#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2juz n ALA 2 N 0.00 1.40 -2.49 -5.12 0.00 -1.26 -4.99 120.51 108.05 2juz n ALA 2 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 2juz n ALA 2 Cb 0.00 0.10 -0.03 0.00 0.00 0.00 0.00 19.45 19.52 2juz n ALA 2 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 2juz s GLN 3 N -1.40 3.33 -0.80 0.00 0.74 -1.26 -4.94 119.66 115.34 2juz s GLN 3 Ca 0.00 0.22 -0.25 0.00 0.05 0.00 0.00 55.36 55.38 2juz s GLN 3 Cb 0.00 -4.10 -0.05 0.00 1.10 0.00 0.00 33.01 29.95 2juz s GLN 3 CO 0.00 -1.92 2.00 -3.38 -0.55 0.00 0.00 175.29 171.45 2juz s HIS 4 N 5.66 1.66 -0.19 1.67 -3.43 -1.26 -4.88 115.29 114.52 2juz s HIS 4 Ca 0.45 0.88 -0.04 0.00 -0.80 0.00 0.00 55.06 55.55 2juz s HIS 4 Cb -0.09 -3.96 0.09 0.00 -1.43 0.00 0.00 32.58 27.20 2juz s HIS 4 CO 0.23 -1.89 0.28 0.45 -2.00 0.00 0.00 174.74 171.81 2juz s SER 5 N 8.59 0.68 0.00 7.38 0.15 -1.26 -4.66 113.70 124.58 2juz s SER 5 Ca 0.73 0.21 0.00 0.00 0.70 0.00 0.00 55.95 57.60 2juz s SER 5 Cb -0.09 0.72 0.00 0.00 -1.71 0.00 0.00 66.02 64.93 2juz s SER 5 CO 0.06 -0.29 0.00 0.29 1.20 0.00 0.00 173.24 174.51 2juz n LYS 6 N 5.34 0.00 -0.10 5.44 5.02 -1.26 -4.82 118.16 127.78 2juz n LYS 6 Ca -0.05 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 56.06 2juz n LYS 6 Cb 0.50 -0.43 -0.08 0.00 -0.02 0.00 0.00 35.03 34.99 2juz n LYS 6 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2juz n TYR 7 N -0.55 0.74 -3.32 2.13 4.01 -1.26 -5.00 117.16 113.90 2juz n TYR 7 Ca 0.00 0.32 0.02 0.00 -0.16 0.00 0.00 57.90 58.08 2juz n TYR 7 Cb 0.00 -0.95 -0.04 0.00 -0.31 0.00 0.00 39.34 38.04 2juz n TYR 7 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2juz s SER 8 N -6.61 -0.34 0.55 7.72 0.15 -1.26 -4.98 113.70 108.93 2juz s SER 8 Ca -0.27 0.47 0.34 0.00 0.70 0.00 0.00 55.95 57.19 2juz s SER 8 Cb 0.06 1.37 1.40 0.00 -1.71 0.00 0.00 66.02 67.15 2juz s SER 8 CO 0.47 -0.07 2.00 -2.24 1.20 0.00 0.00 173.24 174.60 2juz h ASP 9 N 7.17 0.00 0.47 5.45 2.03 -1.92 -0.59 116.42 129.03 2juz h ASP 9 Ca -0.15 0.00 -0.26 0.00 -0.73 0.00 0.00 57.03 55.88 2juz h ASP 9 Cb 1.12 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 39.63 2juz h ASP 9 CO 0.08 0.00 -1.16 0.00 -1.03 0.00 0.00 179.24 177.13 2juz h ALA 10 N 2.01 0.16 -0.65 4.15 0.00 -1.95 -2.73 119.26 120.25 2juz h ALA 10 Ca 0.00 -0.81 -0.06 0.00 0.00 0.00 0.00 54.91 54.03 2juz h ALA 10 Cb 0.49 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 2juz h ALA 10 CO 0.00 0.88 0.15 0.37 0.00 0.00 0.00 179.25 180.65 2juz h GLN 11 N 0.15 1.02 0.36 0.00 4.15 -1.76 -2.43 115.11 116.60 2juz h GLN 11 Ca -0.13 -0.24 -0.01 0.00 0.77 0.00 0.00 58.65 59.05 2juz h GLN 11 Cb 1.85 