#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 2.50 0.73 3.04 0.00 -1.26 -5.15 121.76 121.62 2juz s ALA 2 Ca 0.00 -1.91 -0.08 0.00 0.00 0.00 0.00 51.96 49.96 2juz s ALA 2 Cb 0.00 0.04 0.06 0.00 0.00 0.00 0.00 23.12 23.23 2juz s ALA 2 CO 0.00 0.03 1.07 1.14 0.00 0.00 0.00 175.76 177.99 2juz s GLN 3 N -3.66 2.18 -0.16 0.00 0.00 -1.26 -5.00 119.66 111.76 2juz s GLN 3 Ca 0.29 -0.10 -0.29 0.00 -0.00 0.00 0.00 55.36 55.26 2juz s GLN 3 Cb 0.02 -2.10 -0.02 0.00 0.00 0.00 0.00 33.01 30.91 2juz s GLN 3 CO 0.13 -1.32 1.39 -1.01 0.00 0.00 0.00 175.29 174.48 2juz s HIS 4 N -3.35 2.55 0.44 9.60 3.76 -1.26 -4.98 115.29 122.05 2juz s HIS 4 Ca 0.60 0.75 -0.24 0.00 -0.15 0.00 0.00 55.06 56.03 2juz s HIS 4 Cb -0.11 -3.69 -0.08 0.00 1.11 0.00 0.00 32.58 29.81 2juz s HIS 4 CO 0.46 -2.34 1.19 -1.12 -0.85 0.00 0.00 174.74 172.09 2juz s SER 5 N 2.61 6.22 -0.01 1.40 0.01 -1.26 -4.89 113.70 117.78 2juz s SER 5 Ca 0.61 2.39 0.00 0.00 1.31 0.00 0.00 55.95 60.26 2juz s SER 5 Cb -0.24 -2.61 0.01 0.00 0.21 0.00 0.00 66.02 63.39 2juz s SER 5 CO 0.20 -0.89 1.02 2.29 0.41 0.00 0.00 173.24 176.28 2juz n LYS 6 N -0.30 1.02 -3.54 12.44 2.85 -1.26 -4.70 118.16 124.67 2juz n LYS 6 Ca 0.06 -0.05 -0.19 0.00 -1.05 0.00 0.00 58.31 57.08 2juz n LYS 6 Cb 0.47 -1.02 0.07 0.00 -0.65 0.00 0.00 35.03 33.90 2juz n LYS 6 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2juz n TYR 7 N 0.48 -2.19 -1.81 5.58 4.02 -1.26 -4.90 117.16 117.08 2juz n TYR 7 Ca 0.01 0.92 -0.42 0.00 -0.01 0.00 0.00 57.90 58.40 2juz n TYR 7 Cb 0.52 -4.85 -0.03 0.00 -0.02 0.00 0.00 39.34 34.96 2juz n TYR 7 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 2juz s SER 8 N -4.21 6.50 0.59 7.72 0.01 -1.26 -4.84 113.70 118.21 2juz s SER 8 Ca 0.09 2.66 0.39 0.00 1.31 0.00 0.00 55.95 60.40 2juz s SER 8 Cb -0.04 -2.57 2.11 0.00 0.21 0.00 0.00 66.02 65.73 2juz s SER 8 CO 0.76 -0.95 2.21 -2.24 0.41 0.00 0.00 173.24 173.43 2juz h ASP 9 N 8.25 0.00 0.35 2.44 2.03 -1.99 0.10 116.42 127.61 2juz h ASP 9 Ca -0.44 0.00 -0.32 0.00 -0.73 0.00 0.00 57.03 55.53 2juz h ASP 9 Cb 1.21 0.00 0.03 0.00 -0.83 0.00 0.00 39.33 39.74 2juz h ASP 9 CO 0.94 0.00 -1.45 0.00 -1.03 0.00 0.00 179.24 177.70 2juz h ALA 10 N 2.00 -0.07 -0.18 4.15 0.00 -1.99 -2.53 119.26 120.64 2juz h ALA 10 Ca 0.00 -0.89 -0.07 0.00 0.00 0.00 0.00 54.91 53.95 2juz h ALA 10 Cb 0.04 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 2juz h ALA 10 CO 0.00 0.79 -0.17 0.37 0.00 0.00 0.00 179.25 180.24 2juz h GLN 11 N 0.13 0.43 0.65 0.00 5.75 -1.53 -2.46 115.11 118.07 2juz h GLN 11 Ca -0.23 -0.22 -0.03 0.00 -0.15 0.00 0.00 