#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 2.77 0.68 3.04 0.00 -1.26 -5.10 121.76 121.88 2juz s ALA 2 Ca 0.00 -1.09 -0.11 0.00 0.00 0.00 0.00 51.96 50.76 2juz s ALA 2 Cb 0.00 -1.58 -0.00 0.00 0.00 0.00 0.00 23.12 21.54 2juz s ALA 2 CO 0.00 -0.26 1.06 -0.65 0.00 0.00 0.00 175.76 175.91 2juz s GLN 3 N 1.18 3.10 -0.45 0.00 -0.21 -1.26 -5.02 119.66 117.01 2juz s GLN 3 Ca 0.02 0.79 -0.11 0.00 0.02 0.00 0.00 55.36 56.08 2juz s GLN 3 Cb -0.14 -2.02 0.09 0.00 1.00 0.00 0.00 33.01 31.93 2juz s GLN 3 CO -0.02 -0.94 0.32 -1.01 -2.12 0.00 0.00 175.29 171.52 2juz s HIS 4 N -3.14 3.33 -0.68 0.91 3.76 -1.26 -5.02 115.29 113.18 2juz s HIS 4 Ca 0.57 -1.45 -0.27 0.00 -0.15 0.00 0.00 55.06 53.76 2juz s HIS 4 Cb -0.13 -3.16 0.01 0.00 1.11 0.00 0.00 32.58 30.42 2juz s HIS 4 CO 0.54 -0.88 1.46 -1.12 -0.85 0.00 0.00 174.74 173.90 2juz s SER 5 N 2.42 5.90 0.00 1.40 0.01 -1.26 -4.90 113.70 117.28 2juz s SER 5 Ca 0.04 -0.15 0.00 0.00 1.31 0.00 0.00 55.95 57.15 2juz s SER 5 Cb -0.24 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.44 2juz s SER 5 CO 0.03 -1.98 0.00 0.29 0.41 0.00 0.00 173.24 171.99 2juz n LYS 6 N 9.25 0.00 -3.45 12.44 5.02 -1.26 -4.88 118.16 135.27 2juz n LYS 6 Ca 0.09 0.22 -0.28 0.00 -2.02 0.00 0.00 58.31 56.32 2juz n LYS 6 Cb 0.50 -0.68 -0.11 0.00 -0.02 0.00 0.00 35.03 34.71 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 -0.54 0.85 -0.15 2.13 2.02 -1.26 -5.08 117.35 115.32 2juz s TYR 7 Ca 0.00 -1.84 0.02 0.00 -0.37 0.00 0.00 57.07 54.88 2juz s TYR 7 Cb 0.00 -0.94 0.01 0.00 -0.40 0.00 0.00 41.96 40.63 2juz s TYR 7 CO 0.00 -0.83 -0.21 -1.12 -1.57 0.00 0.00 175.55 171.83 2juz s SER 8 N 0.77 3.06 0.60 2.29 0.01 -1.26 -4.98 113.70 114.19 2juz s SER 8 Ca 0.22 -0.60 0.38 0.00 1.31 0.00 0.00 55.95 57.26 2juz s SER 8 Cb -0.16 -1.42 1.84 0.00 0.21 0.00 0.00 66.02 66.49 2juz s SER 8 CO -0.05 0.05 2.16 -2.24 0.41 0.00 0.00 173.24 173.58 2juz h ASP 9 N 7.51 0.00 -0.10 2.44 2.03 -1.98 0.21 116.42 126.54 2juz h ASP 9 Ca -0.36 0.00 -0.20 0.00 -0.73 0.00 0.00 57.03 55.74 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 0.57 0.01 -0.70 0.00 -1.03 0.00 0.00 179.24 178.10 2juz h ALA 10 N 1.99 0.43 -0.22 4.15 0.00 -1.99 0.24 119.26 123.86 2juz h ALA 10 Ca -0.00 -0.57 -0.07 0.00 0.00 0.00 0.00 54.91 54.26 2juz h ALA 10 Cb 0.28 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 2juz h ALA 10 CO 0.00 0.70 -0.15 0.37 0.00 0.00 0.00 179.25 180.17 2juz h GLN 11 N 0.52 0.48 -0.08 0.00 5.75 -1.52 -2.00 115.11 118.26 2juz h GLN 11 Ca -0.03 -0.23 0.04 0.00 -0.15 0.00 0.00 58.65 58.28 2juz h GLN 11 Cb 1.30 -0.00 -0.04 0.00 1.07 0.00 0.00 27.48 29.81 2juz h GLN 11 CO 0.14 0.79 -0.18 1.25 -2.65 