#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 1.54 -2.47 3.04 0.00 -1.26 -5.01 120.51 116.36 2juz n ALA 2 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 2juz n ALA 2 Cb 0.00 0.13 -0.10 0.00 0.00 0.00 0.00 19.45 19.49 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 -1.51 3.02 -0.19 0.00 2.00 -1.26 -4.91 119.66 116.80 2juz s GLN 3 Ca 0.00 -0.94 -0.04 0.00 -2.00 0.00 0.00 55.36 52.38 2juz s GLN 3 Cb 0.00 -3.97 -0.21 0.00 0.80 0.00 0.00 33.01 29.63 2juz s GLN 3 CO 0.00 -0.77 0.06 1.58 -0.50 0.00 0.00 175.29 175.66 2juz n HIS 4 N 5.28 0.64 -3.39 1.67 -0.00 -1.26 -4.87 115.22 113.28 2juz n HIS 4 Ca -0.10 0.15 -0.12 0.00 -0.00 0.00 0.00 57.72 57.65 2juz n HIS 4 Cb 0.47 -1.08 -0.09 0.00 -0.00 0.00 0.00 29.99 29.29 2juz n HIS 4 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2juz s SER 5 N -6.84 0.63 0.41 0.26 0.15 -1.26 -5.02 113.70 102.04 2juz s SER 5 Ca -0.29 0.04 0.19 0.00 0.70 0.00 0.00 55.95 56.58 2juz s SER 5 Cb 0.08 0.88 0.89 0.00 -1.71 0.00 0.00 66.02 66.16 2juz s SER 5 CO 0.67 -0.31 1.85 0.50 1.20 0.00 0.00 173.24 177.14 2juz h LYS 6 N 8.22 0.00 0.01 5.44 3.64 -2.00 -3.28 116.57 128.60 2juz h LYS 6 Ca -0.18 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.20 2juz h LYS 6 Cb 1.15 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 2juz h LYS 6 CO 0.28 0.31 -0.00 1.88 -2.27 0.00 0.00 179.45 179.64 2juz h TYR 7 N 0.00 -0.01 0.00 1.91 -1.99 -2.03 -3.49 116.97 111.36 2juz h TYR 7 Ca -0.00 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 2juz h TYR 7 Cb 0.68 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.41 2juz h TYR 7 CO 0.00 -0.00 0.00 0.45 -0.00 0.00 0.00 178.16 178.61 2juz n SER 8 N -2.07 0.00 0.27 3.88 2.88 -1.24 -4.97 113.62 112.38 2juz n SER 8 Ca -0.00 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.68 2juz n SER 8 Cb 0.00 0.00 0.76 0.00 -0.75 0.00 0.00 64.21 64.22 2juz n SER 8 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 2juz h ASP 9 N 0.00 0.00 -0.02 -3.46 3.32 -1.96 -0.95 116.42 113.35 2juz h ASP 9 Ca 0.00 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.83 2juz h ASP 9 Cb 0.00 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.56 2juz h ASP 9 CO 0.00 0.10 -0.79 0.00 -1.72 0.00 0.00 179.24 176.83 2juz h ALA 10 N 1.90 0.37 -0.33 3.45 0.00 -1.96 -2.11 119.26 120.58 2juz h ALA 10 Ca -0.00 -0.61 -0.18 0.00 0.00 0.00 0.00 54.91 54.12 2juz h ALA 10 Cb 0.33 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 2juz h ALA 10 CO 0.01 0.71 -0.49 1.96 0.00 0.00 0.00 179.25 181.44 2juz h GLN 11 N 0.46 0.91 0.57 0.00 1.08 -1.80 -2.34 115.11 113.98 2juz h GLN 11 Ca -0.05 -0.54 -0.02 0.00 -1.45 0.00 0.00 58.65 56.58 2juz h