58.65 58.01 2juz h GLN 11 Cb 2.12 0.01 0.01 0.00 1.07 0.00 0.00 27.48 30.68 2juz h GLN 11 CO 0.25 0.79 -0.31 1.25 -2.65 0.00 0.00 178.83 178.16 2juz h LEU 12 N 0.09 -0.74 -1.37 -2.39 5.85 -0.97 -2.48 115.31 113.30 2juz h LEU 12 Ca 0.03 0.02 0.11 0.00 0.84 0.00 0.00 57.88 58.88 2juz h LEU 12 Cb 0.71 0.19 -0.06 0.00 0.37 0.00 0.00 40.66 41.87 2juz h LEU 12 CO 0.04 -0.51 0.52 0.28 -0.34 0.00 0.00 178.44 178.44 2juz h SER 13 N -0.90 0.62 -0.70 1.25 0.02 -1.52 0.72 113.55 113.05 2juz h SER 13 Ca -0.09 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.87 2juz h SER 13 Cb 0.68 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 63.08 2juz h SER 13 CO 0.15 0.36 0.41 0.00 -1.14 0.00 0.00 176.83 176.60 2juz h ALA 14 N 1.61 0.89 -0.09 3.77 0.00 -1.24 0.38 119.26 124.57 2juz h ALA 14 Ca 0.38 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 55.07 2juz h ALA 14 Cb 0.54 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 18.06 2juz h ALA 14 CO -0.15 0.39 -0.42 0.82 0.00 0.00 0.00 179.25 179.88 2juz h ILE 15 N 0.96 1.39 -0.52 0.00 2.04 -0.51 -1.86 117.51 119.01 2juz h ILE 15 Ca 0.25 -1.78 -0.05 0.00 1.00 0.00 0.00 64.86 64.28 2juz h ILE 15 Cb -0.00 2.25 -0.02 0.00 -0.74 0.00 0.00 36.82 38.30 2juz h ILE 15 CO -0.04 0.53 0.12 0.58 0.00 0.00 0.00 178.15 179.33 2juz h VAL 16 N 0.01 1.24 0.00 1.67 2.07 -0.87 -1.87 116.25 118.50 2juz h VAL 16 Ca -0.03 -0.87 -0.09 0.00 0.82 0.00 0.00 66.70 66.54 2juz h VAL 16 Cb 1.07 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 2juz h VAL 16 CO 0.09 0.32 -0.41 -1.13 0.02 0.00 0.00 177.57 176.45 2juz h ASN 17 N 0.72 0.00 -0.13 0.57 -1.24 -0.98 -2.30 115.58 112.23 2juz h ASN 17 Ca 0.16 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 57.15 2juz h ASN 17 Cb 0.34 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.39 2juz h ASN 17 CO 0.00 0.41 -0.00 -0.78 -1.29 0.00 0.00 177.43 175.77 2juz h ASP 18 N 0.00 0.22 -0.44 1.15 1.82 -0.94 -2.49 116.42 115.74 2juz h ASP 18 Ca -0.00 -0.32 0.04 0.00 -0.39 0.00 0.00 57.03 56.36 2juz h ASP 18 Cb 0.85 -0.06 -0.02 0.00 0.68 0.00 0.00 39.33 40.77 2juz h ASP 18 CO 0.05 0.48 0.29 0.24 -1.61 0.00 0.00 179.24 178.70 2juz h MET 19 N -0.05 0.42 -0.51 0.28 2.86 -1.06 0.41 114.93 117.28 2juz h MET 19 Ca 0.04 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.64 2juz h MET 19 Cb 0.37 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.91 2juz h MET 19 CO 0.01 0.28 0.30 0.82 1.06 0.00 0.00 176.91 179.37 2juz h ILE 20 N 0.43 1.16 -0.12 -1.22 2.04 -1.16 0.13 117.51 118.77 2juz h ILE 20 Ca 0.18 -0.39 -0.12 0.00 1.00 0.00 0.00 64.86 65.53 