0.00 0.00 178.83 178.18 2juz h LEU 12 N 0.18 -0.54 -0.84 -2.39 7.12 -0.63 -1.46 115.31 116.74 2juz h LEU 12 Ca 0.04 0.09 0.05 0.00 0.13 0.00 0.00 57.88 58.20 2juz h LEU 12 Cb 0.67 0.24 -0.06 0.00 -0.53 0.00 0.00 40.66 40.98 2juz h LEU 12 CO 0.04 -0.23 0.53 0.28 -0.13 0.00 0.00 178.44 178.92 2juz h SER 13 N -0.25 0.84 -0.50 1.25 0.02 -0.90 -1.11 113.55 112.90 2juz h SER 13 Ca 0.08 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.02 2juz h SER 13 Cb 0.37 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.71 2juz h SER 13 CO -0.23 0.55 0.23 0.00 -1.14 0.00 0.00 176.83 176.24 2juz h ALA 14 N 1.39 1.40 0.05 3.77 0.00 -0.85 -0.12 119.26 124.89 2juz h ALA 14 Ca 0.36 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 2juz h ALA 14 Cb 0.13 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2juz h ALA 14 CO -0.16 0.46 -0.02 0.82 0.00 0.00 0.00 179.25 180.35 2juz h ILE 15 N 0.76 1.25 -0.60 0.00 2.04 -0.20 -1.95 117.51 118.81 2juz h ILE 15 Ca 0.19 -1.07 -0.07 0.00 1.00 0.00 0.00 64.86 64.91 2juz h ILE 15 Cb 0.12 1.95 -0.02 0.00 -0.74 0.00 0.00 36.82 38.13 2juz h ILE 15 CO -0.02 0.27 0.10 0.58 0.00 0.00 0.00 178.15 179.08 2juz h VAL 16 N -0.55 1.26 0.00 1.67 2.07 -1.09 -1.77 116.25 117.85 2juz h VAL 16 Ca -0.01 -0.99 -0.08 0.00 0.82 0.00 0.00 66.70 66.44 2juz h VAL 16 Cb 0.49 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 2juz h VAL 16 CO 0.01 0.36 -0.40 0.78 0.02 0.00 0.00 177.57 178.34 2juz h ASN 17 N 0.90 0.00 -0.02 0.57 2.35 -1.09 -1.89 115.58 116.40 2juz h ASN 17 Ca 0.18 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.93 2juz h ASN 17 Cb 0.41 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.78 2juz h ASN 17 CO 0.01 0.40 -0.01 -0.78 -1.65 0.00 0.00 177.43 175.40 2juz h ASP 18 N 0.00 0.05 -0.43 5.81 3.58 -0.87 0.18 116.42 124.74 2juz h ASP 18 Ca -0.00 -0.44 0.09 0.00 0.42 0.00 0.00 57.03 57.09 2juz h ASP 18 Cb 0.72 -0.01 -0.09 0.00 1.72 0.00 0.00 39.33 41.67 2juz h ASP 18 CO 0.05 0.48 -0.14 0.24 -2.88 0.00 0.00 179.24 177.00 2juz h MET 19 N -0.38 -0.04 -0.22 0.28 2.86 -1.14 0.40 114.93 116.68 2juz h MET 19 Ca 0.00 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.63 2juz h MET 19 Cb 0.47 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.13 2juz h MET 19 CO 0.00 -0.03 0.07 0.82 1.06 0.00 0.00 176.91 178.83 2juz h ILE 20 N -0.04 1.19 -0.32 -1.22 2.04 -1.30 -1.56 117.51 116.31 2juz h ILE 20 Ca 0.21 -0.62 -0.02 0.00 1.00 0.00 0.00 64.86 65.43 2juz h ILE 20 Cb 0.36 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 37.62 2juz h ILE 20 CO -0.47 0.20 0.13 0.00 0.00 0.00 0.00 178.15 178.01 2juz h ALA 21 N 0.89 0.42 -0.62 1.87 0.00 0.05 0.30 119.26 122.17 2juz h