1.79 -0.05 115.11 118.00 2juz h GLN 11 Ca -0.11 -0.07 0.02 0.00 0.77 0.00 0.00 58.65 59.26 2juz h GLN 11 Cb 1.92 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 29.50 2juz h GLN 11 CO 0.18 0.44 -0.14 1.25 -1.93 0.00 0.00 178.83 178.63 2juz h LEU 12 N 0.40 -0.39 -0.94 -2.39 7.12 -0.94 -2.30 115.31 115.88 2juz h LEU 12 Ca 0.11 0.05 0.09 0.00 0.13 0.00 0.00 57.88 58.26 2juz h LEU 12 Cb 0.11 0.15 -0.07 0.00 -0.53 0.00 0.00 40.66 40.32 2juz h LEU 12 CO -0.01 -0.20 0.58 0.28 -0.13 0.00 0.00 178.44 178.96 2juz h SER 13 N -0.26 0.89 -0.33 1.25 0.02 -0.93 -0.20 113.55 113.99 2juz h SER 13 Ca 0.03 0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 60.98 2juz h SER 13 Cb 0.29 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.66 2juz h SER 13 CO -0.10 0.53 0.10 0.00 -1.14 0.00 0.00 176.83 176.22 2juz h ALA 14 N 1.47 1.43 -0.13 3.77 0.00 -0.72 0.20 119.26 125.27 2juz h ALA 14 Ca 0.43 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 55.07 2juz h ALA 14 Cb 0.30 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2juz h ALA 14 CO -0.21 0.42 -0.36 0.82 0.00 0.00 0.00 179.25 179.91 2juz h ILE 15 N 0.58 1.37 -0.62 0.00 2.04 -0.53 -2.37 117.51 117.98 2juz h ILE 15 Ca 0.14 -1.66 -0.07 0.00 1.00 0.00 0.00 64.86 64.27 2juz h ILE 15 Cb 0.22 2.07 -0.03 0.00 -0.74 0.00 0.00 36.82 38.34 2juz h ILE 15 CO -0.00 0.50 0.12 0.58 0.00 0.00 0.00 178.15 179.35 2juz h VAL 16 N 0.09 1.25 -0.82 1.67 2.07 -0.94 -2.17 116.25 117.39 2juz h VAL 16 Ca -0.01 -0.94 0.07 0.00 0.82 0.00 0.00 66.70 66.65 2juz h VAL 16 Cb 0.98 0.64 -0.06 0.00 -1.52 0.00 0.00 31.29 31.33 2juz h VAL 16 CO 0.08 0.35 0.49 -1.13 0.02 0.00 0.00 177.57 177.38 2juz h ASN 17 N 0.93 0.74 0.71 0.57 -0.73 -0.56 0.42 115.58 117.67 2juz h ASN 17 Ca 0.19 0.03 -0.04 0.00 1.87 0.00 0.00 56.30 58.36 2juz h ASN 17 Cb 0.37 -0.12 0.01 0.00 0.27 0.00 0.00 38.32 38.85 2juz h ASN 17 CO 0.00 0.46 -0.34 -0.78 -0.37 0.00 0.00 177.43 176.40 2juz h ASP 18 N 0.87 -0.81 -0.67 1.15 1.82 -0.99 -1.87 116.42 115.91 2juz h ASP 18 Ca 0.37 0.00 0.11 0.00 -0.39 0.00 0.00 57.03 57.12 2juz h ASP 18 Cb 0.24 0.21 -0.08 0.00 0.68 0.00 0.00 39.33 40.38 2juz h ASP 18 CO -0.20 -0.51 0.27 -0.03 -1.61 0.00 0.00 179.24 177.17 2juz h MET 19 N -1.08 0.44 -0.43 0.28 4.05 -1.04 0.36 114.93 117.51 2juz h MET 19 Ca -0.10 -0.03 -0.00 0.00 -0.28 0.00 0.00 59.70 59.29 2juz h MET 19 Cb 0.76 -0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 31.44 2juz h MET 19 CO 0.16 0.29 0.26 0.82 0.23 0.00 0.00 176.91 178.68 2juz h ILE 20 N 0.46 1.13 -0.25 1.77 2.04 -0.90 0.35 117.51 122.10 2juz h ILE 20 Ca 0.35 -0.29 -0.08 0.00 1.00 0.00 0.00 64.86 65.84 2juz h ILE 20 Cb 0.45 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 37.07 2juz