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 29.39 2juz h GLN 11 CO 0.20 0.91 -0.25 1.25 -1.93 0.00 0.00 178.83 179.01 2juz h LEU 12 N 0.98 -0.64 -1.46 -2.39 5.85 -1.09 -2.08 115.31 114.47 2juz h LEU 12 Ca 0.21 0.04 0.12 0.00 0.84 0.00 0.00 57.88 59.09 2juz h LEU 12 Cb 0.35 0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.53 2juz h LEU 12 CO 0.00 -0.39 0.50 0.77 -0.34 0.00 0.00 178.44 178.99 2juz h SER 13 N -0.60 0.52 -0.38 1.25 4.64 -1.40 -0.93 113.55 116.65 2juz h SER 13 Ca -0.03 0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 61.29 2juz h SER 13 Cb 0.51 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 62.50 2juz h SER 13 CO 0.01 0.29 0.18 0.00 -0.87 0.00 0.00 176.83 176.44 2juz h ALA 14 N 1.63 0.49 -0.50 5.18 0.00 -0.98 0.21 119.26 125.30 2juz h ALA 14 Ca 0.37 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 2juz h ALA 14 Cb 0.64 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 2juz h ALA 14 CO -0.13 0.06 0.15 0.82 0.00 0.00 0.00 179.25 180.14 2juz h ILE 15 N 0.47 1.23 0.00 0.00 2.04 -0.53 -0.22 117.51 120.50 2juz h ILE 15 Ca 0.13 -0.79 -0.09 0.00 1.00 0.00 0.00 64.86 65.11 2juz h ILE 15 Cb 0.13 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 2juz h ILE 15 CO -0.02 0.29 -0.44 0.58 0.00 0.00 0.00 178.15 178.56 2juz h VAL 16 N 0.68 1.07 -0.12 1.67 2.07 -1.17 -2.50 116.25 117.95 2juz h VAL 16 Ca 0.16 -1.65 -0.17 0.00 0.82 0.00 0.00 66.70 65.86 2juz h VAL 16 Cb 0.29 1.96 -0.01 0.00 -1.52 0.00 0.00 31.29 32.01 2juz h VAL 16 CO -0.00 0.43 -0.63 -1.13 0.02 0.00 0.00 177.57 176.25 2juz h ASN 17 N 0.00 0.52 -0.62 0.57 -1.24 -0.07 -2.50 115.58 112.24 2juz h ASN 17 Ca -0.00 -0.30 -0.04 0.00 0.71 0.00 0.00 56.30 56.66 2juz h ASN 17 Cb 0.92 -0.15 -0.03 0.00 0.73 0.00 0.00 38.32 39.79 2juz h ASN 17 CO 0.06 1.02 0.24 0.44 -1.29 0.00 0.00 177.43 177.90 2juz h ASP 18 N 0.33 0.86 -0.56 1.15 5.19 -0.80 -2.04 116.42 120.55 2juz h ASP 18 Ca -0.01 -0.18 0.11 0.00 -0.62 0.00 0.00 57.03 56.33 2juz h ASP 18 Cb 1.18 -0.22 -0.09 0.00 0.18 0.00 0.00 39.33 40.38 2juz h ASP 18 CO 0.11 0.80 0.06 0.24 -3.12 0.00 0.00 179.24 177.34 2juz h MET 19 N 0.87 0.18 -0.82 3.56 2.86 -1.19 0.45 114.93 120.84 2juz h MET 19 Ca 0.21 -0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.84 2juz h MET 19 Cb 0.22 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 31.79 2juz h MET 19 CO -0.02 0.12 0.54 0.82 1.06 0.00 0.00 176.91 179.44 2juz h ILE 20 N 0.19 1.21 0.16 -1.22 2.04 -1.08 0.29 117.51 119.09 2juz h ILE 20 Ca 0.29 -0.38 -0.01 0.00 1.00 0.00 0.00 64.86 65.76 2juz h ILE 20 Cb 0.43 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.52 2juz h ILE 20 CO -0.42 0.20 -0.08 0.00 0.00 0.00 0.00 178.15 177.86 