#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2juz h ALA 2 N 0.00 1.00 -1.54 3.04 0.00 -2.13 -3.41 119.26 116.22 2juz h ALA 2 Ca 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 54.91 54.32 2juz h ALA 2 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 17.68 2juz h ALA 2 CO 0.00 0.00 0.77 -1.14 0.00 0.00 0.00 179.25 178.88 2juz s GLN 3 N -3.25 3.17 -0.29 0.00 0.74 -1.26 -4.75 119.66 114.02 2juz s GLN 3 Ca 0.07 -0.52 0.18 0.00 0.05 0.00 0.00 55.36 55.14 2juz s GLN 3 Cb 0.10 -4.19 0.45 0.00 1.10 0.00 0.00 33.01 30.47 2juz s GLN 3 CO 0.56 -1.93 1.32 -2.39 -0.55 0.00 0.00 175.29 172.30 2juz n HIS 4 N 8.41 -0.38 -4.60 1.67 1.44 -1.26 -5.13 115.22 115.37 2juz n HIS 4 Ca -0.00 -1.90 -0.27 0.00 -2.01 0.00 0.00 57.72 53.53 2juz n HIS 4 Cb 0.47 0.65 -0.09 0.00 0.12 0.00 0.00 29.99 31.14 2juz n HIS 4 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 2juz s SER 5 N -2.46 3.31 0.01 4.39 0.15 -1.26 -4.30 113.70 113.53 2juz s SER 5 Ca 0.18 -1.55 0.00 0.00 0.70 0.00 0.00 55.95 55.28 2juz s SER 5 Cb 0.38 0.23 0.00 0.00 -1.71 0.00 0.00 66.02 64.92 2juz s SER 5 CO -0.08 -0.75 0.00 1.17 1.20 0.00 0.00 173.24 174.77 2juz n LYS 6 N -0.98 0.00 0.00 5.44 4.81 -1.26 -4.98 118.16 121.19 2juz n LYS 6 Ca -0.09 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.35 2juz n LYS 6 Cb 0.66 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.71 2juz n LYS 6 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2juz n TYR 7 N -1.99 0.00 -3.15 5.64 4.01 -1.26 -5.07 117.16 115.34 2juz n TYR 7 Ca 0.00 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.79 2juz n TYR 7 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.02 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 -3.41 -1.02 0.56 7.72 0.01 -1.26 -5.01 113.70 111.28 2juz s SER 8 Ca 0.00 0.59 0.34 0.00 1.31 0.00 0.00 55.95 58.19 2juz s SER 8 Cb 0.00 1.84 1.58 0.00 0.21 0.00 0.00 66.02 69.65 2juz s SER 8 CO 0.00 -0.19 2.08 -2.24 0.41 0.00 0.00 173.24 173.29 2juz h ASP 9 N 7.98 0.00 -0.30 2.44 2.03 -1.94 -0.77 116.42 125.86 2juz h ASP 9 Ca -0.18 0.00 -0.11 0.00 -0.73 0.00 0.00 57.03 56.01 2juz h ASP 9 Cb 1.17 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.65 2juz h ASP 9 CO 0.11 0.05 -0.22 0.00 -1.03 0.00 0.00 179.24 178.15 2juz h ALA 10 N 1.95 0.88 -0.06 4.15 0.00 -1.95 -0.00 119.26 124.22 2juz h ALA 10 Ca -0.00 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.54 2juz h ALA 10 Cb 0.38 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 2juz h ALA 10 CO 0.01 0.63 0.04 1.96 0.00 0.00 0.00 179.25 181.88 2juz h GLN 11 N 0.68 0.09 0.66 0.00 1.08 -1.55 -1.82 115.11 114.25 2juz h GLN 11 Ca 0.10 -0.01 -0.03 0.00 -1.45 0.00 0.00 58.65 57.26 2juz