h ILE 20 CO -0.33 0.13 -0.19 0.00 0.00 0.00 0.00 178.15 177.76 2juz h ALA 21 N 1.12 1.20 -0.44 1.87 0.00 -0.25 -0.58 119.26 122.18 2juz h ALA 21 Ca 0.15 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 2juz h ALA 21 Cb -0.01 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2juz h ALA 21 CO -0.03 0.51 -0.04 0.28 0.00 0.00 0.00 179.25 179.98 2juz h VAL 22 N 0.41 1.27 -0.28 0.00 2.07 0.18 -0.64 116.25 119.26 2juz h VAL 22 Ca 0.07 -1.11 -0.11 0.00 0.82 0.00 0.00 66.70 66.37 2juz h VAL 22 Cb 0.57 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 2juz h VAL 22 CO 0.04 0.38 -0.29 -0.07 0.02 0.00 0.00 177.57 177.65 2juz h LEU 23 N 0.63 0.57 -1.71 2.57 4.07 -0.61 -1.30 115.31 119.53 2juz h LEU 23 Ca 0.12 -0.21 -0.04 0.00 0.08 0.00 0.00 57.88 57.83 2juz h LEU 23 Cb 0.55 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 42.12 2juz h LEU 23 CO 0.03 0.84 -0.18 -0.08 -1.08 0.00 0.00 178.44 177.97 2juz h GLU 24 N 0.49 0.00 0.00 1.13 4.57 -0.93 0.22 114.58 120.05 2juz h GLU 24 Ca 0.06 0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.17 2juz h GLU 24 Cb 0.75 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.33 2juz h GLU 24 CO 0.06 0.18 -0.37 -0.22 -1.18 0.00 0.00 179.01 177.48 2juz h LYS 25 N 0.00 0.00 0.01 1.92 3.64 0.03 -3.29 116.57 118.88 2juz h LYS 25 Ca -0.00 0.00 -0.37 0.00 -1.27 0.00 0.00 60.65 59.01 2juz h LYS 25 Cb 0.40 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.16 2juz h LYS 25 CO 0.02 0.37 -2.34 0.72 -2.27 0.00 0.00 179.45 175.96 2juz n HIS 26 N -3.35 0.18 -2.97 1.91 8.25 -0.83 -5.06 115.22 113.36 2juz n HIS 26 Ca 0.01 0.05 -0.11 0.00 -0.26 0.00 0.00 57.72 57.41 2juz n HIS 26 Cb 0.58 -1.03 0.01 0.00 1.12 0.00 0.00 29.99 30.67 2juz n HIS 26 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 2juz n LYS 27 N -3.02 -2.20 -3.83 -0.41 3.00 0.71 -5.02 118.16 107.39 2juz n LYS 27 Ca -0.36 1.95 -0.35 0.00 -0.00 0.00 0.00 58.31 59.55 2juz n LYS 27 Cb 1.08 -5.23 -0.05 0.00 0.00 0.00 0.00 35.03 30.82 2juz n LYS 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2juz s ALA 28 N -2.54 3.89 0.00 3.14 0.00 -1.26 -4.99 121.76 120.00 2juz s ALA 28 Ca 0.23 -0.64 0.00 0.00 0.00 0.00 0.00 51.96 51.55 2juz s ALA 28 Cb -0.06 -1.99 0.00 0.00 0.00 0.00 0.00 23.12 21.07 2juz s ALA 28 CO 0.78 0.67 1.42 -0.35 0.00 0.00 0.00 175.76 178.28 2juz n PRO 29 N 1.32 0.76 0.00 0.00 -0.04 -1.26 -4.79 135.00 130.99 2juz n PRO 29 Ca -0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.32 2juz n PRO 29 Cb 0.53 -1.12 0.00 0.00 -0.04 0.00 0.00 33.50 32.87 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 1.48 0.00 0.28 0.52 0.31 -1.26 -4.54 118.33 115.12 2juz n VAL 30 Ca 0.00 0.00 -0.18 0.00 -0.01 0.00 0.00 64.34 64.15 2juz n