2juz h ALA 21 N 1.30 -0.21 -0.96 1.87 0.00 -0.48 -1.80 119.26 118.98 2juz h ALA 21 Ca 0.30 -0.16 0.11 0.00 0.00 0.00 0.00 54.91 55.16 2juz h ALA 21 Cb -0.12 0.08 -0.08 0.00 0.00 0.00 0.00 17.79 17.67 2juz h ALA 21 CO -0.07 -0.47 0.60 0.28 0.00 0.00 0.00 179.25 179.59 2juz h VAL 22 N -0.51 0.93 -0.47 0.00 2.07 0.11 0.12 116.25 118.50 2juz h VAL 22 Ca -0.02 -0.33 -0.12 0.00 0.82 0.00 0.00 66.70 67.05 2juz h VAL 22 Cb 0.40 -0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.03 2juz h VAL 22 CO 0.04 0.18 -0.17 0.25 0.02 0.00 0.00 177.57 177.88 2juz h LEU 23 N 0.96 0.92 -0.17 2.57 5.85 -0.91 -3.27 115.31 121.26 2juz h LEU 23 Ca 0.47 -0.32 -0.15 0.00 0.84 0.00 0.00 57.88 58.72 2juz h LEU 23 Cb 0.44 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.22 2juz h LEU 23 CO -0.26 1.08 -0.48 -0.08 -0.34 0.00 0.00 178.44 178.36 2juz h GLU 24 N 0.80 0.63 0.23 1.25 4.81 -0.15 -0.78 114.58 121.37 2juz h GLU 24 Ca 0.12 -0.45 0.01 0.00 -0.13 0.00 0.00 59.36 58.91 2juz h GLU 24 Cb 0.72 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.14 2juz h GLU 24 CO 0.05 1.07 -0.35 0.87 -0.73 0.00 0.00 179.01 179.93 2juz h LYS 25 N 0.30 -0.62 0.00 1.92 6.56 -1.11 -1.83 116.57 121.79 2juz h LYS 25 Ca -0.01 0.04 0.00 0.00 -1.06 0.00 0.00 60.65 59.62 2juz h LYS 25 Cb 1.10 0.14 0.00 0.00 -0.57 0.00 0.00 32.23 32.90 2juz h LYS 25 CO 0.10 -0.42 0.00 1.25 -2.06 0.00 0.00 179.45 178.33 2juz h HIS 26 N -0.65 0.00 -5.57 -1.35 2.76 -1.67 -3.48 115.15 105.20 2juz h HIS 26 Ca 0.00 0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 58.09 2juz h HIS 26 Cb 0.63 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.59 2juz h HIS 26 CO -0.25 0.00 -0.52 1.17 -1.30 0.00 0.00 177.93 177.02 2juz n LYS 27 N -2.80 -2.03 -3.55 5.26 4.81 -0.34 -4.98 118.16 114.53 2juz n LYS 27 Ca 0.04 1.81 -0.38 0.00 -0.87 0.00 0.00 58.31 58.91 2juz n LYS 27 Cb 0.47 -5.00 -0.11 0.00 0.02 0.00 0.00 35.03 30.42 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 -2.56 3.54 0.91 3.14 0.00 -0.96 -5.04 121.76 120.79 2juz s ALA 28 Ca 0.20 -1.02 -0.11 0.00 0.00 0.00 0.00 51.96 51.03 2juz s ALA 28 Cb -0.05 -2.53 0.14 0.00 0.00 0.00 0.00 23.12 20.69 2juz s ALA 28 CO 0.79 -0.56 1.10 -1.25 0.00 0.00 0.00 175.76 175.84 2juz s PRO 29 N 1.81 1.08 0.57 0.00 0.04 -1.26 -4.61 135.00 132.62 2juz s PRO 29 Ca 0.09 1.17 0.27 0.00 0.04 0.00 0.00 61.00 62.57 2juz s PRO 29 Cb -0.16 -1.76 1.52 0.00 0.04 0.00 0.00 34.50 34.14 2juz s PRO 29 CO 0.11 -2.47 2.03 -0.39 0.04 0.00 0.00 177.00 176.32 2juz h VAL 30 N -1.73 0.55 0.39 -0.36 -1.51 -1.98 0.12 116.25 111.73 2juz h VAL 30 Ca -0.48 0.00 -0.02 0.00 -1.23 0.00 0.00 66.70 64.98 2juz h VAL 30 Cb 1.27 0.77 0.00 0.00 -2.13 0.00 0.00 31.29 