GLN 11 Cb 1.41 0.05 -0.00 0.00 -0.05 0.00 0.00 27.48 28.88 2juz h GLN 11 CO 0.16 1.19 -0.34 1.25 -0.95 0.00 0.00 178.83 180.13 2juz h LEU 12 N 0.72 -0.86 -1.25 1.46 5.85 -1.18 -2.38 115.31 117.67 2juz h LEU 12 Ca 0.03 0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.83 2juz h LEU 12 Cb 1.10 0.25 -0.04 0.00 0.37 0.00 0.00 40.66 42.33 2juz h LEU 12 CO 0.11 -0.54 0.52 0.77 -0.34 0.00 0.00 178.44 178.96 2juz h SER 13 N -0.86 0.85 -0.66 1.25 4.64 -1.44 -1.38 113.55 115.95 2juz h SER 13 Ca -0.07 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 2juz h SER 13 Cb 0.70 -0.20 -0.03 0.00 -0.31 0.00 0.00 62.40 62.55 2juz h SER 13 CO 0.08 0.60 0.42 0.00 -0.87 0.00 0.00 176.83 177.05 2juz h ALA 14 N 1.53 1.48 -0.28 5.18 0.00 -1.23 0.26 119.26 126.21 2juz h ALA 14 Ca 0.30 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 55.04 2juz h ALA 14 Cb -0.01 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 2juz h ALA 14 CO -0.08 0.46 -0.26 0.82 0.00 0.00 0.00 179.25 180.19 2juz h ILE 15 N 0.92 1.30 0.00 0.00 2.04 -0.74 -2.03 117.51 119.00 2juz h ILE 15 Ca 0.24 -1.42 -0.09 0.00 1.00 0.00 0.00 64.86 64.59 2juz h ILE 15 Cb -0.07 1.59 -0.01 0.00 -0.74 0.00 0.00 36.82 37.60 2juz h ILE 15 CO -0.05 0.45 -0.41 0.58 0.00 0.00 0.00 178.15 178.72 2juz h VAL 16 N 0.40 1.09 -0.13 1.67 2.07 -0.98 -2.21 116.25 118.15 2juz h VAL 16 Ca 0.05 -1.53 -0.09 0.00 0.82 0.00 0.00 66.70 65.94 2juz h VAL 16 Cb 0.82 1.88 -0.01 0.00 -1.52 0.00 0.00 31.29 32.46 2juz h VAL 16 CO 0.07 0.41 -0.33 0.78 0.02 0.00 0.00 177.57 178.51 2juz h ASN 17 N 0.00 0.27 -0.36 0.57 2.35 -0.33 -1.97 115.58 116.11 2juz h ASN 17 Ca -0.00 -0.09 -0.11 0.00 -0.55 0.00 0.00 56.30 55.55 2juz h ASN 17 Cb 0.85 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 39.13 2juz h ASN 17 CO 0.05 0.59 -0.19 -0.78 -1.65 0.00 0.00 177.43 175.45 2juz h ASP 18 N 0.23 0.79 -0.67 5.81 3.58 -0.79 -2.11 116.42 123.25 2juz h ASP 18 Ca 0.03 -0.41 0.12 0.00 0.42 0.00 0.00 57.03 57.18 2juz h ASP 18 Cb 0.70 -0.22 -0.08 0.00 1.72 0.00 0.00 39.33 41.45 2juz h ASP 18 CO 0.05 1.02 0.24 0.24 -2.88 0.00 0.00 179.24 177.92 2juz h MET 19 N 0.55 0.39 -0.77 0.28 2.86 -1.09 0.48 114.93 117.63 2juz h MET 19 Ca 0.08 -0.02 0.03 0.00 -2.06 0.00 0.00 59.70 57.73 2juz h MET 19 Cb 0.73 -0.09 -0.05 0.00 0.06 0.00 0.00 31.60 32.26 2juz h MET 19 CO 0.06 0.26 0.49 0.82 1.06 0.00 0.00 176.91 179.59 2juz h ILE 20 N 0.41 1.12 -0.48 -1.22 2.04 -1.15 -1.03 117.51 117.20 2juz h ILE 20 Ca 0.35 -0.33 -0.10 0.00 1.00 0.00 0.00 64.86 65.79 2juz h ILE 20 Cb 0.49 0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 36.63 2juz h ILE 20 CO -0.36 0.17 -0.09 0.00 0.00 0.00 0.00 178.15 177.87 2juz h