ALA 21 Ca 0.07 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 2juz h ALA 21 Cb 0.24 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 2juz h ALA 21 CO -0.00 0.02 0.28 0.28 0.00 0.00 0.00 179.25 179.82 2juz h VAL 22 N 0.37 1.22 -0.50 0.00 2.07 -0.22 0.17 116.25 119.36 2juz h VAL 22 Ca 0.11 -0.66 -0.04 0.00 0.82 0.00 0.00 66.70 66.93 2juz h VAL 22 Cb 0.19 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 2juz h VAL 22 CO -0.01 0.26 0.16 0.25 0.02 0.00 0.00 177.57 178.26 2juz h LEU 23 N 0.86 0.72 -1.28 2.57 5.85 -1.05 -2.58 115.31 120.41 2juz h LEU 23 Ca 0.21 -0.20 0.01 0.00 0.84 0.00 0.00 57.88 58.74 2juz h LEU 23 Cb 0.16 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 40.96 2juz h LEU 23 CO -0.02 0.74 0.49 -0.08 -0.34 0.00 0.00 178.44 179.22 2juz h GLU 24 N 0.67 0.96 0.00 1.25 4.81 0.11 0.33 114.58 122.71 2juz h GLU 24 Ca 0.16 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 2juz h GLU 24 Cb 0.27 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.43 2juz h GLU 24 CO -0.01 0.63 0.00 1.63 -0.73 0.00 0.00 179.01 180.54 2juz n LYS 25 N -4.43 0.16 -0.10 1.92 4.01 0.54 -1.81 118.16 118.45 2juz n LYS 25 Ca 0.08 0.36 -0.10 0.00 -0.51 0.00 0.00 58.31 58.14 2juz n LYS 25 Cb 0.05 -1.78 -0.14 0.00 -0.51 0.00 0.00 35.03 32.64 2juz n LYS 25 CO 0.00 0.00 0.00 1.58 -1.11 0.00 0.00 177.40 177.87 2juz n HIS 26 N -2.08 0.00 -2.36 2.13 -0.00 -0.71 -5.08 115.22 107.12 2juz n HIS 26 Ca 0.03 0.00 -0.01 0.00 0.46 0.00 0.00 57.72 58.19 2juz n HIS 26 Cb 0.24 -0.93 -0.01 0.00 -0.12 0.00 0.00 29.99 29.17 2juz n HIS 26 CO 0.00 0.00 0.00 1.17 0.46 0.00 0.00 176.34 177.97 2juz n LYS 27 N -2.76 -2.85 -4.06 1.57 4.81 0.11 -5.04 118.16 109.94 2juz n LYS 27 Ca -0.32 2.35 -0.36 0.00 -0.87 0.00 0.00 58.31 59.11 2juz n LYS 27 Cb 1.09 -4.13 -0.07 0.00 0.02 0.00 0.00 35.03 31.93 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 -0.95 3.64 0.64 3.14 0.00 -1.25 -5.04 121.76 121.94 2juz s ALA 28 Ca -0.07 -0.71 -0.17 0.00 0.00 0.00 0.00 51.96 51.02 2juz s ALA 28 Cb 0.00 -1.80 -0.01 0.00 0.00 0.00 0.00 23.12 21.32 2juz s ALA 28 CO 0.58 0.58 1.16 -2.14 0.00 0.00 0.00 175.76 175.94 2juz s PRO 29 N -0.88 2.75 0.49 0.00 0.02 -1.26 -4.72 135.00 131.38 2juz s PRO 29 Ca 0.14 1.63 0.16 0.00 0.02 0.00 0.00 61.00 62.95 2juz s PRO 29 Cb -0.12 -1.92 1.19 0.00 0.02 0.00 0.00 34.50 33.67 2juz s PRO 29 CO 0.03 -1.34 2.06 0.28 -0.33 0.00 0.00 177.00 177.70 2juz h VAL 30 N 0.33 0.93 -0.00 3.83 2.07 -1.98 0.27 116.25 121.69 2juz h VAL 30 Ca -0.48 -0.06 -0.00 0.00 0.82 0.00 0.00 66.70 66.98 2juz h VAL 30 Cb 1.27 0.74 0.00 0.00 -1.52 0.00 0.00 31.29 31.78 2juz h VAL 30 CO 0.54 0.03 -0.00 -0.78 0.02 0.00 0.00 177.57 