h GLN 11 Cb 0.73 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.13 2juz h GLN 11 CO 0.06 0.13 -0.46 1.25 -0.95 0.00 0.00 178.83 178.86 2juz h LEU 12 N 0.02 -1.18 -0.89 1.46 5.85 -1.26 -2.08 115.31 117.22 2juz h LEU 12 Ca 0.02 0.07 0.11 0.00 0.84 0.00 0.00 57.88 58.93 2juz h LEU 12 Cb 0.07 0.36 -0.08 0.00 0.37 0.00 0.00 40.66 41.38 2juz h LEU 12 CO -0.00 -0.67 0.52 0.28 -0.34 0.00 0.00 178.44 178.22 2juz h SER 13 N -1.06 0.72 -0.75 1.25 0.02 -1.02 -0.26 113.55 112.45 2juz h SER 13 Ca -0.09 0.06 -0.04 0.00 -0.84 0.00 0.00 61.79 60.88 2juz h SER 13 Cb 0.87 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 63.30 2juz h SER 13 CO 0.06 0.38 0.32 0.00 -1.14 0.00 0.00 176.83 176.45 2juz h ALA 14 N 1.50 0.98 -0.17 3.77 0.00 -1.24 -0.50 119.26 123.60 2juz h ALA 14 Ca 0.44 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 55.13 2juz h ALA 14 Cb 0.47 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 2juz h ALA 14 CO -0.28 0.59 -0.08 0.82 0.00 0.00 0.00 179.25 180.30 2juz h ILE 15 N 1.08 1.31 -0.79 0.00 2.04 -0.42 -1.24 117.51 119.50 2juz h ILE 15 Ca 0.25 -1.12 -0.04 0.00 1.00 0.00 0.00 64.86 64.95 2juz h ILE 15 Cb 0.19 1.70 -0.04 0.00 -0.74 0.00 0.00 36.82 37.93 2juz h ILE 15 CO -0.02 0.33 0.32 0.58 0.00 0.00 0.00 178.15 179.36 2juz h VAL 16 N 0.03 1.26 -0.61 1.67 2.07 -0.98 -0.65 116.25 119.04 2juz h VAL 16 Ca 0.04 -0.80 -0.07 0.00 0.82 0.00 0.00 66.70 66.69 2juz h VAL 16 Cb 0.55 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 2juz h VAL 16 CO 0.02 0.33 0.10 0.78 0.02 0.00 0.00 177.57 178.82 2juz h ASN 17 N 1.14 0.93 0.05 0.57 2.35 -1.05 -2.30 115.58 117.27 2juz h ASN 17 Ca 0.26 -0.21 -0.00 0.00 -0.55 0.00 0.00 56.30 55.80 2juz h ASN 17 Cb 0.20 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.32 2juz h ASN 17 CO -0.02 0.94 -0.02 -0.78 -1.65 0.00 0.00 177.43 175.89 2juz h ASP 18 N 0.92 -0.06 -0.76 5.81 3.58 -0.51 -0.82 116.42 124.59 2juz h ASP 18 Ca 0.19 -0.18 0.13 0.00 0.42 0.00 0.00 57.03 57.60 2juz h ASP 18 Cb 0.40 0.01 -0.09 0.00 1.72 0.00 0.00 39.33 41.38 2juz h ASP 18 CO 0.01 0.14 0.34 0.24 -2.88 0.00 0.00 179.24 177.09 2juz h MET 19 N -0.25 0.49 -0.25 0.28 2.86 -1.04 0.45 114.93 117.47 2juz h MET 19 Ca -0.01 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.59 2juz h MET 19 Cb 0.23 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.77 2juz h MET 19 CO 0.01 0.32 0.10 0.82 1.06 0.00 0.00 176.91 179.23 2juz h ILE 20 N 0.51 1.16 -0.57 -1.22 2.04 -1.17 0.22 117.51 118.47 2juz h ILE 20 Ca 0.41 -0.49 -0.03 0.00 1.00 0.00 0.00 64.86 65.75 2juz h ILE 20 Cb 0.58 1.03 -0.03 0.00 -0.74 0.00 0.00 36.82 37.67 2juz h ILE 20 CO -0.37 0.16 0.23 0.00 0.00 0.00 0.00 178.15 178.17 2juz h