VAL 30 Cb 0.38 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 33.21 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 -1.39 0.38 4.52 1.82 -2.01 -0.60 116.42 119.15 2juz h ASP 31 Ca 0.00 0.11 -0.05 0.00 -0.39 0.00 0.00 57.03 56.70 2juz h ASP 31 Cb 0.00 0.46 -0.01 0.00 0.68 0.00 0.00 39.33 40.46 2juz h ASP 31 CO 0.00 -0.66 -0.26 -0.07 -1.61 0.00 0.00 179.24 176.64 2juz h LEU 32 N -0.99 0.00 -0.89 2.28 3.38 -1.93 -2.34 115.31 114.82 2juz h LEU 32 Ca -0.06 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 2juz h LEU 32 Cb 0.87 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.58 2juz h LEU 32 CO -0.08 0.26 0.31 0.28 0.09 0.00 0.00 178.44 179.30 2juz h SER 33 N 0.00 1.03 -0.14 -0.43 0.02 -1.69 -0.10 113.55 112.24 2juz h SER 33 Ca -0.00 -0.15 -0.18 0.00 -0.84 0.00 0.00 61.79 60.62 2juz h SER 33 Cb 0.51 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.79 2juz h SER 33 CO 0.03 0.91 -0.58 -0.07 -1.14 0.00 0.00 176.83 175.99 2juz h LEU 34 N 1.10 0.83 -0.50 5.07 3.38 -0.62 -1.86 115.31 122.72 2juz h LEU 34 Ca 0.26 -0.46 -0.05 0.00 0.09 0.00 0.00 57.88 57.72 2juz h LEU 34 Cb 0.19 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 2juz h LEU 34 CO -0.02 1.23 0.12 0.40 0.09 0.00 0.00 178.44 180.26 2juz h ILE 35 N 0.56 1.24 -0.34 1.22 2.04 -1.08 0.12 117.51 121.28 2juz h ILE 35 Ca 0.00 -0.83 0.00 0.00 1.00 0.00 0.00 64.86 65.03 2juz h ILE 35 Cb 1.16 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 38.06 2juz h ILE 35 CO 0.12 0.30 0.21 0.00 0.00 0.00 0.00 178.15 178.78 2juz h ALA 36 N 0.99 0.43 -0.87 1.87 0.00 -1.00 -1.14 119.26 119.54 2juz h ALA 36 Ca 0.16 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.05 2juz h ALA 36 Cb 0.32 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 2juz h ALA 36 CO 0.00 -0.09 0.56 1.25 0.00 0.00 0.00 179.25 180.98 2juz h LEU 37 N 0.45 0.94 0.32 0.00 5.85 -1.04 0.18 115.31 122.00 2juz h LEU 37 Ca 0.12 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 2juz h LEU 37 Cb -0.02 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 40.80 2juz h LEU 37 CO -0.02 0.66 -0.16 1.23 -0.34 0.00 0.00 178.44 179.80 2juz h GLY 38 N 1.11 -0.46 1.02 3.75 0.00 -0.32 0.27 103.07 108.43 2juz h GLY 38 Ca 0.34 0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.84 2juz h GLY 38 CO -0.11 -0.17 0.51 3.43 0.00 0.00 0.00 176.54 180.20 2juz h ASN 39 N -0.44 1.04 0.31 0.19 2.35 -0.95 -1.85 115.58 116.23 2juz h ASN 39 Ca -0.04 -0.07 -0.02 0.00 -0.55 0.00 0.00 56.30 55.62 2juz h ASN 39 Cb 0.35 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.46 2juz h ASN 39 CO 0.06 0.81 -0.15 -0.03 -1.65 0.00 0.00 177.43 176.47 2juz h MET 40 N 1.18 -0.41 -0.22 0.81 4.05 -0.42 -1.65 114.93 118.28 2juz h MET 40 