177.37 2juz h ASP 31 N 0.17 0.00 -0.08 0.57 3.58 -2.00 -3.08 116.42 115.58 2juz h ASP 31 Ca 0.15 -0.70 -0.12 0.00 0.42 0.00 0.00 57.03 56.78 2juz h ASP 31 Cb 0.36 -0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.40 2juz h ASP 31 CO -0.02 0.70 -0.33 -0.07 -2.88 0.00 0.00 179.24 176.65 2juz h LEU 32 N -0.70 0.58 -0.84 2.28 3.38 -1.73 -2.47 115.31 115.81 2juz h LEU 32 Ca -0.00 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 57.70 2juz h LEU 32 Cb 0.70 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.26 2juz h LEU 32 CO 0.00 0.87 0.35 0.77 0.09 0.00 0.00 178.44 180.52 2juz h SER 33 N 0.48 1.10 -0.25 -0.43 4.64 -0.61 0.46 113.55 118.94 2juz h SER 33 Ca 0.06 -0.15 -0.10 0.00 -0.47 0.00 0.00 61.79 61.13 2juz h SER 33 Cb 0.80 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 62.59 2juz h SER 33 CO 0.07 0.95 -0.16 -0.07 -0.87 0.00 0.00 176.83 176.75 2juz h LEU 34 N 1.18 0.68 -0.15 5.97 3.38 -1.41 -0.13 115.31 124.81 2juz h LEU 34 Ca 0.28 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 2juz h LEU 34 Cb 0.18 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 2juz h LEU 34 CO -0.03 0.85 -0.05 0.40 0.09 0.00 0.00 178.44 179.70 2juz h ILE 35 N 0.61 1.30 -0.42 1.22 2.04 -0.95 0.31 117.51 121.62 2juz h ILE 35 Ca 0.10 -1.04 0.03 0.00 1.00 0.00 0.00 64.86 64.94 2juz h ILE 35 Cb 0.62 1.67 -0.03 0.00 -0.74 0.00 0.00 36.82 38.34 2juz h ILE 35 CO 0.04 0.31 0.22 0.00 0.00 0.00 0.00 178.15 178.72 2juz h ALA 36 N 0.70 0.52 -0.52 1.87 0.00 -0.80 0.11 119.26 121.14 2juz h ALA 36 Ca 0.04 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 2juz h ALA 36 Cb 0.50 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 2juz h ALA 36 CO 0.02 -0.13 -0.04 1.25 0.00 0.00 0.00 179.25 180.35 2juz h LEU 37 N 0.44 0.93 0.04 0.00 5.85 -0.95 -0.97 115.31 120.65 2juz h LEU 37 Ca 0.18 -0.32 -0.00 0.00 0.84 0.00 0.00 57.88 58.57 2juz h LEU 37 Cb 0.07 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 40.85 2juz h LEU 37 CO -0.11 1.03 -0.02 1.23 -0.34 0.00 0.00 178.44 180.23 2juz h GLY 38 N 0.81 -0.05 1.02 3.75 0.00 0.05 0.40 103.07 109.04 2juz h GLY 38 Ca 0.14 0.02 -0.00 0.00 0.00 0.00 0.00 47.33 47.49 2juz h GLY 38 CO 0.03 -0.02 0.59 3.43 0.00 0.00 0.00 176.54 180.57 2juz h ASN 39 N -0.14 1.13 -0.08 0.19 4.21 -0.76 -1.45 115.58 118.67 2juz h ASN 39 Ca -0.00 -0.06 -0.03 0.00 1.21 0.00 0.00 56.30 57.42 2juz h ASN 39 Cb 0.13 -0.28 -0.00 0.00 -1.12 0.00 0.00 38.32 37.04 2juz h ASN 39 CO 0.01 0.85 -0.07 -0.03 -1.29 0.00 0.00 177.43 176.90 2juz h MET 40 N 1.30 0.19 -0.25 0.81 4.05 -0.92 -2.49 114.93 117.62 2juz h MET 40 Ca 0.34 -0.09 0.03 0.00 -0.28 0.00 0.00 59.70 59.69 2juz h MET 40 Cb -0.08 