ALA 21 N 0.95 0.74 -0.49 1.87 0.00 0.15 0.22 119.26 122.70 2juz h ALA 21 Ca 0.08 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 2juz h ALA 21 Cb 0.16 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2juz h ALA 21 CO -0.01 0.35 -0.06 0.28 0.00 0.00 0.00 179.25 179.81 2juz h VAL 22 N 0.78 1.26 -0.14 0.00 2.07 -0.03 0.51 116.25 120.70 2juz h VAL 22 Ca 0.19 -1.14 -0.01 0.00 0.82 0.00 0.00 66.70 66.56 2juz h VAL 22 Cb 0.20 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 2juz h VAL 22 CO -0.02 0.40 0.06 0.25 0.02 0.00 0.00 177.57 178.28 2juz h LEU 23 N 0.79 0.19 -1.30 2.57 5.85 -0.18 -2.48 115.31 120.75 2juz h LEU 23 Ca 0.14 -0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 2juz h LEU 23 Cb 0.56 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 2juz h LEU 23 CO 0.03 0.30 0.21 -0.08 -0.34 0.00 0.00 178.44 178.56 2juz h GLU 24 N 0.07 0.69 0.00 1.25 4.22 -0.74 -0.15 114.58 119.93 2juz h GLU 24 Ca 0.05 -0.09 -0.01 0.00 0.08 0.00 0.00 59.36 59.38 2juz h GLU 24 Cb 0.17 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 2juz h GLU 24 CO -0.00 0.56 -0.07 -0.22 -2.18 0.00 0.00 179.01 177.10 2juz h LYS 25 N 0.69 0.00 0.00 1.92 3.64 -0.60 -0.07 116.57 122.15 2juz h LYS 25 Ca 0.17 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 2juz h LYS 25 Cb 0.11 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 2juz h LYS 25 CO -0.02 0.07 -0.87 0.45 -2.27 0.00 0.00 179.45 176.81 2juz h HIS 26 N 0.00 0.00 -3.19 1.91 3.86 -0.78 -3.48 115.15 113.48 2juz h HIS 26 Ca -0.00 0.00 -0.36 0.00 -1.16 0.00 0.00 60.37 58.85 2juz h HIS 26 Cb 0.13 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.61 2juz h HIS 26 CO 0.00 0.00 -0.50 1.17 0.86 0.00 0.00 177.93 179.46 2juz n LYS 27 N -2.51 -2.67 -2.57 2.45 3.00 -0.04 -4.95 118.16 110.86 2juz n LYS 27 Ca 0.01 0.85 -0.43 0.00 -0.00 0.00 0.00 58.31 58.74 2juz n LYS 27 Cb 0.52 -5.42 -0.02 0.00 0.00 0.00 0.00 35.03 30.11 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 -2.99 3.64 1.27 3.14 0.00 -1.21 -5.02 121.76 120.58 2juz s ALA 28 Ca 0.11 0.32 -0.19 0.00 0.00 0.00 0.00 51.96 52.20 2juz s ALA 28 Cb -0.05 -3.56 0.31 0.00 0.00 0.00 0.00 23.12 19.82 2juz s ALA 28 CO 0.14 -1.03 1.02 -1.25 0.00 0.00 0.00 175.76 174.64 2juz s PRO 29 N 3.11 -1.72 0.64 0.00 0.04 -1.26 -4.64 135.00 131.17 2juz s PRO 29 Ca 0.49 0.23 0.41 0.00 0.04 0.00 0.00 61.00 62.17 2juz s PRO 29 Cb -0.18 -1.51 2.20 0.00 0.04 0.00 0.00 34.50 35.05 2juz s PRO 29 CO 0.11 -4.11 2.30 -0.24 0.04 0.00 0.00 177.00 175.10 2juz h VAL 30 N -2.87 0.06 0.00 -0.36 3.04 -1.99 -2.36 116.25 111.77 2juz h VAL 30 Ca -0.49 -0.10 0.00 0.00 -1.01 0.00 0.00 66.70 65.10 2juz h VAL 30 Cb 1.32 1.09 0.00 0.00 -2.01 0.00 