Ca 0.31 0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 59.75 2juz h MET 40 Cb -0.03 0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 30.85 2juz h MET 40 CO -0.06 -0.13 0.11 0.00 0.23 0.00 0.00 176.91 177.06 2juz h ALA 41 N -0.05 0.28 -0.72 0.39 0.00 -0.42 -2.60 119.26 116.13 2juz h ALA 41 Ca -0.04 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 2juz h ALA 41 Cb 0.46 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 2juz h ALA 41 CO 0.07 -0.17 0.24 1.03 0.00 0.00 0.00 179.25 180.43 2juz h SER 42 N 0.23 1.04 -0.44 0.00 0.87 -1.39 -2.07 113.55 111.79 2juz h SER 42 Ca 0.08 -0.20 0.01 0.00 -1.23 0.00 0.00 61.79 60.44 2juz h SER 42 Cb 0.10 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 61.77 2juz h SER 42 CO -0.01 0.96 0.29 -1.13 -0.53 0.00 0.00 176.83 176.41 2juz h ASN 43 N 1.06 0.49 -0.16 6.23 -0.73 -1.09 -0.90 115.58 120.49 2juz h ASN 43 Ca 0.24 -0.01 -0.14 0.00 1.87 0.00 0.00 56.30 58.25 2juz h ASN 43 Cb 0.28 -0.12 -0.01 0.00 0.27 0.00 0.00 38.32 38.74 2juz h ASN 43 CO -0.01 0.35 -0.39 -0.07 -0.37 0.00 0.00 177.43 176.94 2juz h LEU 44 N 0.58 0.73 -0.21 0.34 3.38 -1.31 -2.81 115.31 116.02 2juz h LEU 44 Ca 0.16 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.81 2juz h LEU 44 Cb -0.05 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.49 2juz h LEU 44 CO -0.04 1.04 0.00 0.18 0.09 0.00 0.00 178.44 179.71 2juz n LEU 45 N -4.04 0.54 -0.82 1.67 4.77 -0.79 -1.67 117.00 116.66 2juz n LEU 45 Ca -0.02 0.58 0.07 0.00 -0.03 0.00 0.00 56.01 56.62 2juz n LEU 45 Cb 0.52 -0.45 0.19 0.00 -2.33 0.00 0.00 43.42 41.35 2juz n LEU 45 CO 0.46 -0.27 0.65 0.35 -1.33 0.00 0.00 177.39 177.25 2juz n THR 46 N -2.04 0.87 0.00 -5.08 -2.24 -0.38 -4.48 114.28 100.92 2juz n THR 46 Ca 0.05 -0.93 0.00 0.00 -2.27 0.00 0.00 64.05 60.89 2juz n THR 46 Cb 0.33 0.61 0.00 0.00 -2.10 0.00 0.00 70.33 69.16 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 0.86 0.00 -0.08 4.28 -2.24 -1.08 -4.92 114.28 111.09 2juz n THR 47 Ca 0.15 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.83 2juz n THR 47 Cb 0.47 -0.84 -0.05 0.00 -2.10 0.00 0.00 70.33 67.81 2juz n THR 47 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 2juz h SER 48 N 0.00 0.00 -4.34 3.42 0.87 -1.58 -3.48 113.55 108.44 2juz h SER 48 Ca 0.00 -0.24 -0.50 0.00 -1.23 0.00 0.00 61.79 59.83 2juz h SER 48 Cb 0.68 0.00 0.10 0.00 -0.44 0.00 0.00 62.40 62.74 2juz h SER 48 CO 0.00 0.95 0.37 0.68 -0.53 0.00 0.00 176.83 178.29 2juz s VAL 49 N -2.16 3.56 -0.31 2.23 -7.23 -1.26 -4.91 120.40 110.33 2juz s VAL 49 Ca -0.17 0.51 -0.41 0.00 -1.81 0.00 0.00 61.98 60.10 2juz s VAL 49 Cb 0.02 -3.31 -0.16 0.00 0.56 0.00 0.00 36.38 33.50 2juz s VAL 49 CO 0.33 -0.66 1.75 -2.65 -0.31 0.00 0.00 