31.20 2juz h VAL 30 CO 0.48 0.00 -0.19 0.44 -1.23 0.00 0.00 177.57 177.08 2juz h ASP 31 N 0.00 -0.44 -0.01 4.19 5.19 -1.99 -1.61 116.42 121.74 2juz h ASP 31 Ca 0.16 0.02 -0.09 0.00 -0.62 0.00 0.00 57.03 56.49 2juz h ASP 31 Cb 0.77 0.11 -0.01 0.00 0.18 0.00 0.00 39.33 40.38 2juz h ASP 31 CO -0.00 -0.26 -0.26 -0.07 -3.12 0.00 0.00 179.24 175.53 2juz h LEU 32 N -0.63 0.42 -0.61 1.55 3.38 -1.81 -2.53 115.31 115.08 2juz h LEU 32 Ca -0.05 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.73 2juz h LEU 32 Cb 0.40 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 2juz h LEU 32 CO 0.09 0.68 0.21 -1.28 0.09 0.00 0.00 178.44 178.23 2juz h SER 33 N 0.37 0.87 -0.59 -0.43 0.87 -0.85 -0.41 113.55 113.38 2juz h SER 33 Ca 0.06 -0.19 -0.10 0.00 -1.23 0.00 0.00 61.79 60.32 2juz h SER 33 Cb 0.65 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 62.37 2juz h SER 33 CO 0.05 0.83 -0.02 0.25 -0.53 0.00 0.00 176.83 177.40 2juz h LEU 34 N 0.86 1.04 -0.52 2.23 6.46 -1.03 -0.68 115.31 123.66 2juz h LEU 34 Ca 0.20 -0.32 -0.08 0.00 -0.12 0.00 0.00 57.88 57.56 2juz h LEU 34 Cb 0.25 -0.28 -0.02 0.00 -0.73 0.00 0.00 40.66 39.88 2juz h LEU 34 CO -0.01 1.10 0.02 0.40 -0.62 0.00 0.00 178.44 179.34 2juz h ILE 35 N 0.94 1.26 -0.18 4.05 2.04 -1.21 0.33 117.51 124.75 2juz h ILE 35 Ca 0.16 -1.06 0.00 0.00 1.00 0.00 0.00 64.86 64.97 2juz h ILE 35 Cb 0.59 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.57 2juz h ILE 35 CO 0.03 0.38 0.12 0.00 0.00 0.00 0.00 178.15 178.68 2juz h ALA 36 N 0.96 0.23 -0.72 1.87 0.00 -0.86 0.18 119.26 120.91 2juz h ALA 36 Ca 0.15 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 2juz h ALA 36 Cb 0.49 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 2juz h ALA 36 CO 0.02 -0.29 0.35 -0.07 0.00 0.00 0.00 179.25 179.27 2juz h LEU 37 N 0.25 0.94 -0.03 0.00 3.38 -0.90 -0.39 115.31 118.55 2juz h LEU 37 Ca 0.07 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 2juz h LEU 37 Cb -0.03 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.48 2juz h LEU 37 CO -0.01 0.80 0.02 1.23 0.09 0.00 0.00 178.44 180.57 2juz h GLY 38 N 1.01 0.05 1.01 0.83 0.00 0.05 0.38 103.07 106.40 2juz h GLY 38 Ca 0.25 -0.02 0.01 0.00 0.00 0.00 0.00 47.33 47.56 2juz h GLY 38 CO -0.03 0.02 0.44 -0.57 0.00 0.00 0.00 176.54 176.40 2juz h ASN 39 N -0.04 0.78 0.10 0.19 -1.24 -0.53 -1.67 115.58 113.17 2juz h ASN 39 Ca 0.01 -0.03 -0.00 0.00 0.71 0.00 0.00 56.30 56.99 2juz h ASN 39 Cb 0.09 -0.20 0.00 0.00 0.73 0.00 0.00 38.32 38.95 2juz h ASN 39 CO -0.00 0.57 -0.05 -0.03 -1.29 0.00 0.00 177.43 176.64 2juz h MET 40 N 0.92 -0.13 -0.33 6.67 4.05 -0.85 -2.40 114.93 122.86 2juz h MET 40 Ca 0.25 0.01 0.01 0.00 -0.28 0.00 0.00 59.70 