ALA 21 N 1.32 0.95 -0.50 1.87 0.00 -0.23 0.02 119.26 122.69 2juz h ALA 21 Ca 0.31 -0.32 0.03 0.00 0.00 0.00 0.00 54.91 54.92 2juz h ALA 21 Cb 0.01 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 2juz h ALA 21 CO -0.11 0.62 0.29 0.28 0.00 0.00 0.00 179.25 180.33 2juz h VAL 22 N 0.77 1.04 -0.40 0.00 2.07 0.56 0.10 116.25 120.40 2juz h VAL 22 Ca 0.13 -0.20 -0.04 0.00 0.82 0.00 0.00 66.70 67.41 2juz h VAL 22 Cb 0.59 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 2juz h VAL 22 CO 0.04 0.11 0.09 -0.07 0.02 0.00 0.00 177.57 177.76 2juz h LEU 23 N 0.58 0.61 -2.23 2.57 3.38 -0.96 -2.70 115.31 116.56 2juz h LEU 23 Ca 0.20 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2juz h LEU 23 Cb 0.03 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 2juz h LEU 23 CO -0.10 0.69 0.01 -0.08 0.09 0.00 0.00 178.44 179.05 2juz h GLU 24 N 0.51 0.00 -0.10 1.13 4.57 -0.34 0.39 114.58 120.74 2juz h GLU 24 Ca 0.13 0.00 0.02 0.00 -1.18 0.00 0.00 59.36 58.33 2juz h GLU 24 Cb 0.32 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.89 2juz h GLU 24 CO 0.00 0.00 -0.02 0.87 -1.18 0.00 0.00 179.01 178.68 2juz h LYS 25 N 0.00 -0.00 0.00 1.92 1.57 -0.46 -3.19 116.57 116.40 2juz h LYS 25 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2juz h LYS 25 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.33 2juz h LYS 25 CO -0.00 -0.00 -1.64 0.72 -0.57 0.00 0.00 179.45 177.96 2juz n HIS 26 N -5.14 0.18 -3.40 -1.35 8.25 -0.94 -5.00 115.22 107.82 2juz n HIS 26 Ca -0.05 0.05 -0.20 0.00 -0.26 0.00 0.00 57.72 57.27 2juz n HIS 26 Cb 0.08 -0.52 0.06 0.00 1.12 0.00 0.00 29.99 30.73 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 -2.22 -2.38 -3.54 -0.41 4.81 0.13 -4.99 118.16 109.56 2juz n LYS 27 Ca -0.02 0.75 -0.26 0.00 -0.87 0.00 0.00 58.31 57.91 2juz n LYS 27 Cb 0.53 -5.35 -0.02 0.00 0.02 0.00 0.00 35.03 30.20 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 -3.42 3.75 1.02 3.14 0.00 -1.24 -5.07 121.76 119.95 2juz s ALA 28 Ca 0.41 -0.85 -0.14 0.00 0.00 0.00 0.00 51.96 51.38 2juz s ALA 28 Cb -0.08 -2.07 0.20 0.00 0.00 0.00 0.00 23.12 21.17 2juz s ALA 28 CO 0.78 0.21 1.12 -1.25 0.00 0.00 0.00 175.76 176.62 2juz s PRO 29 N -3.80 0.25 0.45 0.00 0.04 -1.26 -4.83 135.00 125.85 2juz s PRO 29 Ca 0.39 0.25 0.10 0.00 0.04 0.00 0.00 61.00 61.79 2juz s PRO 29 Cb -0.10 -1.74 1.00 0.00 0.04 0.00 0.00 34.50 33.70 2juz s PRO 29 CO 0.32 -2.80 2.08 -0.39 0.04 0.00 0.00 177.00 176.25 2juz h VAL 30 N -1.93 1.07 0.47 -0.36 -1.51 -1.99 -2.30 116.25 109.70 2juz h VAL 30 Ca -0.51 -0.16 -0.02 0.00 -1.23 0.00 0.00 66.70 64.78 2juz h VAL 30 Cb 1.32 0.72 0.00 0.00 -2.13 0.00 0.00 31.29 31.20 2juz h VAL 30 CO 0.53 0.07 -0.23 0.44 -1.23 0.00 0.00 177.57 177.16 2juz h ASP 31 N 0.34 -0.54 -0.87 4.19 5.19 -1.99 0.64 116.42 123.39 2juz h ASP 31 Ca 0.09 -0.06 -0.01 0.00 -0.62 0.00 0.00 57.03 56.43 2juz h ASP 31 Cb -0.02 0.14 -0.04 0.00 0.18 0.00 0.00 39.33 39.59 2juz h ASP 31 CO -0.02 -0.26 0.49 -0.07 -3.12 0.00 0.00 179.24 176.27 2juz h LEU 32 N -0.81 1.08 -1.00 1.55 3.38 -1.89 0.27 115.31 117.88 2juz h LEU 32 Ca -0.07 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 2juz h LEU 32 Cb 0.56 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 2juz h LEU 32 CO 0.11 0.85 0.42 -1.28 0.09 0.00 0.00 178.44 178.63 2juz h SER 33 N 1.22 1.01 -0.13 -0.43 0.87 -1.32 -1.70 113.55 113.08 2juz h SER 33 Ca 0.31 -0.10 -0.23 0.00 -1.23 0.00 0.00 61.79 60.55 2juz h SER 33 Cb 0.00 -0.26 0.01 0.00 -0.44 0.00 0.00 62.40 61.72 2juz h SER 33 CO -0.05 0.82 -0.81 0.25 -0.53 0.00 0.00 176.83 176.51 2juz h LEU 34 N 1.12 0.94 -0.60 2.23 5.85 0.25 -2.59 115.31 122.52 2juz h LEU 34 Ca 0.28 -0.63 -0.14 0.00 0.84 0.00 0.00 57.88 58.22 2juz h LEU 34 Cb 0.05 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.80 2juz h LEU 34 CO -0.04 1.44 -0.45 0.40 -0.34 0.00 0.00 178.44 179.44 2juz h ILE 35 N 0.53 1.31 -0.47 4.05 2.04 -0.85 0.27 117.51 124.38 2juz h ILE 35 Ca -0.06 -1.65 0.00 0.00 1.00 0.00 0.00 64.86 64.15 2juz h ILE 35 Cb 1.44 1.62 -0.02 0.00 -0.74 0.00 0.00 36.82 39.12 2juz h ILE 35 CO 0.17 0.52 0.30 0.00 0.00 0.00 0.00 178.15 179.13 2juz h ALA 36 N 1.03 0.60 -0.77 1.87 0.00 -1.32 0.20 119.26 120.86 2juz h ALA 36 Ca 0.03 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 2juz h ALA 36 Cb 0.98 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 2juz h ALA 36 CO 0.09 0.07 0.28 1.25 0.00 0.00 0.00 179.25 180.94 2juz h LEU 37 N 0.63 1.09 0.17 0.00 6.46 -1.15 -0.27 115.31 122.25 2juz h LEU 37 Ca 0.17 -0.19 -0.01 0.00 -0.12 0.00 0.00 57.88 57.74 2juz h LEU 37 Cb -0.03 -0.28 0.00 0.00 -0.73 0.00 0.00 40.66 39.61 2juz h LEU 37 CO -0.03 0.98 -0.09 1.23 -0.62 0.00 0.00 178.44 179.91 2juz h GLY 38 N 1.14 -0.25 1.04 3.75 0.00 0.20 0.40 103.07 109.35 2juz h GLY 38 Ca 0.25 0.10 -0.03 0.00 0.00 0.00 0.00 47.33 47.65 2juz h GLY 38 CO -0.02 -0.09 0.44 -0.57 0.00 0.00 0.00 176.54 176.30 2juz h ASN 39 N -0.24 1.13 -0.20 0.19 -1.24 -0.51 -0.97 115.58 113.73 2juz h ASN 39 Ca -0.02 -0.12 -0.02 0.00 0.71 0.00 0.00 56.30 56.85 2juz h ASN 39 Cb 0.19 -0.29 -0.01 0.00 0.73 0.00 0.00 38.32 38.94 2juz h ASN 39 CO 0.03 0.93 0.05 -0.03 -1.29 0.00 0.00 177.43 177.13 2juz h MET 40 N 1.24 0.32 -0.10 6.67 4.05 -0.77 0.71 114.93 127.06 2juz h MET 40 Ca 0.30 -0.07 0.02 0.00 -0.28 0.00 0.00 59.70 59.67 2juz h MET 40 Cb 0.09 -0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 