175.10 173.56 2juz n PRO 50 N -3.22 1.02 0.26 4.82 -0.02 -1.26 -4.81 135.00 131.80 2juz n PRO 50 Ca 0.07 0.37 0.15 0.00 -2.02 0.00 0.00 63.50 62.08 2juz n PRO 50 Cb 0.55 -2.05 0.61 0.00 -0.02 0.00 0.00 33.50 32.59 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 7.17 0.00 0.00 -0.52 4.20 -1.91 -0.24 115.11 123.81 2juz h GLN 51 Ca -0.45 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.26 2juz h GLN 51 Cb 1.32 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.10 2juz h GLN 51 CO 0.97 0.06 -0.24 0.25 -0.67 0.00 0.00 178.83 179.19 2juz n THR 52 N -3.18 0.47 0.24 -0.54 -2.24 -1.26 -3.11 114.28 104.67 2juz n THR 52 Ca 0.01 -0.27 0.08 0.00 -2.27 0.00 0.00 64.05 61.60 2juz n THR 52 Cb 0.35 -0.39 0.14 0.00 -2.10 0.00 0.00 70.33 68.32 2juz n THR 52 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2juz n GLN 53 N -2.17 1.98 -0.21 -0.78 6.02 -0.21 -4.59 117.38 117.42 2juz n GLN 53 Ca 0.05 -1.85 0.01 0.00 -0.01 0.00 0.00 57.00 55.19 2juz n GLN 53 Cb 0.43 -1.35 0.12 0.00 1.02 0.00 0.00 30.24 30.46 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 0.41 0.58 -0.34 0.00 5.08 -1.82 0.14 114.58 118.63 2juz h GLU 55 Ca 0.32 -0.13 -0.12 0.00 -1.00 0.00 0.00 59.36 58.43 2juz h GLU 55 Cb 0.41 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 2juz h GLU 55 CO -0.32 0.60 -0.25 0.00 -1.00 0.00 0.00 179.01 178.04 2juz h ALA 56 N 0.96 0.49 -0.33 3.43 0.00 -1.68 -1.56 119.26 120.56 2juz h ALA 56 Ca 0.12 -0.39 -0.13 0.00 0.00 0.00 0.00 54.91 54.52 2juz h ALA 56 Cb 0.27 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2juz h ALA 56 CO -0.00 0.48 -0.31 -0.07 0.00 0.00 0.00 179.25 179.35 2juz h LEU 57 N 0.54 0.73 -0.46 0.00 3.38 -0.43 0.32 115.31 119.38 2juz h LEU 57 Ca 0.06 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 57.73 2juz h LEU 57 Cb 0.81 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 2juz h LEU 57 CO 0.07 0.98 0.23 0.00 0.09 0.00 0.00 178.44 179.81 2juz h ALA 58 N 1.06 0.59 -0.54 1.53 0.00 -0.88 0.10 119.26 121.13 2juz h ALA 58 Ca 0.07 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.88 2juz h ALA 58 Cb 0.82 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 2juz h ALA 58 CO 0.07 0.15 0.35 1.96 0.00 0.00 0.00 179.25 181.78 2juz h GLN 59 N 0.60 0.68 -0.58 0.00 1.08 -0.99 0.44 115.11 116.34 2juz h GLN 59 Ca 0.16 -0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 57.31 2juz h GLN 59 Cb 0.11 -0.15 -0.03 0.00 -0.05 0.00 0.00 27.48 27.36 2juz h GLN 59 CO -0.02 0.45 0.33 0.00 -0.95 0.00 0.00 178.83 178.64 2juz h ALA 60 N 1.21 0.74 0.43 3.87 0.00 -0.57 -0.10 119.26 124.84 2juz h ALA 60 Ca 0.20 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 2juz h ALA 60 Cb -0.06 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.50 