59.69 2juz h MET 40 Cb -0.10 0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 30.71 2juz h MET 40 CO -0.05 0.16 0.20 0.00 0.23 0.00 0.00 176.91 177.44 2juz h ALA 41 N 0.44 0.42 -0.35 0.39 0.00 -0.12 0.24 119.26 120.28 2juz h ALA 41 Ca -0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2juz h ALA 41 Cb 0.35 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2juz h ALA 41 CO 0.02 -0.16 0.21 0.66 0.00 0.00 0.00 179.25 179.98 2juz h SER 42 N 0.40 0.43 -0.34 0.00 4.64 -1.36 -0.28 113.55 117.04 2juz h SER 42 Ca 0.13 -0.06 0.02 0.00 -0.47 0.00 0.00 61.79 61.41 2juz h SER 42 Cb 0.00 -0.11 -0.03 0.00 -0.31 0.00 0.00 62.40 61.96 2juz h SER 42 CO -0.06 0.37 0.18 -1.13 -0.87 0.00 0.00 176.83 175.31 2juz h ASN 43 N 0.45 0.27 -0.19 4.97 -1.24 -1.01 -2.22 115.58 116.61 2juz h ASN 43 Ca 0.13 0.01 0.02 0.00 0.71 0.00 0.00 56.30 57.17 2juz h ASN 43 Cb 0.02 -0.04 -0.02 0.00 0.73 0.00 0.00 38.32 39.01 2juz h ASN 43 CO -0.02 0.20 0.04 -0.07 -1.29 0.00 0.00 177.43 176.29 2juz h LEU 44 N 0.36 0.02 -1.53 0.34 4.07 -0.10 -1.49 115.31 116.99 2juz h LEU 44 Ca 0.14 0.03 -0.04 0.00 0.08 0.00 0.00 57.88 58.08 2juz h LEU 44 Cb 0.04 0.03 -0.01 0.00 1.08 0.00 0.00 40.66 41.80 2juz h LEU 44 CO -0.09 0.04 -0.15 -0.07 -1.08 0.00 0.00 178.44 177.09 2juz h LEU 45 N 0.12 0.10 -2.42 1.67 3.38 -0.92 0.53 115.31 117.78 2juz h LEU 45 Ca 0.08 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2juz h LEU 45 Cb 0.07 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.80 2juz h LEU 45 CO -0.11 0.27 0.00 0.35 0.09 0.00 0.00 178.44 179.04 2juz n THR 46 N -4.30 1.02 0.00 0.22 -2.24 -0.85 -4.20 114.28 103.92 2juz n THR 46 Ca -0.02 -0.88 0.00 0.00 -2.27 0.00 0.00 64.05 60.88 2juz n THR 46 Cb 0.25 0.34 0.00 0.00 -2.10 0.00 0.00 70.33 68.82 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 1.26 0.00 -0.06 4.28 -1.04 -0.61 -4.88 114.28 113.23 2juz n THR 47 Ca 0.21 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 62.19 2juz n THR 47 Cb 0.59 -0.56 -0.02 0.00 -1.82 0.00 0.00 70.33 68.52 2juz n THR 47 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 2juz h SER 48 N 0.00 0.00 -3.87 8.00 0.02 -0.17 -3.47 113.55 114.05 2juz h SER 48 Ca 0.00 -0.11 -0.46 0.00 -0.84 0.00 0.00 61.79 60.38 2juz h SER 48 Cb 0.27 0.00 0.08 0.00 0.14 0.00 0.00 62.40 62.89 2juz h SER 48 CO 0.00 0.64 0.25 0.68 -1.14 0.00 0.00 176.83 177.26 2juz s VAL 49 N -1.81 2.29 -0.29 2.27 -7.23 -1.23 -4.95 120.40 109.45 2juz s VAL 49 Ca -0.06 -0.22 -0.39 0.00 -1.81 0.00 0.00 61.98 59.49 2juz s VAL 49 Cb 0.00 -3.02 -0.15 0.00 0.56 0.00 0.00 36.38 33.78 2juz s VAL 49 CO 0.13 -0.02 1.85 -2.65 -0.31 0.00 0.00 175.10 174.11 2juz n PRO 50 N -2.96 1.17 -0.26 4.82 -0.02 -1.26 -4.76 135.00 131.73 2juz n PRO 50 Ca 0.08 0.41 0.03 0.00 -2.02 0.00 0.00 63.50 62.01 2juz n PRO 50 Cb 0.60 -2.18 0.17 0.00 -0.02 0.00 0.00 33.50 32.07 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 8.32 0.58 0.00 -0.52 4.20 -1.90 0.93 115.11 126.73 2juz h GLN 51 Ca -0.42 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.26 2juz h GLN 51 Cb 1.32 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.97 2juz h GLN 51 CO 0.98 0.38 -0.78 1.79 -0.67 0.00 0.00 178.83 180.53 2juz h THR 52 N 0.60 0.00 -0.01 -0.54 1.35 -1.91 -3.27 112.91 109.12 2juz h THR 52 Ca 0.39 -0.66 0.00 0.00 -0.55 0.00 0.00 66.41 65.59 2juz h THR 52 Cb 0.47 1.18 0.00 0.00 -1.73 0.00 0.00 68.15 68.07 2juz h THR 52 CO -0.31 0.00 -0.28 1.67 -0.25 0.00 0.00 175.52 176.35 2juz n GLN 53 N -2.29 1.16 0.15 4.72 7.27 -0.57 -4.11 117.38 123.72 2juz n GLN 53 Ca 0.02 -0.81 -0.00 0.00 0.07 0.00 0.00 57.00 56.28 2juz n GLN 53 Cb 0.48 -1.48 0.22 0.00 2.41 0.00 0.00 30.24 31.87 2juz n GLN 53 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2juz h GLU 55 N 0.00 0.95 -0.48 0.00 4.81 -1.79 0.31 114.58 118.38 2juz h GLU 55 Ca -0.01 -0.14 -0.05 0.00 -0.13 0.00 0.00 59.36 59.04 2juz h GLU 55 Cb 0.96 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 30.15 2juz h GLU 55 CO 0.07 0.76 0.12 0.00 -0.73 0.00 0.00 179.01 179.23 2juz h ALA 56 N 1.37 0.63 -0.62 2.92 0.00 -1.64 -0.20 119.26 121.71 2juz h ALA 56 Ca 0.23 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 2juz h ALA 56 Cb 0.15 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2juz h ALA 56 CO -0.02 0.32 0.04 -0.07 0.00 0.00 0.00 179.25 179.51 2juz h LEU 57 N 0.65 1.05 -0.72 0.00 -0.00 -1.05 -0.35 115.31 114.89 2juz h LEU 57 Ca 0.15 -0.29 -0.05 0.00 -0.00 0.00 0.00 57.88 57.69 2juz h LEU 57 Cb 0.33 -0.28 -0.03 0.00 -0.00 0.00 0.00 40.66 40.67 2juz h LEU 57 CO 0.00 1.08 0.25 0.00 -0.00 0.00 0.00 178.44 179.78 2juz h ALA 58 N 1.01 0.94 -0.44 1.53 0.00 -0.15 0.19 119.26 122.33 2juz h ALA 58 Ca 0.18 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 2juz h ALA 58 Cb 0.52 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2juz h ALA 58 CO 0.02 0.59 -0.15 1.96 0.00 0.00 0.00 179.25 181.67 2juz h GLN 59 N 1.04 0.83 -0.59 0.00 1.08 -0.89 -0.88 115.11 115.70 2juz h GLN 59 Ca 0.24 -0.30 -0.04 0.00 -1.45 0.00 0.00 58.65 57.09 2juz h GLN 59 Cb 0.26 -0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 27.61 2juz h GLN 59 CO -0.01 0.92 0.21 0.00 -0.95 0.00 0.00 178.83 179.00 2juz h ALA 60 N 1.09 0.77 -0.68 3.87 0.00 -0.49 -0.86 119.26 122.96 2juz h ALA 60 Ca 0.11 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 2juz h ALA 60 Cb 0.66 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 