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 30.69 2juz h MET 40 CO -0.07 0.60 0.09 0.00 0.23 0.00 0.00 176.91 177.76 2juz h ALA 41 N 0.59 0.28 -0.29 0.39 0.00 -0.07 -0.47 119.26 119.69 2juz h ALA 41 Ca 0.02 0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.97 2juz h ALA 41 Cb 0.55 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 2juz h ALA 41 CO 0.02 -0.32 0.14 0.77 0.00 0.00 0.00 179.25 179.85 2juz h SER 42 N 0.20 0.20 -0.09 0.00 0.02 -1.29 0.14 113.55 112.72 2juz h SER 42 Ca 0.11 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 2juz h SER 42 Cb 0.08 -0.02 -0.00 0.00 0.14 0.00 0.00 62.40 62.59 2juz h SER 42 CO -0.11 0.15 0.06 -1.13 -1.14 0.00 0.00 176.83 174.66 2juz h ASN 43 N 0.29 0.11 -0.28 3.07 -1.24 -1.15 -1.15 115.58 115.23 2juz h ASN 43 Ca 0.12 -0.03 -0.05 0.00 0.71 0.00 0.00 56.30 57.06 2juz h ASN 43 Cb 0.05 -0.03 -0.02 0.00 0.73 0.00 0.00 38.32 39.05 2juz h ASN 43 CO -0.09 0.10 0.03 -0.07 -1.29 0.00 0.00 177.43 176.12 2juz h LEU 44 N 0.11 0.54 -0.20 0.34 3.38 -0.79 -0.93 115.31 117.76 2juz h LEU 44 Ca 0.03 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2juz h LEU 44 Cb 0.01 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.62 2juz h LEU 44 CO -0.01 0.59 0.00 0.18 0.09 0.00 0.00 178.44 179.29 2juz n LEU 45 N -4.29 0.67 -0.37 1.67 4.77 0.45 0.14 117.00 120.04 2juz n LEU 45 Ca 0.02 0.59 0.09 0.00 -0.03 0.00 0.00 56.01 56.68 2juz n LEU 45 Cb 0.23 -0.42 -0.01 0.00 -2.33 0.00 0.00 43.42 40.89 2juz n LEU 45 CO 0.39 -0.28 0.25 0.35 -1.33 0.00 0.00 177.39 176.77 2juz n THR 46 N -2.16 0.00 0.00 -5.08 -2.24 -0.47 -4.60 114.28 99.73 2juz n THR 46 Ca 0.05 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 2juz n THR 46 Cb 0.35 1.19 0.00 0.00 -2.10 0.00 0.00 70.33 69.78 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 -0.21 0.00 -0.04 4.28 -2.24 -0.46 -4.83 114.28 110.78 2juz n THR 47 Ca 0.07 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.64 2juz n THR 47 Cb 0.37 -0.26 -0.13 0.00 -2.10 0.00 0.00 70.33 68.21 2juz n THR 47 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2juz n SER 48 N -1.91 2.05 -4.78 3.42 7.64 0.12 -4.84 113.62 115.33 2juz n SER 48 Ca 0.00 0.20 -0.39 0.00 1.01 0.00 0.00 58.87 59.69 2juz n SER 48 Cb 0.24 -0.82 -0.06 0.00 -1.01 0.00 0.00 64.21 62.56 2juz n SER 48 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2juz s VAL 49 N -2.52 4.48 -0.63 0.44 0.11 -0.97 -4.92 120.40 116.39 2juz s VAL 49 Ca -0.26 1.61 -0.32 0.00 -2.93 0.00 0.00 61.98 60.07 2juz s VAL 49 Cb 0.07 -4.09 -0.17 0.00 -1.53 0.00 0.00 36.38 30.66 2juz s VAL 49 CO 0.70 0.51 2.05 -2.65 -3.33 0.00 0.00 175.10 172.38 2juz n PRO 50 N 1.76 0.00 0.08 1.54 -0.02 -1.26 -4.73 135.00 132.37 2juz n PRO 50 Ca -0.06 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.53 2juz n PRO 50 Cb 0.49 -1.28 0.45 0.00 -0.02 0.00 0.00 33.50 33.14 2juz n PRO 50 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2juz n GLN 51 N 6.80 0.15 0.00 -0.52 10.64 -1.26 -1.25 117.38 131.94 2juz n GLN 51 Ca 0.51 0.30 0.08 0.00 -1.83 0.00 0.00 57.00 56.07 2juz n GLN 51 Cb -0.01 -1.74 0.36 0.00 -0.86 0.00 0.00 30.24 28.00 2juz n GLN 51 CO 0.00 0.00 0.00 -2.37 -1.83 0.00 0.00 177.06 172.86 2juz n THR 52 N -2.01 0.82 -1.99 -0.39 5.66 -1.26 -2.38 114.28 112.72 2juz n THR 52 Ca 0.04 0.20 0.03 0.00 -3.05 0.00 0.00 64.05 61.27 2juz n THR 52 Cb 0.27 -0.91 0.04 0.00 -1.55 0.00 0.00 70.33 68.17 2juz n THR 52 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2juz n GLN 53 N -1.49 0.26 -0.01 1.09 6.02 -0.38 -4.95 117.38 117.93 2juz n GLN 53 Ca 0.04 -1.61 -0.11 0.00 -0.01 0.00 0.00 57.00 55.31 2juz n GLN 53 Cb 0.19 -0.56 -0.04 0.00 1.02 0.00 0.00 30.24 30.85 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 0.61 -0.05 0.00 4.81 -1.90 0.05 114.58 117.71 2juz h GLU 55 Ca 0.10 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.29 2juz h GLU 55 Cb 0.56 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.80 2juz h GLU 55 CO -0.38 0.41 0.02 0.00 -0.73 0.00 0.00 179.01 178.33 2juz h ALA 56 N 1.18 0.06 -0.28 2.92 0.00 -1.80 -2.20 119.26 119.14 2juz h ALA 56 Ca 0.18 -0.09 -0.17 0.00 0.00 0.00 0.00 54.91 54.83 2juz h ALA 56 Cb -0.05 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 2juz h ALA 56 CO -0.05 -0.36 -0.50 -0.07 0.00 0.00 0.00 179.25 178.27 2juz h LEU 57 N -0.08 0.86 -0.57 0.00 3.38 -0.78 0.10 115.31 118.22 2juz h LEU 57 Ca 0.02 -0.44 -0.04 0.00 0.09 0.00 0.00 57.88 57.51 2juz h LEU 57 Cb 0.16 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 2juz h LEU 57 CO -0.00 1.21 0.21 0.00 0.09 0.00 0.00 178.44 179.95 2juz h ALA 58 N 0.82 0.74 0.00 1.53 0.00 -0.98 0.13 119.26 121.50 2juz h ALA 58 Ca 0.03 -0.18 -0.17 0.00 0.00 0.00 0.00 54.91 54.59 2juz h ALA 58 Cb 1.08 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 2juz h ALA 58 CO 0.11 0.37 -0.81 1.96 0.00 0.00 0.00 179.25 180.89 2juz h GLN 59 N 0.79 0.01 -0.10 0.00 4.20 -1.31 -2.25 115.11 116.45 2juz h GLN 59 Ca 0.19 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.88 2juz h GLN 59 Cb 0.23 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.01 2juz h GLN 59 CO -0.01 0.81 0.02 0.00 -0.67 0.00 0.00 178.83 178.98 2juz h ALA 60 N 1.19 0.13 -0.59 3.87 0.00 -0.47 -0.80 119.26 122.59 2juz h ALA 60 Ca -0.01 -0.13 0.08 0.00 0.00 0.00 0.00 54.91 54.85 2juz h ALA 60 Cb 1.43 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 