30.83 2juz h MET 40 CO -0.04 0.44 -0.01 0.00 0.23 0.00 0.00 176.91 177.53 2juz h ALA 41 N 0.87 0.08 -0.15 0.39 0.00 -0.00 0.68 119.26 121.12 2juz h ALA 41 Ca 0.06 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.02 2juz h ALA 41 Cb 0.26 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 2juz h ALA 41 CO -0.00 -0.47 0.02 0.77 0.00 0.00 0.00 179.25 179.57 2juz h SER 42 N 0.02 -0.00 -0.27 0.00 0.02 -1.09 0.97 113.55 113.19 2juz h SER 42 Ca 0.05 0.03 0.06 0.00 -0.84 0.00 0.00 61.79 61.08 2juz h SER 42 Cb 0.06 0.04 -0.05 0.00 0.14 0.00 0.00 62.40 62.58 2juz h SER 42 CO -0.08 0.02 -0.08 -1.13 -1.14 0.00 0.00 176.83 174.42 2juz h ASN 43 N 0.09 -0.29 -0.48 3.07 -1.24 -0.52 -1.17 115.58 115.04 2juz h ASN 43 Ca 0.07 0.09 -0.11 0.00 0.71 0.00 0.00 56.30 57.05 2juz h ASN 43 Cb 0.07 0.18 -0.01 0.00 0.73 0.00 0.00 38.32 39.28 2juz h ASN 43 CO -0.10 -0.10 -0.13 -0.07 -1.29 0.00 0.00 177.43 175.74 2juz h LEU 44 N -0.02 0.94 -0.05 0.34 3.38 -0.56 -2.61 115.31 116.74 2juz h LEU 44 Ca 0.13 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.73 2juz h LEU 44 Cb 0.22 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.71 2juz h LEU 44 CO -0.29 1.10 0.00 0.18 0.09 0.00 0.00 178.44 179.52 2juz n LEU 45 N -4.21 0.09 -0.49 1.67 4.77 0.31 -0.24 117.00 118.90 2juz n LEU 45 Ca 0.00 0.52 0.08 0.00 -0.03 0.00 0.00 56.01 56.58 2juz n LEU 45 Cb 0.40 -0.49 0.03 0.00 -2.33 0.00 0.00 43.42 41.03 2juz n LEU 45 CO 0.45 -0.16 0.36 0.35 -1.33 0.00 0.00 177.39 177.06 2juz n THR 46 N -1.59 0.00 0.00 -5.08 -2.24 -0.47 -4.66 114.28 100.24 2juz n THR 46 Ca 0.05 -0.40 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 2juz n THR 46 Cb 0.26 1.25 0.00 0.00 -2.10 0.00 0.00 70.33 69.74 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 0.30 0.00 -1.40 4.28 -2.24 -1.00 -4.91 114.28 109.31 2juz n THR 47 Ca 0.08 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.82 2juz n THR 47 Cb 0.37 -0.34 0.20 0.00 -2.10 0.00 0.00 70.33 68.47 2juz n THR 47 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2juz n SER 48 N -2.07 2.64 -4.49 3.42 3.41 0.67 -4.96 113.62 112.25 2juz n SER 48 Ca 0.00 -3.69 -0.27 0.00 -0.26 0.00 0.00 58.87 54.64 2juz n SER 48 Cb 0.21 -0.63 -0.11 0.00 -0.26 0.00 0.00 64.21 63.42 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 -3.21 2.73 -0.30 -3.33 -7.23 -1.24 -4.96 120.40 102.86 2juz s VAL 49 Ca 0.45 -1.84 -0.35 0.00 -1.81 0.00 0.00 61.98 58.43 2juz s VAL 49 Cb 0.40 -2.32 -0.11 0.00 0.56 0.00 0.00 36.38 34.91 2juz s VAL 49 CO 0.01 -0.09 2.12 -2.65 -0.31 0.00 0.00 175.10 174.18 2juz n PRO 50 N 0.23 1.31 0.27 4.82 -0.02 -1.26 -4.83 135.00 135.52 2juz n PRO 50 Ca -0.12 