2juz h ALA 60 CO 0.05 0.41 0.27 0.35 0.00 0.00 0.00 179.25 180.33 2juz h PHE 61 N 0.83 1.01 0.64 0.00 3.57 -0.45 -0.34 116.94 122.20 2juz h PHE 61 Ca 0.19 -0.06 -0.03 0.00 3.53 0.00 0.00 57.97 61.60 2juz h PHE 61 Cb 0.25 -0.31 -0.00 0.00 2.79 0.00 0.00 35.95 38.68 2juz h PHE 61 CO 0.01 0.77 -0.39 1.03 -2.23 0.00 0.00 178.31 177.50 2juz h SER 62 N 0.98 -0.99 -0.55 0.41 0.87 -0.65 -0.59 113.55 113.04 2juz h SER 62 Ca 0.23 0.06 0.09 0.00 -1.23 0.00 0.00 61.79 60.94 2juz h SER 62 Cb 0.19 0.29 -0.03 0.00 -0.44 0.00 0.00 62.40 62.40 2juz h SER 62 CO -0.02 -0.61 0.37 0.78 -0.53 0.00 0.00 176.83 176.82 2juz h ASN 63 N -0.97 0.32 -0.58 6.23 2.35 -0.97 0.15 115.58 122.09 2juz h ASN 63 Ca -0.08 0.01 -0.07 0.00 -0.55 0.00 0.00 56.30 55.60 2juz h ASN 63 Cb 0.79 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 39.07 2juz h ASN 63 CO 0.08 0.19 0.07 0.28 -1.65 0.00 0.00 177.43 176.41 2juz h SER 64 N 0.36 0.95 -0.49 5.81 0.02 -0.64 0.54 113.55 120.09 2juz h SER 64 Ca 0.25 -0.27 -0.13 0.00 -0.84 0.00 0.00 61.79 60.80 2juz h SER 64 Cb 0.53 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.80 2juz h SER 64 CO -0.06 0.98 -0.19 -0.07 -1.14 0.00 0.00 176.83 176.35 2juz h LEU 65 N 0.88 1.02 -0.72 5.07 3.38 0.65 0.09 115.31 125.68 2juz h LEU 65 Ca 0.17 -0.38 0.01 0.00 0.09 0.00 0.00 57.88 57.78 2juz h LEU 65 Cb 0.45 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.89 2juz h LEU 65 CO 0.02 1.17 0.47 0.40 0.09 0.00 0.00 178.44 180.59 2juz h ILE 66 N 0.87 1.18 -0.83 1.22 1.08 -0.56 0.13 117.51 120.61 2juz h ILE 66 Ca 0.12 -0.33 -0.04 0.00 -0.39 0.00 0.00 64.86 64.22 2juz h ILE 66 Cb 0.77 0.13 -0.04 0.00 -3.07 0.00 0.00 36.82 34.61 2juz h ILE 66 CO 0.06 0.18 0.36 -1.13 -0.69 0.00 0.00 178.15 176.93 2juz h ASN 67 N 0.97 1.12 -0.33 1.72 -1.24 -0.66 0.03 115.58 117.18 2juz h ASN 67 Ca 0.26 -0.16 -0.01 0.00 0.71 0.00 0.00 56.30 57.11 2juz h ASN 67 Cb -0.11 -0.29 -0.02 0.00 0.73 0.00 0.00 38.32 38.63 2juz h ASN 67 CO -0.06 0.97 0.18 0.00 -1.29 0.00 0.00 177.43 177.23 2juz h ALA 68 N 1.20 0.43 -0.28 1.57 0.00 0.03 0.15 119.26 122.35 2juz h ALA 68 Ca 0.28 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.12 2juz h ALA 68 Cb 0.17 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2juz h ALA 68 CO -0.03 -0.03 0.16 0.28 0.00 0.00 0.00 179.25 179.63 2juz h VAL 69 N 0.41 1.03 -0.35 0.00 2.07 -0.53 -1.42 116.25 117.46 2juz h VAL 69 Ca 0.12 -0.11 0.05 0.00 0.82 0.00 0.00 66.70 67.57 2juz h VAL 69 Cb 0.08 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 30.47 2juz h VAL 69 CO -0.02 0.06 0.09 0.50 0.02 0.00 0.00 177.57 178.23 2juz h LYS 70 N 0.33 0.22 0.00 1.57 3.64 -0.66 -1.29 116.57 120.38 2juz h LYS 70 Ca 