2juz h ALA 60 CO -0.06 0.25 -0.20 0.35 0.00 0.00 0.00 179.25 179.59 2juz h PHE 61 N 0.79 -0.53 -0.30 0.00 3.57 -0.48 -2.06 116.94 117.93 2juz h PHE 61 Ca 0.21 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 2juz h PHE 61 Cb 0.02 0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.92 2juz h PHE 61 CO -0.02 -0.23 0.14 0.66 -2.23 0.00 0.00 178.31 176.63 2juz h SER 62 N -0.78 0.39 -0.01 0.41 4.64 -0.86 -2.19 113.55 115.14 2juz h SER 62 Ca -0.06 -0.12 -0.02 0.00 -0.47 0.00 0.00 61.79 61.12 2juz h SER 62 Cb 0.54 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.52 2juz h SER 62 CO 0.10 0.40 -0.03 0.78 -0.87 0.00 0.00 176.83 177.21 2juz h ASN 63 N 0.34 0.10 -0.33 4.97 2.35 -1.06 0.20 115.58 122.15 2juz h ASN 63 Ca 0.10 -0.01 -0.08 0.00 -0.55 0.00 0.00 56.30 55.76 2juz h ASN 63 Cb 0.12 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.44 2juz h ASN 63 CO -0.01 0.16 -0.08 -1.28 -1.65 0.00 0.00 177.43 174.57 2juz h SER 64 N 0.11 0.72 -0.23 5.81 0.87 -0.77 0.18 113.55 120.25 2juz h SER 64 Ca 0.03 -0.20 -0.20 0.00 -1.23 0.00 0.00 61.79 60.19 2juz h SER 64 Cb 0.13 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 61.90 2juz h SER 64 CO 0.01 0.84 -0.62 -0.07 -0.53 0.00 0.00 176.83 176.45 2juz h LEU 65 N 0.68 0.96 -0.37 2.23 -0.00 -0.60 -1.68 115.31 116.53 2juz h LEU 65 Ca 0.12 -0.55 0.00 0.00 -0.00 0.00 0.00 57.88 57.45 2juz h LEU 65 Cb 0.53 -0.28 -0.02 0.00 -0.00 0.00 0.00 40.66 40.90 2juz h LEU 65 CO 0.03 1.35 0.23 0.40 -0.00 0.00 0.00 178.44 180.45 2juz h ILE 66 N 0.62 1.11 -0.34 1.22 1.08 -0.31 -0.18 117.51 120.71 2juz h ILE 66 Ca -0.01 -0.24 -0.04 0.00 -0.39 0.00 0.00 64.86 64.19 2juz h ILE 66 Cb 1.24 0.60 -0.02 0.00 -3.07 0.00 0.00 36.82 35.57 2juz h ILE 66 CO 0.13 0.11 0.05 -1.13 -0.69 0.00 0.00 178.15 176.63 2juz h ASN 67 N 0.49 0.47 -0.65 1.72 -1.24 -0.66 -0.97 115.58 114.74 2juz h ASN 67 Ca 0.13 -0.07 -0.05 0.00 0.71 0.00 0.00 56.30 57.03 2juz h ASN 67 Cb -0.02 -0.12 -0.03 0.00 0.73 0.00 0.00 38.32 38.88 2juz h ASN 67 CO -0.03 0.50 0.23 0.00 -1.29 0.00 0.00 177.43 176.85 2juz h ALA 68 N 1.57 0.85 -0.75 1.57 0.00 -0.52 -0.97 119.26 121.00 2juz h ALA 68 Ca 0.11 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 2juz h ALA 68 Cb 0.24 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 2juz h ALA 68 CO 0.00 0.50 0.37 0.28 0.00 0.00 0.00 179.25 180.41 2juz h VAL 69 N 0.94 1.24 -0.81 0.00 2.07 -0.22 0.83 116.25 120.29 2juz h VAL 69 Ca 0.21 -0.65 0.01 0.00 0.82 0.00 0.00 66.70 67.10 2juz h VAL 69 Cb 0.25 0.29 -0.04 0.00 -1.52 0.00 0.00 31.29 30.27 2juz h VAL 69 CO -0.01 0.28 0.54 0.11 0.02 0.00 0.00 177.57 178.50 2juz h LYS 70 N 1.05 1.06 -0.06 1.57 1.79 -0.80 0.40 116.57 121.57 2juz h LYS 