0.39 0.10 0.00 -2.02 0.00 0.00 63.50 61.85 2juz n PRO 50 Cb 0.55 -2.54 0.72 0.00 -0.02 0.00 0.00 33.50 32.22 2juz n PRO 50 CO 0.00 0.00 0.00 -0.56 1.98 0.00 0.00 175.50 176.92 2juz h GLN 51 N 11.89 0.00 0.08 -0.52 -0.00 -1.97 0.20 115.11 124.79 2juz h GLN 51 Ca -0.33 0.00 -0.28 0.00 -0.00 0.00 0.00 58.65 58.05 2juz h GLN 51 Cb 1.31 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 28.77 2juz h GLN 51 CO 1.00 0.01 -1.39 1.79 -0.00 0.00 0.00 178.83 180.24 2juz h THR 52 N 0.00 1.29 -0.52 1.86 1.35 -2.06 -3.31 112.91 111.53 2juz h THR 52 Ca -0.00 -2.97 0.00 0.00 -0.55 0.00 0.00 66.41 62.89 2juz h THR 52 Cb 0.02 2.76 0.00 0.00 -1.73 0.00 0.00 68.15 69.20 2juz h THR 52 CO 0.00 0.82 0.00 1.67 -0.25 0.00 0.00 175.52 177.76 2juz n GLN 53 N -3.39 3.69 -0.22 4.72 7.27 -0.77 -4.53 117.38 124.15 2juz n GLN 53 Ca -0.12 -2.84 -0.02 0.00 0.07 0.00 0.00 57.00 54.10 2juz n GLN 53 Cb 1.02 -1.88 0.09 0.00 2.41 0.00 0.00 30.24 31.88 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 0.62 0.32 -0.31 0.00 4.57 -1.86 0.14 114.58 118.05 2juz h GLU 55 Ca 0.28 -0.02 -0.08 0.00 -1.18 0.00 0.00 59.36 58.37 2juz h GLU 55 Cb 0.19 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.70 2juz h GLU 55 CO -0.19 0.21 -0.10 0.00 -1.18 0.00 0.00 179.01 177.76 2juz h ALA 56 N 1.36 0.43 -0.24 2.92 0.00 -1.73 -2.77 119.26 119.24 2juz h ALA 56 Ca 0.26 -0.30 -0.16 0.00 0.00 0.00 0.00 54.91 54.70 2juz h ALA 56 Cb 0.30 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2juz h ALA 56 CO -0.28 0.28 -0.51 -0.07 0.00 0.00 0.00 179.25 178.68 2juz h LEU 57 N 0.39 0.75 -0.10 0.00 4.07 -0.90 0.37 115.31 119.89 2juz h LEU 57 Ca 0.08 -0.38 0.01 0.00 0.08 0.00 0.00 57.88 57.66 2juz h LEU 57 Cb 0.60 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 42.12 2juz h LEU 57 CO 0.04 1.12 0.04 0.00 -1.08 0.00 0.00 178.44 178.56 2juz h ALA 58 N 0.90 0.11 -0.04 1.53 0.00 -0.73 0.67 119.26 121.69 2juz h ALA 58 Ca 0.02 0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 2juz h ALA 58 Cb 1.07 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 2juz h ALA 58 CO 0.10 -0.42 -0.56 1.96 0.00 0.00 0.00 179.25 180.33 2juz h GLN 59 N 0.09 0.14 -0.01 0.00 4.20 -1.45 -2.67 115.11 115.40 2juz h GLN 59 Ca 0.04 -0.09 -0.00 0.00 0.06 0.00 0.00 58.65 58.66 2juz h GLN 59 Cb 0.02 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 27.80 2juz h GLN 59 CO -0.04 0.66 0.00 0.00 -0.67 0.00 0.00 178.83 178.79 2juz h ALA 60 N 1.32 0.02 -0.29 3.87 0.00 -0.47 -0.99 119.26 122.72 2juz h ALA 60 Ca -0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 2juz h ALA 60 Cb 1.02 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 2juz h ALA 60 CO 0.08 -0.37 0.12 