2juz h ILE 20 Cb 0.19 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 2juz h ILE 20 CO -0.04 0.17 -0.46 0.00 0.00 0.00 0.00 178.15 177.81 2juz h ALA 21 N 1.13 0.99 -0.87 1.87 0.00 -0.51 -2.45 119.26 119.43 2juz h ALA 21 Ca 0.18 -0.45 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 2juz h ALA 21 Cb 0.02 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 2juz h ALA 21 CO -0.03 0.64 0.46 0.28 0.00 0.00 0.00 179.25 180.59 2juz h VAL 22 N 0.24 1.26 -0.88 0.00 2.07 0.24 0.74 116.25 119.91 2juz h VAL 22 Ca 0.01 -0.66 0.01 0.00 0.82 0.00 0.00 66.70 66.88 2juz h VAL 22 Cb 0.91 0.10 -0.04 0.00 -1.52 0.00 0.00 31.29 30.74 2juz h VAL 22 CO 0.07 0.30 0.58 0.25 0.02 0.00 0.00 177.57 178.79 2juz h LEU 23 N 1.22 1.02 -0.76 2.57 5.85 -0.37 -0.99 115.31 123.85 2juz h LEU 23 Ca 0.30 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 59.00 2juz h LEU 23 Cb 0.06 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 40.83 2juz h LEU 23 CO -0.05 0.74 0.00 -0.33 -0.34 0.00 0.00 178.44 178.46 2juz h GLU 24 N 1.20 0.00 0.00 1.25 5.08 -0.93 0.56 114.58 121.74 2juz h GLU 24 Ca 0.32 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 2juz h GLU 24 Cb -0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.11 2juz h GLU 24 CO -0.07 0.00 0.00 1.17 -1.00 0.00 0.00 179.01 179.11 2juz n LYS 25 N -2.70 0.20 0.00 2.33 4.81 0.19 -3.63 118.16 119.35 2juz n LYS 25 Ca 0.02 0.26 0.00 0.00 -0.87 0.00 0.00 58.31 57.73 2juz n LYS 25 Cb 0.34 -1.78 0.00 0.00 0.02 0.00 0.00 35.03 33.61 2juz n LYS 25 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 2juz n HIS 26 N -2.13 0.00 -2.81 5.64 8.25 -1.04 -5.08 115.22 118.05 2juz n HIS 26 Ca 0.04 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.47 2juz n HIS 26 Cb 0.34 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.45 2juz n HIS 26 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2juz n LYS 27 N -1.82 -1.67 -3.91 -0.41 4.01 0.19 -5.03 118.16 109.52 2juz n LYS 27 Ca 0.00 1.69 -0.37 0.00 -0.51 0.00 0.00 58.31 59.12 2juz n LYS 27 Cb 0.43 -5.31 -0.06 0.00 -0.51 0.00 0.00 35.03 29.58 2juz n LYS 27 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2juz s ALA 28 N -2.73 3.82 0.00 7.82 0.00 -1.25 -4.99 121.76 124.43 2juz s ALA 28 Ca 0.11 -0.66 0.00 0.00 0.00 0.00 0.00 51.96 51.42 2juz s ALA 28 Cb -0.03 -1.95 0.00 0.00 0.00 0.00 0.00 23.12 21.14 2juz s ALA 28 CO 0.68 0.58 1.37 -0.35 0.00 0.00 0.00 175.76 178.05 2juz n PRO 29 N 2.11 0.71 0.00 0.00 -0.04 -1.26 -4.74 135.00 131.79 2juz n PRO 29 Ca -0.20 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.26 2juz n PRO 29 