19.11 2juz h ALA 60 CO 0.11 -0.25 0.25 0.35 0.00 0.00 0.00 179.25 179.70 2juz h PHE 61 N -0.05 0.44 0.59 0.00 3.57 -0.72 -0.31 116.94 120.46 2juz h PHE 61 Ca 0.03 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.54 2juz h PHE 61 Cb 0.24 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.87 2juz h PHE 61 CO 0.00 0.14 -0.39 0.77 -2.23 0.00 0.00 178.31 176.60 2juz h SER 62 N 0.45 -1.01 -0.74 0.41 0.02 -1.24 0.32 113.55 111.76 2juz h SER 62 Ca 0.29 0.06 0.04 0.00 -0.84 0.00 0.00 61.79 61.34 2juz h SER 62 Cb 0.31 0.30 -0.05 0.00 0.14 0.00 0.00 62.40 63.11 2juz h SER 62 CO -0.26 -0.60 0.46 0.78 -1.14 0.00 0.00 176.83 176.06 2juz h ASN 63 N -0.95 0.74 0.49 3.07 2.35 -0.81 -0.09 115.58 120.37 2juz h ASN 63 Ca -0.07 0.01 -0.11 0.00 -0.55 0.00 0.00 56.30 55.58 2juz h ASN 63 Cb 0.78 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.98 2juz h ASN 63 CO 0.05 0.50 -0.50 0.28 -1.65 0.00 0.00 177.43 176.12 2juz h SER 64 N 0.88 0.02 -0.45 5.81 0.02 -1.00 -2.60 113.55 116.23 2juz h SER 64 Ca 0.30 -0.01 -0.13 0.00 -0.84 0.00 0.00 61.79 61.12 2juz h SER 64 Cb 0.06 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 2juz h SER 64 CO -0.13 0.51 -0.20 0.25 -1.14 0.00 0.00 176.83 176.13 2juz h LEU 65 N 0.01 0.97 -0.16 5.07 5.85 0.33 -1.82 115.31 125.57 2juz h LEU 65 Ca -0.00 -0.36 0.02 0.00 0.84 0.00 0.00 57.88 58.38 2juz h LEU 65 Cb 0.89 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 2juz h LEU 65 CO 0.07 1.14 0.04 0.40 -0.34 0.00 0.00 178.44 179.75 2juz h ILE 66 N 0.83 0.95 -0.41 4.05 1.08 -0.75 -0.67 117.51 122.59 2juz h ILE 66 Ca 0.11 -0.04 -0.05 0.00 -0.39 0.00 0.00 64.86 64.50 2juz h ILE 66 Cb 0.76 0.83 -0.02 0.00 -3.07 0.00 0.00 36.82 35.32 2juz h ILE 66 CO 0.06 0.02 0.06 -1.13 -0.69 0.00 0.00 178.15 176.48 2juz h ASN 67 N 0.12 0.59 -0.38 1.72 -1.24 -1.39 0.11 115.58 115.11 2juz h ASN 67 Ca 0.07 -0.10 -0.02 0.00 0.71 0.00 0.00 56.30 56.96 2juz h ASN 67 Cb 0.05 -0.15 -0.02 0.00 0.73 0.00 0.00 38.32 38.93 2juz h ASN 67 CO -0.08 0.61 0.17 0.00 -1.29 0.00 0.00 177.43 176.84 2juz h ALA 68 N 1.46 0.49 -0.40 1.57 0.00 -0.78 0.33 119.26 121.93 2juz h ALA 68 Ca 0.14 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2juz h ALA 68 Cb 0.29 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2juz h ALA 68 CO 0.00 0.07 0.19 0.28 0.00 0.00 0.00 179.25 179.79 2juz h VAL 69 N 0.46 1.18 -0.44 0.00 2.07 -0.58 -0.42 116.25 118.52 2juz h VAL 69 Ca 0.13 -0.51 0.02 0.00 0.82 0.00 0.00 66.70 67.17 2juz h VAL 69 Cb 0.15 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 2juz h VAL 69 CO -0.01 0.19 0.25 0.11 0.02 0.00 0.00 177.57 178.13 2juz h LYS 70 N 0.50 0.49 -0.10 1.57 1.57 -0.79 -2.01 116.57 