0.11 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 2juz h LYS 70 Cb -0.00 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 2juz h LYS 70 CO -0.05 0.14 0.00 1.15 -2.27 0.00 0.00 179.45 178.43 2juz h THR 71 N 0.22 0.00 0.21 1.00 2.02 -0.36 0.42 112.91 116.43 2juz h THR 71 Ca 0.17 -0.37 -0.34 0.00 0.77 0.00 0.00 66.41 66.63 2juz h THR 71 Cb 0.17 1.36 0.02 0.00 -1.74 0.00 0.00 68.15 67.96 2juz h THR 71 CO -0.20 0.00 -1.62 -0.09 0.37 0.00 0.00 175.52 173.98 2juz h ARG 72 N 0.00 0.45 0.00 6.66 9.65 -0.30 -3.38 114.38 127.46 2juz h ARG 72 Ca 0.00 -0.77 -0.18 0.00 -1.10 0.00 0.00 59.98 57.94 2juz h ARG 72 Cb 0.37 0.28 -0.03 0.00 -1.39 0.00 0.00 29.97 29.21 2juz h ARG 72 CO 0.00 1.36 -1.68 1.28 2.80 0.00 0.00 179.97 183.73 2juz n LEU 73 N -3.63 0.56 -4.37 3.80 4.77 -0.58 -4.77 117.00 112.78 2juz n LEU 73 Ca -0.21 0.25 -0.45 0.00 -0.03 0.00 0.00 56.01 55.57 2juz n LEU 73 Cb 1.09 0.14 -0.06 0.00 -2.33 0.00 0.00 43.42 42.26 2juz n LEU 73 CO 0.55 0.18 0.21 -0.70 -1.33 0.00 0.00 177.39 176.31 2juz s GLU 74 N -2.94 3.03 -0.22 3.23 2.12 0.14 -5.04 118.70 119.03 2juz s GLU 74 Ca -0.05 -1.36 -0.13 0.00 0.36 0.00 0.00 54.97 53.79 2juz s GLU 74 Cb 0.09 -4.21 -0.05 0.00 0.26 0.00 0.00 34.13 30.23 2juz s GLU 74 CO 0.83 -1.28 0.25 -3.38 -0.54 0.00 0.00 175.26 171.14 2juz s HIS 75 N 2.08 3.35 0.00 5.30 -3.43 -1.26 -4.69 115.29 116.64 2juz s HIS 75 Ca 0.08 0.40 0.00 0.00 -0.80 0.00 0.00 55.06 54.73 2juz s HIS 75 Cb -0.25 -2.36 0.00 0.00 -1.43 0.00 0.00 32.58 28.54 2juz s HIS 75 CO 0.06 0.07 0.00 0.72 -2.00 0.00 0.00 174.74 173.59 2juz n HIS 76 N 4.24 0.00 -3.40 0.38 -0.00 -1.26 -4.75 115.22 110.43 2juz n HIS 76 Ca -0.12 0.00 -0.22 0.00 -0.00 0.00 0.00 57.72 57.38 2juz n HIS 76 Cb 0.52 0.00 0.07 0.00 -0.00 0.00 0.00 29.99 30.57 2juz n HIS 76 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2juz n HIS 77 N 0.00 -2.50 -1.86 4.41 -0.00 -1.26 -4.90 115.22 109.12 2juz n HIS 77 Ca 0.00 0.85 -0.43 0.00 0.46 0.00 0.00 57.72 58.60 2juz n HIS 77 Cb 0.00 -4.64 -0.03 0.00 -0.12 0.00 0.00 29.99 25.20 2juz n HIS 77 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 2juz s HIS 78 N -3.26 1.61 -0.18 1.57 -0.00 -1.26 -4.84 115.29 108.93 2juz s HIS 78 Ca 0.49 0.40 0.19 0.00 -0.00 0.00 0.00 55.06 56.14 2juz s HIS 78 Cb -0.22 -4.04 -0.05 0.00 -0.00 0.00 0.00 32.58 28.27 2juz s HIS 78 CO 0.61 -3.72 1.00 1.25 -0.00 0.00 0.00 174.74 173.87 2juz h HIS 79 N 12.58 0.00 0.00 0.38 2.76 -2.01 -3.56 115.15 125.30 2juz h HIS 79 Ca -0.39 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.78 2juz h HIS 79 Cb 1.20 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.16 2juz h HIS 79 CO 0.94 0.36 0.00 1.58 -1.30 0.00 0.00 177.93 179.51