Cb 0.55 -1.14 0.00 0.00 -0.04 0.00 0.00 33.50 32.86 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 1.56 0.00 0.04 0.52 0.31 -1.26 -4.49 118.33 115.01 2juz n VAL 30 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.20 2juz n VAL 30 Cb 0.36 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 33.20 2juz n VAL 30 CO 0.00 0.00 0.00 -2.24 -1.32 0.00 0.00 176.83 173.27 2juz h ASP 31 N 0.00 -0.05 0.03 4.52 2.03 -1.99 -0.09 116.42 120.87 2juz h ASP 31 Ca 0.00 -0.22 -0.05 0.00 -0.73 0.00 0.00 57.03 56.03 2juz h ASP 31 Cb 0.00 0.01 -0.01 0.00 -0.83 0.00 0.00 39.33 38.50 2juz h ASP 31 CO 0.00 0.19 -0.13 0.25 -1.03 0.00 0.00 179.24 178.53 2juz h LEU 32 N -0.30 0.20 -0.56 0.15 5.85 -1.91 -2.21 115.31 116.53 2juz h LEU 32 Ca -0.01 -0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.62 2juz h LEU 32 Cb 0.27 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 2juz h LEU 32 CO 0.01 0.35 0.15 0.28 -0.34 0.00 0.00 178.44 178.89 2juz h SER 33 N 0.20 0.84 1.03 1.25 0.02 -1.74 -2.55 113.55 112.60 2juz h SER 33 Ca 0.04 -0.23 -0.05 0.00 -0.84 0.00 0.00 61.79 60.71 2juz h SER 33 Cb 0.36 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 2juz h SER 33 CO 0.02 0.84 -0.25 -0.07 -1.14 0.00 0.00 176.83 176.24 2juz h LEU 34 N 0.79 0.00 -0.22 5.07 3.38 -0.55 -2.18 115.31 121.60 2juz h LEU 34 Ca 0.18 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.08 2juz h LEU 34 Cb 0.33 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 2juz h LEU 34 CO -0.00 0.25 -0.12 0.40 0.09 0.00 0.00 178.44 179.06 2juz h ILE 35 N 0.00 1.31 -0.26 1.22 2.04 -1.09 0.32 117.51 121.05 2juz h ILE 35 Ca -0.00 -1.21 0.01 0.00 1.00 0.00 0.00 64.86 64.66 2juz h ILE 35 Cb 0.83 1.64 -0.02 0.00 -0.74 0.00 0.00 36.82 38.53 2juz h ILE 35 CO 0.03 0.37 0.15 0.00 0.00 0.00 0.00 178.15 178.70 2juz h ALA 36 N 0.70 0.33 0.00 1.87 0.00 -1.26 -1.09 119.26 119.81 2juz h ALA 36 Ca 0.05 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2juz h ALA 36 Cb 0.63 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 2juz h ALA 36 CO 0.03 -0.23 -0.08 -0.07 0.00 0.00 0.00 179.25 178.91 2juz h LEU 37 N 0.32 0.00 -0.07 0.00 3.38 -1.39 -2.53 115.31 115.01 2juz h LEU 37 Ca 0.10 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 2juz h LEU 37 Cb -0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2juz h LEU 37 CO -0.05 0.08 -0.14 1.23 0.09 0.00 0.00 178.44 179.65 2juz h GLY 38 N 2.28 0.24 1.54 0.83 0.00 0.59 0.37 103.07 108.92 2juz h GLY 38 Ca -0.00 -0.28 -0.02 0.00 0.00 0.00 0.00 47.33 47.03 2juz h GLY 38 CO 0.01 0.25 0.20 3.43 0.00 0.00 0.00 176.54 180.43 