117.80 2juz h LYS 70 Ca 0.14 -0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 58.81 2juz h LYS 70 Cb 0.13 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 2juz h LYS 70 CO -0.02 0.32 -0.30 1.15 -0.57 0.00 0.00 179.45 180.04 2juz h THR 71 N 0.50 1.25 -0.47 -0.16 2.02 -0.73 0.39 112.91 115.71 2juz h THR 71 Ca 0.18 -1.19 0.03 0.00 0.77 0.00 0.00 66.41 66.20 2juz h THR 71 Cb 0.04 1.51 -0.04 0.00 -1.74 0.00 0.00 68.15 67.92 2juz h THR 71 CO -0.10 0.35 0.25 -0.09 0.37 0.00 0.00 175.52 176.31 2juz h ARG 72 N 0.16 0.49 0.00 6.66 9.65 -0.35 -3.31 114.38 127.68 2juz h ARG 72 Ca 0.02 -0.03 -0.20 0.00 -1.10 0.00 0.00 59.98 58.67 2juz h ARG 72 Cb 0.61 -0.11 -0.03 0.00 -1.39 0.00 0.00 29.97 29.06 2juz h ARG 72 CO 0.04 0.32 -1.16 1.25 2.80 0.00 0.00 179.97 183.23 2juz h LEU 73 N 0.50 0.00 -9.38 3.80 6.46 -1.22 -3.47 115.31 112.00 2juz h LEU 73 Ca 0.20 -0.46 -0.54 0.00 -0.12 0.00 0.00 57.88 56.95 2juz h LEU 73 Cb 0.08 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.00 2juz h LEU 73 CO -0.12 1.40 0.72 -0.70 -0.62 0.00 0.00 178.44 179.12 2juz s GLU 74 N -2.34 4.34 0.00 1.25 2.56 0.14 -4.88 118.70 119.77 2juz s GLU 74 Ca -0.27 1.81 0.00 0.00 0.00 0.00 0.00 54.97 56.51 2juz s GLU 74 Cb 0.05 -3.50 0.00 0.00 2.00 0.00 0.00 34.13 32.68 2juz s GLU 74 CO 0.55 -0.45 0.72 0.72 -0.56 0.00 0.00 175.26 176.25 2juz n HIS 75 N 4.94 0.00 -2.21 5.30 8.25 -1.26 -4.68 115.22 125.56 2juz n HIS 75 Ca 0.11 -0.26 -0.40 0.00 -0.26 0.00 0.00 57.72 56.91 2juz n HIS 75 Cb 0.45 -0.03 -0.03 0.00 1.12 0.00 0.00 29.99 31.51 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 -0.52 1.91 -1.02 4.41 3.76 -1.26 -4.92 115.29 117.65 2juz s HIS 76 Ca 0.00 0.55 -0.16 0.00 -0.15 0.00 0.00 55.06 55.29 2juz s HIS 76 Cb 0.00 -4.26 0.16 0.00 1.11 0.00 0.00 32.58 29.59 2juz s HIS 76 CO 0.00 -2.24 1.19 -1.58 -0.85 0.00 0.00 174.74 171.26 2juz s HIS 77 N 7.72 3.36 -0.30 1.40 2.46 -1.26 -4.83 115.29 123.84 2juz s HIS 77 Ca 0.59 -1.75 -0.16 0.00 0.47 0.00 0.00 55.06 54.21 2juz s HIS 77 Cb -0.12 -4.22 0.17 0.00 -0.13 0.00 0.00 32.58 28.28 2juz s HIS 77 CO 0.21 -1.38 1.14 -1.58 -2.47 0.00 0.00 174.74 170.66 2juz s HIS 78 N 1.89 -0.31 -0.16 3.88 5.04 -1.26 -5.04 115.29 119.32 2juz s HIS 78 Ca 0.34 0.35 0.00 0.00 -1.54 0.00 0.00 55.06 54.21 2juz s HIS 78 Cb -0.05 0.12 0.02 0.00 0.04 0.00 0.00 32.58 32.70 2juz s HIS 78 CO -0.06 -0.17 0.94 -2.39 -2.34 0.00 0.00 174.74 170.72 2juz n HIS 79 N 5.43 0.07 -1.27 3.88 1.44 -1.26 -5.24 115.22 118.27 2juz n HIS 79 Ca -0.08 -0.45 0.00 0.00 -2.01 0.00 0.00 57.72 55.18 2juz n HIS 79 Cb 0.54 -0.24 0.00 0.00 0.12 0.00 0.00 29.99 30.41 2juz n HIS 79 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11