0.35 0.00 0.00 0.00 179.25 179.43 2juz h PHE 61 N -0.20 0.44 0.20 0.00 3.04 -0.87 -0.03 116.94 119.51 2juz h PHE 61 Ca 0.00 -0.03 -0.01 0.00 3.98 0.00 0.00 57.97 61.91 2juz h PHE 61 Cb 0.23 -0.13 0.00 0.00 2.56 0.00 0.00 35.95 38.61 2juz h PHE 61 CO 0.00 0.42 -0.10 0.66 -2.02 0.00 0.00 178.31 177.28 2juz h SER 62 N 0.32 -0.23 0.42 0.41 4.64 -1.48 -2.28 113.55 115.36 2juz h SER 62 Ca 0.10 -0.17 -0.04 0.00 -0.47 0.00 0.00 61.79 61.21 2juz h SER 62 Cb 0.17 0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.31 2juz h SER 62 CO -0.01 0.05 -0.19 0.78 -0.87 0.00 0.00 176.83 176.59 2juz h ASN 63 N -0.52 0.00 -0.70 4.97 2.35 -1.19 -1.71 115.58 118.78 2juz h ASN 63 Ca -0.03 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.65 2juz h ASN 63 Cb 0.39 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.73 2juz h ASN 63 CO 0.05 0.19 0.16 -1.28 -1.65 0.00 0.00 177.43 174.90 2juz h SER 64 N 0.00 1.07 -0.59 5.81 0.87 -0.75 -1.99 113.55 117.97 2juz h SER 64 Ca -0.00 -0.24 -0.04 0.00 -1.23 0.00 0.00 61.79 60.29 2juz h SER 64 Cb 0.45 -0.28 -0.03 0.00 -0.44 0.00 0.00 62.40 62.11 2juz h SER 64 CO 0.02 1.03 0.23 -0.07 -0.53 0.00 0.00 176.83 177.51 2juz h LEU 65 N 1.06 0.82 -0.27 2.23 3.38 -0.74 0.11 115.31 121.90 2juz h LEU 65 Ca 0.22 -0.17 0.03 0.00 0.09 0.00 0.00 57.88 58.05 2juz h LEU 65 Cb 0.38 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 2juz h LEU 65 CO 0.00 0.77 0.07 0.40 0.09 0.00 0.00 178.44 179.78 2juz h ILE 66 N 0.82 0.90 -0.45 1.22 1.08 -1.19 -0.68 117.51 119.22 2juz h ILE 66 Ca 0.20 -0.06 -0.14 0.00 -0.39 0.00 0.00 64.86 64.47 2juz h ILE 66 Cb 0.21 0.70 -0.01 0.00 -3.07 0.00 0.00 36.82 34.65 2juz h ILE 66 CO -0.01 0.03 -0.25 0.78 -0.69 0.00 0.00 178.15 178.01 2juz h ASN 67 N 0.19 1.00 -0.18 1.72 2.35 -1.18 -1.93 115.58 117.55 2juz h ASN 67 Ca 0.12 -0.41 0.01 0.00 -0.55 0.00 0.00 56.30 55.47 2juz h ASN 67 Cb 0.10 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.18 2juz h ASN 67 CO -0.14 1.19 0.07 0.00 -1.65 0.00 0.00 177.43 176.90 2juz h ALA 68 N 0.84 0.20 -0.11 -0.83 0.00 -0.38 0.16 119.26 119.13 2juz h ALA 68 Ca 0.10 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 2juz h ALA 68 Cb 0.83 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 2juz h ALA 68 CO 0.07 -0.36 0.07 0.28 0.00 0.00 0.00 179.25 179.31 2juz h VAL 69 N 0.16 1.07 0.04 0.00 2.07 -1.11 -1.27 116.25 117.20 2juz h VAL 69 Ca 0.07 -0.18 0.02 0.00 0.82 0.00 0.00 66.70 67.44 2juz h VAL 69 Cb 0.04 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 2juz h VAL 69 CO -0.07 0.06 -0.20 0.50 0.02 0.00 0.00 177.57 177.88 2juz h LYS 70 N 0.11 -0.33 0.00 1.57 3.64 -1.01 0.55 116.57 121.10 2juz h LYS 70 Ca 0.04 