0.00 31.29 31.70 2juz h VAL 30 CO 0.37 0.01 0.00 0.47 -1.01 0.00 0.00 177.57 177.41 2juz n ASP 31 N -3.16 0.00 -0.21 3.17 8.00 -1.26 -3.12 116.55 119.97 2juz n ASP 31 Ca -0.02 0.61 0.07 0.00 0.71 0.00 0.00 54.79 56.15 2juz n ASP 31 Cb 0.11 -0.32 0.34 0.00 -0.02 0.00 0.00 41.12 41.23 2juz n ASP 31 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2juz h LEU 32 N 0.00 0.69 -0.48 0.64 3.38 -1.89 -1.96 115.31 115.69 2juz h LEU 32 Ca 0.00 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 2juz h LEU 32 Cb 0.00 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 2juz h LEU 32 CO 0.00 0.43 0.20 0.77 0.09 0.00 0.00 178.44 179.93 2juz h SER 33 N 0.78 0.66 0.61 -0.43 4.64 -1.58 -1.32 113.55 116.91 2juz h SER 33 Ca 0.34 -0.16 -0.10 0.00 -0.47 0.00 0.00 61.79 61.40 2juz h SER 33 Cb 0.33 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.23 2juz h SER 33 CO -0.12 0.64 -0.48 -0.07 -0.87 0.00 0.00 176.83 175.92 2juz h LEU 34 N 0.64 0.00 -0.13 5.97 3.38 -1.32 -1.26 115.31 122.59 2juz h LEU 34 Ca 0.16 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 2juz h LEU 34 Cb 0.18 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 2juz h LEU 34 CO -0.01 0.48 0.02 0.40 0.09 0.00 0.00 178.44 179.42 2juz h ILE 35 N 0.00 1.22 -0.43 1.22 1.08 -0.89 0.21 117.51 119.93 2juz h ILE 35 Ca -0.00 -0.69 0.00 0.00 -0.39 0.00 0.00 64.86 63.78 2juz h ILE 35 Cb 0.92 1.43 -0.02 0.00 -3.07 0.00 0.00 36.82 36.07 2juz h ILE 35 CO 0.06 0.20 0.27 0.00 -0.69 0.00 0.00 178.15 178.00 2juz h ALA 36 N 0.80 0.54 -0.40 1.87 0.00 -1.09 -1.61 119.26 119.37 2juz h ALA 36 Ca 0.04 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 2juz h ALA 36 Cb 0.29 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 2juz h ALA 36 CO 0.00 0.02 0.04 -0.07 0.00 0.00 0.00 179.25 179.24 2juz h LEU 37 N 0.57 0.57 -0.66 0.00 3.38 -1.12 0.03 115.31 118.08 2juz h LEU 37 Ca 0.15 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 2juz h LEU 37 Cb -0.03 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 2juz h LEU 37 CO -0.03 0.61 0.29 1.23 0.09 0.00 0.00 178.44 180.63 2juz h GLY 38 N 0.86 1.03 1.01 0.83 0.00 -0.05 0.39 103.07 107.15 2juz h GLY 38 Ca 0.13 -0.54 -0.09 0.00 0.00 0.00 0.00 47.33 46.83 2juz h GLY 38 CO 0.01 0.51 -0.07 3.43 0.00 0.00 0.00 176.54 180.42 2juz h ASN 39 N 0.92 0.85 -0.26 0.19 -0.26 -0.82 -2.74 115.58 113.46 2juz h ASN 39 Ca 0.22 -0.34 -0.02 0.00 -0.56 0.00 0.00 56.30 55.59 2juz h ASN 39 Cb 0.17 -0.23 -0.01 0.00 -1.06 0.00 0.00 38.32 37.19 2juz h ASN 39 CO -0.02 0.99 0.07 -0.03 -1.06 0.00 0.00 177.43 177.37 2juz h MET 40 N 0.69 0.41 -0.01 0.81 4.05 -0.70 -2.01 114.93 118.16 2juz h MET 40 Ca 0.12 -0.10 0.02 0.00 -0.28 0.00 0.00 59.70 