2juz h ASN 39 N -0.27 0.54 -0.07 0.19 4.21 -1.17 -1.26 115.58 117.76 2juz h ASN 39 Ca 0.00 -0.05 -0.02 0.00 1.21 0.00 0.00 56.30 57.44 2juz h ASN 39 Cb 0.72 -0.14 -0.00 0.00 -1.12 0.00 0.00 38.32 37.78 2juz h ASN 39 CO 0.03 0.47 -0.06 -0.03 -1.29 0.00 0.00 177.43 176.56 2juz h MET 40 N 0.60 0.15 0.09 0.81 4.05 -1.34 -2.29 114.93 117.01 2juz h MET 40 Ca 0.15 -0.08 0.01 0.00 -0.28 0.00 0.00 59.70 59.51 2juz h MET 40 Cb 0.08 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 30.86 2juz h MET 40 CO -0.02 0.58 -0.17 0.00 0.23 0.00 0.00 176.91 177.53 2juz h ALA 41 N 0.57 -0.29 -0.80 0.39 0.00 0.06 -1.11 119.26 118.08 2juz h ALA 41 Ca 0.01 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2juz h ALA 41 Cb 0.55 0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.58 2juz h ALA 41 CO 0.01 -0.70 0.40 0.66 0.00 0.00 0.00 179.25 179.62 2juz h SER 42 N -0.34 1.03 -0.15 0.00 4.64 -1.32 0.23 113.55 117.64 2juz h SER 42 Ca 0.03 -0.13 0.02 0.00 -0.47 0.00 0.00 61.79 61.24 2juz h SER 42 Cb 0.36 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 62.16 2juz h SER 42 CO -0.10 0.87 0.02 -1.13 -0.87 0.00 0.00 176.83 175.61 2juz h ASN 43 N 1.12 -0.02 -0.34 4.97 -0.73 -1.08 -1.59 115.58 117.91 2juz h ASN 43 Ca 0.27 0.03 -0.12 0.00 1.87 0.00 0.00 56.30 58.36 2juz h ASN 43 Cb 0.10 0.04 -0.01 0.00 0.27 0.00 0.00 38.32 38.72 2juz h ASN 43 CO -0.04 0.01 -0.24 -0.07 -0.37 0.00 0.00 177.43 176.73 2juz h LEU 44 N 0.07 0.80 -2.01 0.34 3.38 -0.90 -2.49 115.31 114.51 2juz h LEU 44 Ca 0.07 -0.44 -0.01 0.00 0.09 0.00 0.00 57.88 57.60 2juz h LEU 44 Cb 0.07 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 2juz h LEU 44 CO -0.10 1.06 -0.03 -0.07 0.09 0.00 0.00 178.44 179.39 2juz h LEU 45 N 0.54 0.00 -1.04 1.67 3.38 -0.79 0.26 115.31 119.32 2juz h LEU 45 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2juz h LEU 45 Cb 0.80 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.55 2juz h LEU 45 CO 0.06 0.03 -0.44 0.35 0.09 0.00 0.00 178.44 178.54 2juz n THR 46 N -3.20 0.00 -0.02 0.22 -2.24 -0.61 -4.33 114.28 104.10 2juz n THR 46 Ca -0.01 -0.28 -0.02 0.00 -2.27 0.00 0.00 64.05 61.47 2juz n THR 46 Cb 0.23 1.27 -0.01 0.00 -2.10 0.00 0.00 70.33 69.71 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 0.04 0.18 -0.05 4.28 -1.04 -0.74 -4.86 114.28 112.09 2juz n THR 47 Ca 0.09 -0.06 -0.03 0.00 -2.04 0.00 0.00 64.05 62.01 2juz n THR 47 Cb 0.46 -0.76 -0.01 0.00 -1.82 0.00 0.00 70.33 68.20 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 -0.02 0.00 -4.27 8.00 0.02 -0.76 -3.48 113.55 113.04 2juz h SER 48 Ca -0.07 0.00 -0.49 