0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.37 2juz h LYS 70 Cb 0.04 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 2juz h LYS 70 CO -0.01 -0.22 -0.33 1.15 -2.27 0.00 0.00 179.45 177.77 2juz h THR 71 N -0.34 0.87 0.07 1.00 2.02 -0.64 0.96 112.91 116.84 2juz h THR 71 Ca 0.05 -1.34 -0.00 0.00 0.77 0.00 0.00 66.41 65.88 2juz h THR 71 Cb 0.40 1.82 0.00 0.00 -1.74 0.00 0.00 68.15 68.62 2juz h THR 71 CO -0.16 0.33 -0.03 -0.09 0.37 0.00 0.00 175.52 175.93 2juz h ARG 72 N 0.00 -0.09 0.00 6.66 1.12 -0.88 -3.27 114.38 117.91 2juz h ARG 72 Ca -0.00 0.01 -0.03 0.00 -1.11 0.00 0.00 59.98 58.84 2juz h ARG 72 Cb 0.79 0.02 -0.00 0.00 -0.01 0.00 0.00 29.97 30.77 2juz h ARG 72 CO 0.04 0.47 -0.16 1.25 -3.11 0.00 0.00 179.97 178.47 2juz h LEU 73 N -0.80 0.00 -9.29 3.80 5.85 -0.73 -3.42 115.31 110.72 2juz h LEU 73 Ca -0.01 0.00 -0.61 0.00 0.84 0.00 0.00 57.88 58.10 2juz h LEU 73 Cb 0.61 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.66 2juz h LEU 73 CO 0.02 0.16 1.10 1.21 -0.34 0.00 0.00 178.44 180.59 2juz n GLU 74 N -4.13 2.25 -1.91 1.25 2.13 0.32 -4.86 120.64 115.69 2juz n GLU 74 Ca -0.02 0.83 -0.41 0.00 0.66 0.00 0.00 57.16 58.22 2juz n GLU 74 Cb 0.23 -2.68 -0.01 0.00 0.27 0.00 0.00 31.44 29.25 2juz n GLU 74 CO 0.00 0.00 0.00 1.58 -0.41 0.00 0.00 177.13 178.30 2juz n HIS 75 N 6.61 2.72 -1.88 4.31 -0.00 -1.26 -4.97 115.22 120.75 2juz n HIS 75 Ca 0.22 -2.88 -0.42 0.00 -0.00 0.00 0.00 57.72 54.64 2juz n HIS 75 Cb 0.31 -2.06 -0.02 0.00 -0.00 0.00 0.00 29.99 28.21 2juz n HIS 75 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2juz s HIS 76 N 0.28 2.93 0.79 1.57 2.46 -1.26 -5.01 115.29 117.06 2juz s HIS 76 Ca 0.53 0.76 -0.10 0.00 0.47 0.00 0.00 55.06 56.72 2juz s HIS 76 Cb 0.16 -3.97 0.09 0.00 -0.13 0.00 0.00 32.58 28.74 2juz s HIS 76 CO -0.06 -3.37 1.13 -1.01 -2.47 0.00 0.00 174.74 168.96 2juz s HIS 77 N 0.45 2.64 -0.18 3.88 3.76 -1.26 -5.02 115.29 119.56 2juz s HIS 77 Ca 0.65 0.50 0.15 0.00 -0.15 0.00 0.00 55.06 56.21 2juz s HIS 77 Cb -0.45 -3.45 0.44 0.00 1.11 0.00 0.00 32.58 30.22 2juz s HIS 77 CO 0.40 -1.77 1.19 0.72 -0.85 0.00 0.00 174.74 174.43 2juz n HIS 78 N -3.21 0.57 -0.66 1.40 -0.00 -1.26 -5.08 115.22 106.99 2juz n HIS 78 Ca 0.10 -1.43 0.00 0.00 -0.00 0.00 0.00 57.72 56.38 2juz n HIS 78 Cb 0.60 -0.24 0.00 0.00 -0.00 0.00 0.00 29.99 30.36 2juz n HIS 78 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2juz n HIS 79 N -0.61 -1.80 -0.72 4.41 8.25 -1.26 -5.39 115.22 118.10 2juz n HIS 79 Ca 0.19 0.97 0.00 0.00 -0.26 0.00 0.00 57.72 58.62 2juz n HIS 79 Cb 0.86 -1.84 0.00 0.00 1.12 0.00 0.00 29.99 30.13 2juz n HIS 79 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56