59.46 2juz h MET 40 Cb 0.60 -0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 31.32 2juz h MET 40 CO 0.04 0.50 -0.09 0.00 0.23 0.00 0.00 176.91 177.59 2juz h ALA 41 N 0.89 -0.09 -0.60 0.39 0.00 -0.19 0.33 119.26 119.99 2juz h ALA 41 Ca 0.08 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 2juz h ALA 41 Cb 0.27 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2juz h ALA 41 CO 0.00 -0.58 0.09 0.66 0.00 0.00 0.00 179.25 179.43 2juz h SER 42 N -0.15 0.96 -0.73 0.00 4.64 -1.51 0.13 113.55 116.90 2juz h SER 42 Ca 0.04 -0.26 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 2juz h SER 42 Cb 0.19 -0.26 -0.04 0.00 -0.31 0.00 0.00 62.40 61.99 2juz h SER 42 CO -0.09 0.98 0.46 -1.13 -0.87 0.00 0.00 176.83 176.18 2juz h ASN 43 N 0.90 0.86 -0.26 4.97 -1.24 -1.07 -1.65 115.58 118.08 2juz h ASN 43 Ca 0.18 -0.04 -0.07 0.00 0.71 0.00 0.00 56.30 57.08 2juz h ASN 43 Cb 0.43 -0.22 -0.01 0.00 0.73 0.00 0.00 38.32 39.26 2juz h ASN 43 CO 0.01 0.64 -0.10 -0.07 -1.29 0.00 0.00 177.43 176.63 2juz h LEU 44 N 0.99 0.55 -2.25 0.34 3.38 -0.60 -2.84 115.31 114.88 2juz h LEU 44 Ca 0.26 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 57.84 2juz h LEU 44 Cb -0.08 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.52 2juz h LEU 44 CO -0.05 0.81 0.00 -0.07 0.09 0.00 0.00 178.44 179.22 2juz h LEU 45 N 0.27 0.00 -2.72 1.67 3.38 -0.36 0.60 115.31 118.15 2juz h LEU 45 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2juz h LEU 45 Cb 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 2juz h LEU 45 CO 0.03 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.91 2juz n THR 46 N -2.86 0.93 0.00 0.22 -2.24 -0.66 -4.50 114.28 105.17 2juz n THR 46 Ca -0.02 -0.96 0.00 0.00 -2.27 0.00 0.00 64.05 60.80 2juz n THR 46 Cb 0.12 0.57 0.00 0.00 -2.10 0.00 0.00 70.33 68.92 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 1.24 0.00 -0.03 4.28 -1.04 0.53 -4.94 114.28 114.33 2juz n THR 47 Ca 0.19 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 62.13 2juz n THR 47 Cb 0.55 -0.60 -0.14 0.00 -1.82 0.00 0.00 70.33 68.33 2juz n THR 47 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 2juz n SER 48 N -2.41 0.73 -4.78 8.00 3.41 0.18 -4.89 113.62 113.87 2juz n SER 48 Ca 0.00 0.35 -0.28 0.00 -0.26 0.00 0.00 58.87 58.67 2juz n SER 48 Cb 0.13 0.14 -0.06 0.00 -0.26 0.00 0.00 64.21 64.16 2juz n SER 48 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 2juz s VAL 49 N -2.64 4.45 0.03 -3.33 -7.23 -1.23 -5.06 120.40 105.39 2juz s VAL 49 Ca -0.05 -0.96 -0.33 0.00 -1.81 0.00 0.00 61.98 58.83 2juz s VAL 49 Cb 0.08 -3.20 -0.11 0.00 0.56 0.00 0.00 36.38 33.70 2juz s VAL 49 CO 0.82 0.00 1.83 -2.65 -0.31 0.00 0.00 175.10 174.80 