70 Ca 0.26 -0.06 -0.15 0.00 -2.18 0.00 0.00 60.65 58.52 2juz h LYS 70 Cb 0.10 -0.24 -0.01 0.00 -1.58 0.00 0.00 32.23 30.50 2juz h LYS 70 CO -0.03 0.70 -0.62 1.15 -1.08 0.00 0.00 179.45 179.56 2juz h THR 71 N 1.09 1.39 0.00 -0.16 2.02 -0.73 -1.45 112.91 115.07 2juz h THR 71 Ca 0.30 -2.02 0.00 0.00 0.77 0.00 0.00 66.41 65.46 2juz h THR 71 Cb -0.11 2.03 0.00 0.00 -1.74 0.00 0.00 68.15 68.33 2juz h THR 71 CO -0.07 0.60 0.00 0.03 0.37 0.00 0.00 175.52 176.45 2juz h ARG 72 N 0.17 0.00 0.00 6.66 2.47 -0.27 -3.29 114.38 120.12 2juz h ARG 72 Ca -0.01 0.00 -0.14 0.00 -1.26 0.00 0.00 59.98 58.57 2juz h ARG 72 Cb 1.13 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.43 2juz h ARG 72 CO 0.10 0.00 -0.79 1.25 0.56 0.00 0.00 179.97 181.08 2juz h LEU 73 N 0.00 0.00 -9.10 3.04 5.85 -0.66 -3.45 115.31 110.99 2juz h LEU 73 Ca 0.00 -0.56 -0.58 0.00 0.84 0.00 0.00 57.88 57.57 2juz h LEU 73 Cb 0.73 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 41.70 2juz h LEU 73 CO 0.00 1.24 0.62 -0.70 -0.34 0.00 0.00 178.44 179.26 2juz s GLU 74 N -2.27 4.26 0.00 1.25 2.12 -0.57 -4.95 118.70 118.53 2juz s GLU 74 Ca -0.23 1.19 0.00 0.00 0.36 0.00 0.00 54.97 56.29 2juz s GLU 74 Cb 0.03 -3.62 0.00 0.00 0.26 0.00 0.00 34.13 30.80 2juz s GLU 74 CO 0.55 -0.52 0.00 0.72 -0.54 0.00 0.00 175.26 175.47 2juz n HIS 75 N 5.93 0.00 -3.91 5.30 8.25 -1.26 -4.77 115.22 124.76 2juz n HIS 75 Ca 0.09 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.21 2juz n HIS 75 Cb 0.47 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.53 2juz n HIS 75 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2juz s HIS 76 N 0.84 3.55 -0.50 4.41 3.76 -1.26 -5.06 115.29 121.04 2juz s HIS 76 Ca 0.00 0.37 -0.26 0.00 -0.15 0.00 0.00 55.06 55.02 2juz s HIS 76 Cb 0.00 -1.83 0.03 0.00 1.11 0.00 0.00 32.58 31.89 2juz s HIS 76 CO 0.00 0.65 0.99 -3.38 -0.85 0.00 0.00 174.74 172.15 2juz s HIS 77 N -1.30 2.84 -0.21 1.40 -3.43 -1.26 -4.85 115.29 108.48 2juz s HIS 77 Ca 0.26 0.34 -0.02 0.00 -0.80 0.00 0.00 55.06 54.84 2juz s HIS 77 Cb -0.13 -4.12 -0.12 0.00 -1.43 0.00 0.00 32.58 26.78 2juz s HIS 77 CO 0.18 -1.24 -0.22 1.58 -2.00 0.00 0.00 174.74 173.04 2juz n HIS 78 N 7.48 0.00 1.57 0.38 -0.00 -1.26 -4.53 115.22 118.85 2juz n HIS 78 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.78 2juz n HIS 78 Cb 0.48 -0.81 0.00 0.00 -0.00 0.00 0.00 29.99 29.67 2juz n HIS 78 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 2juz n HIS 79 N -3.39 0.00 -1.31 1.57 1.44 -1.26 -5.33 115.22 106.93 2juz n HIS 79 Ca -0.39 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.32 2juz n HIS 79 Cb 0.87 -0.04 0.00 0.00 0.12 0.00 0.00 29.99 30.94 2juz n HIS 79 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11