2juz n PRO 50 N 0.06 2.44 0.32 4.82 -0.02 -1.26 -4.74 135.00 136.62 2juz n PRO 50 Ca -0.09 0.89 0.20 0.00 -2.02 0.00 0.00 63.50 62.48 2juz n PRO 50 Cb 0.53 -2.75 1.11 0.00 -0.02 0.00 0.00 33.50 32.38 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 8.60 0.00 0.00 -0.52 7.50 -1.93 0.21 115.11 128.97 2juz h GLN 51 Ca -0.47 0.00 -0.11 0.00 0.50 0.00 0.00 58.65 58.56 2juz h GLN 51 Cb 1.25 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 28.76 2juz h GLN 51 CO 0.94 0.00 -0.54 1.15 -1.50 0.00 0.00 178.83 178.87 2juz h THR 52 N 0.00 1.05 -0.15 -0.54 2.02 -1.97 -3.28 112.91 110.04 2juz h THR 52 Ca 0.00 -2.14 0.00 0.00 0.77 0.00 0.00 66.41 65.04 2juz h THR 52 Cb 0.00 2.28 0.00 0.00 -1.74 0.00 0.00 68.15 68.69 2juz h THR 52 CO -0.00 0.53 0.00 1.67 0.37 0.00 0.00 175.52 178.09 2juz n GLN 53 N -3.40 2.19 -0.34 6.66 7.27 0.47 -4.68 117.38 125.55 2juz n GLN 53 Ca 0.01 -1.59 -0.00 0.00 0.07 0.00 0.00 57.00 55.48 2juz n GLN 53 Cb 0.67 -1.15 0.13 0.00 2.41 0.00 0.00 30.24 32.31 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 1.13 0.62 -0.25 0.00 4.81 -1.83 -1.94 114.58 117.13 2juz h GLU 55 Ca 0.38 -0.08 -0.17 0.00 -0.13 0.00 0.00 59.36 59.36 2juz h GLU 55 Cb 0.05 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.32 2juz h GLU 55 CO -0.14 0.51 -0.52 0.00 -0.73 0.00 0.00 179.01 178.13 2juz h ALA 56 N 1.59 0.40 0.02 2.92 0.00 -1.46 -1.74 119.26 120.98 2juz h ALA 56 Ca 0.15 -0.50 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 2juz h ALA 56 Cb 0.11 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 2juz h ALA 56 CO -0.02 0.59 -0.01 -0.07 0.00 0.00 0.00 179.25 179.74 2juz h LEU 57 N 0.54 -0.03 -1.23 0.00 -0.00 -0.86 0.15 115.31 113.88 2juz h LEU 57 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 57.88 57.81 2juz h LEU 57 Cb 1.13 0.01 -0.01 0.00 -0.00 0.00 0.00 40.66 41.79 2juz h LEU 57 CO 0.12 -0.02 -0.33 0.00 -0.00 0.00 0.00 178.44 178.20 2juz h ALA 58 N 0.95 1.37 0.00 1.53 0.00 -1.40 -0.07 119.26 121.64 2juz h ALA 58 Ca -0.00 -0.32 -0.19 0.00 0.00 0.00 0.00 54.91 54.40 2juz h ALA 58 Cb 0.02 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2juz h ALA 58 CO 0.00 0.46 -0.86 0.37 0.00 0.00 0.00 179.25 179.23 2juz h GLN 59 N 0.07 0.09 -0.01 0.00 4.15 -0.93 -2.24 115.11 116.24 2juz h GLN 59 Ca 0.01 -0.10 -0.25 0.00 0.77 0.00 0.00 58.65 59.08 2juz h GLN 59 Cb 0.63 0.03 0.02 0.00 0.21 0.00 0.00 27.48 28.37 2juz h GLN 59 CO 0.05 0.89 -0.97 0.00 -1.93 0.00 0.00 178.83 176.87 2juz h ALA 60 N 1.08 0.13 -0.43 3.38 0.00 -0.36 -2.39 119.26 120.67 2juz h ALA 60 Ca -0.03 -0.67 0.03 0.00 0.00 0.00 0.00 54.91 54.24 2juz h ALA 60 Cb 1.49 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 19.30 2juz h ALA 60 CO 0.12 0.64 0.22 0.35 0.00 0.00 0.00 179.25 180.58 2juz h PHE 61 N 0.35 0.40 -0.31 0.00 3.57 -0.99 -0.94 116.94 119.01 2juz h PHE 61 Ca -0.12 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.35 2juz h PHE 61 Cb 1.63 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 40.24 2juz h PHE 61 CO 0.11 0.21 0.01 0.66 -2.23 0.00 0.00 178.31 177.07 2juz h SER 62 N 0.44 0.52 -0.98 0.41 4.64 -1.47 -2.50 113.55 114.61 2juz h SER 62 Ca 0.18 -0.30 0.11 0.00 -0.47 0.00 0.00 61.79 61.32 2juz h SER 62 Cb 0.09 -0.14 -0.08 0.00 -0.31 0.00 0.00 62.40 61.96 2juz h SER 62 CO -0.13 0.69 0.62 0.78 -0.87 0.00 0.00 176.83 177.93 2juz h ASN 63 N 0.34 0.89 -0.56 4.97 2.35 -1.11 0.25 115.58 122.71 2juz h ASN 63 Ca 0.09 0.04 -0.00 0.00 -0.55 0.00 0.00 56.30 55.88 2juz h ASN 63 Cb 0.42 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.62 2juz h ASN 63 CO 0.01 0.49 0.34 0.28 -1.65 0.00 0.00 177.43 176.90 2juz h SER 64 N 0.97 0.67 -0.61 5.81 0.02 -0.95 -1.85 113.55 117.61 2juz h SER 64 Ca 0.48 -0.06 -0.08 0.00 -0.84 0.00 0.00 61.79 61.29 2juz h SER 64 Cb 0.47 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.82 2juz h SER 64 CO -0.24 0.53 0.09 -0.07 -1.14 0.00 0.00 176.83 176.01 2juz h LEU 65 N 0.75 1.00 -1.12 5.07 3.38 -0.57 -2.50 115.31 121.33 2juz h LEU 65 Ca 0.20 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 2juz h LEU 65 Cb -0.02 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.44 2juz h LEU 65 CO -0.04 1.00 0.37 0.40 0.09 0.00 0.00 178.44 180.26 2juz h ILE 66 N 0.98 1.22 -0.44 1.22 1.08 -0.21 0.20 117.51 121.56 2juz h ILE 66 Ca 0.19 -0.57 -0.07 0.00 -0.39 0.00 0.00 64.86 64.03 2juz h ILE 66 Cb 0.44 0.28 -0.02 0.00 -3.07 0.00 0.00 36.82 34.45 2juz h ILE 66 CO 0.01 0.25 -0.01 0.78 -0.69 0.00 0.00 178.15 178.49 2juz h ASN 67 N 0.99 0.69 -0.47 1.72 2.35 -1.06 0.39 115.58 120.19 2juz h ASN 67 Ca 0.25 -0.16 -0.10 0.00 -0.55 0.00 0.00 56.30 55.73 2juz h ASN 67 Cb 0.05 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 2juz h ASN 67 CO -0.04 0.77 -0.11 0.00 -1.65 0.00 0.00 177.43 176.40 2juz h ALA 68 N 1.31 0.65 -0.64 -0.83 0.00 -0.80 -2.34 119.26 116.61 2juz h ALA 68 Ca 0.13 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 2juz h ALA 68 Cb 0.43 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 2juz h ALA 68 CO 0.02 0.55 0.21 0.28 0.00 0.00 0.00 179.25 180.31 2juz h VAL 69 N 0.76 1.24 -0.83 0.00 2.07 -0.10 -2.16 116.25 117.23 2juz h VAL 69 Ca 0.12 -0.80 0.06 0.00 0.82 0.00 0.00 66.70 66.91 2juz h VAL 69 Cb 0.66 0.52 -0.06 0.00 -1.52 0.00 0.00 31.29 30.89 2juz h VAL 69 CO 0.05 0.31 0.50 0.50 0.02 0.00 0.00 177.57 178.95 2juz h LYS 70 N 0.94 0.89 -0.17 1.57 3.64 0.01 -1.11 116.57 122.34 2juz h LYS 70 Ca 0.21 -0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.47 2juz h LYS 70 Cb 0.25 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 2juz h LYS 70 CO -0.01 0.59 -0.22 1.15 -2.27 0.00 0.00 179.45 178.69 2juz h THR 71 N 0.91 1.23 0.33 1.00 2.02 -0.86 0.43 112.91 117.97 2juz h THR 71 Ca 0.37 -1.07 -0.01 0.00 0.77 0.00 0.00 66.41 66.47 2juz h THR 71 Cb 0.19 1.35 -0.00 0.00 -1.74 0.00 0.00 68.15 67.95 2juz h THR 71 CO -0.18 0.33 -0.18 0.03 0.37 0.00 0.00 175.52 175.88 2juz h ARG 72 N 0.27 -0.47 0.02 6.66 2.47 -0.79 -3.19 114.38 119.35 2juz h ARG 72 Ca 0.05 0.03 -0.00 0.00 -1.26 0.00 0.00 59.98 58.80 2juz h ARG 72 Cb 0.54 0.11 0.00 0.00 -1.65 0.00 0.00 29.97 28.97 2juz h ARG 72 CO 0.04 -0.31 -0.01 -0.07 0.56 0.00 0.00 179.97 180.18 2juz h LEU 73 N -0.48 -0.02 -7.30 3.04 3.38 -0.77 -3.41 115.31 109.74 2juz h LEU 73 Ca -0.04 -0.35 -0.60 0.00 0.09 0.00 0.00 57.88 56.98 2juz h LEU 73 Cb 0.39 0.01 -0.40 0.00 0.09 0.00 0.00 40.66 40.75 2juz h LEU 73 CO 0.05 0.35 -0.75 -1.83 0.09 0.00 0.00 178.44 176.35 2juz s GLU 74 N -4.73 0.93 -0.74 1.13 -1.05 0.15 -5.07 118.70 109.32 2juz s GLU 74 Ca -0.15 -1.24 -0.26 0.00 -0.15 0.00 0.00 54.97 53.17 2juz s GLU 74 Cb 0.03 -2.30 0.02 0.00 -0.44 0.00 0.00 34.13 31.44 2juz s GLU 74 CO 0.66 -0.95 1.45 -1.01 0.95 0.00 0.00 175.26 176.37 2juz s HIS 75 N 1.45 2.14 0.70 4.83 3.76 -1.21 -4.24 115.29 122.72 2juz s HIS 75 Ca 0.09 0.10 -0.11 0.00 -0.15 0.00 0.00 55.06 54.99 2juz s HIS 75 Cb -0.18 -4.49 0.01 0.00 1.11 0.00 0.00 32.58 29.03 2juz s HIS 75 CO -0.20 -2.11 1.08 -1.01 -0.85 0.00 0.00 174.74 171.65 2juz s HIS 76 N 6.60 3.30 -1.08 1.40 3.76 -1.26 -4.94 115.29 123.07 2juz s HIS 76 Ca 0.45 1.15 -0.22 0.00 -0.15 0.00 0.00 55.06 56.29 2juz s HIS 76 Cb -0.08 -2.98 0.05 0.00 1.11 0.00 0.00 32.58 30.68 2juz s HIS 76 CO 0.14 -1.16 1.53 -1.01 -0.85 0.00 0.00 174.74 173.39 2juz s HIS 77 N -3.26 2.56 -0.64 1.40 3.76 -1.26 -4.91 115.29 112.94 2juz s HIS 77 Ca 0.58 -0.97 -0.13 0.00 -0.15 0.00 0.00 55.06 54.40 2juz s HIS 77 Cb -0.12 -4.69 0.16 0.00 1.11 0.00 0.00 32.58 29.05 2juz s HIS 77 CO 0.53 -1.90 0.57 -1.58 -0.85 0.00 0.00 174.74 171.50 2juz s HIS 78 N 4.99 3.49 -0.30 1.40 5.04 -1.26 -4.99 115.29 123.66 2juz s HIS 78 Ca 0.49 -1.81 -0.13 0.00 -1.54 0.00 0.00 55.06 52.07 2juz s HIS 78 Cb 0.01 -3.69 0.16 0.00 0.04 0.00 0.00 32.58 29.09 2juz s HIS 78 CO -0.06 -0.99 0.87 -1.58 -2.34 0.00 0.00 174.74 170.65 2juz s HIS 79 N 0.85 -0.92 -2.88 3.88 5.04 -1.26 -5.29 115.29 114.71 2juz s HIS 79 Ca 0.11 1.52 0.25 0.00 -1.54 0.00 0.00 55.06 55.40 2juz s HIS 79 Cb -0.21 0.52 0.40 0.00 0.04 0.00 0.00 32.58 33.34 2juz s HIS 79 CO -0.03 -0.46 1.38 1.58 -2.34 0.00 0.00 174.74 174.87