0.00 -0.84 0.00 0.00 61.79 60.39 2juz h SER 48 Cb 1.10 0.00 0.12 0.00 0.14 0.00 0.00 62.40 63.76 2juz h SER 48 CO -0.02 0.53 0.33 0.68 -1.14 0.00 0.00 176.83 177.21 2juz s VAL 49 N -1.86 3.12 -0.13 2.27 -7.23 -1.24 -4.91 120.40 110.42 2juz s VAL 49 Ca -0.10 0.36 -0.31 0.00 -1.81 0.00 0.00 61.98 60.12 2juz s VAL 49 Cb 0.01 -3.06 -0.09 0.00 0.56 0.00 0.00 36.38 33.80 2juz s VAL 49 CO 0.15 -0.48 2.06 -0.81 -0.31 0.00 0.00 175.10 175.71 2juz n PRO 50 N -3.47 2.18 -0.24 4.82 -0.04 -1.26 -4.77 135.00 132.23 2juz n PRO 50 Ca 0.07 0.73 0.04 0.00 -0.04 0.00 0.00 63.50 64.30 2juz n PRO 50 Cb 0.56 -2.92 0.28 0.00 -0.04 0.00 0.00 33.50 31.38 2juz n PRO 50 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 2juz h GLN 51 N 11.92 0.90 0.00 0.54 7.50 -1.89 -0.23 115.11 133.85 2juz h GLN 51 Ca -0.44 -0.05 0.00 0.00 0.50 0.00 0.00 58.65 58.66 2juz h GLN 51 Cb 1.26 -0.20 0.00 0.00 0.05 0.00 0.00 27.48 28.59 2juz h GLN 51 CO 0.96 0.59 0.00 -2.37 -1.50 0.00 0.00 178.83 176.51 2juz n THR 52 N -4.47 0.55 -0.20 -0.54 5.66 -1.26 -2.41 114.28 111.60 2juz n THR 52 Ca 0.11 0.14 0.00 0.00 -3.05 0.00 0.00 64.05 61.25 2juz n THR 52 Cb 0.17 -0.80 0.00 0.00 -1.55 0.00 0.00 70.33 68.14 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 -1.41 2.29 0.22 1.09 1.13 -0.23 -4.85 117.38 115.62 2juz n GLN 53 Ca 0.07 -1.27 -0.15 0.00 -1.94 0.00 0.00 57.00 53.71 2juz n GLN 53 Cb 0.20 -0.90 -0.08 0.00 0.11 0.00 0.00 30.24 29.57 2juz n GLN 53 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2juz h GLU 55 N -0.74 0.61 0.08 0.00 3.07 -1.89 0.26 114.58 115.97 2juz h GLU 55 Ca -0.06 -0.10 -0.00 0.00 -0.50 0.00 0.00 59.36 58.70 2juz h GLU 55 Cb 0.52 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.32 2juz h GLU 55 CO 0.09 0.55 -0.04 0.00 -1.40 0.00 0.00 179.01 178.21 2juz h ALA 56 N 1.53 -0.10 -0.18 3.43 0.00 -1.84 -1.35 119.26 120.74 2juz h ALA 56 Ca 0.14 -0.16 -0.20 0.00 0.00 0.00 0.00 54.91 54.70 2juz h ALA 56 Cb 0.21 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2juz h ALA 56 CO -0.01 -0.41 -0.68 -0.07 0.00 0.00 0.00 179.25 178.09 2juz h LEU 57 N -0.40 0.82 -0.45 0.00 4.07 -0.64 -1.30 115.31 117.42 2juz h LEU 57 Ca -0.01 -0.50 -0.01 0.00 0.08 0.00 0.00 57.88 57.44 2juz h LEU 57 Cb 0.35 -0.24 -0.02 0.00 1.08 0.00 0.00 40.66 41.82 2juz h LEU 57 CO 0.02 1.28 0.23 0.00 -1.08 0.00 0.00 178.44 178.89 2juz h ALA 58 N 0.72 0.57 -0.56 1.53 0.00 -0.55 0.28 119.26 121.26 2juz h ALA 58 Ca -0.02 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 2juz h ALA 58 Cb 1.28 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 2juz h ALA 58 CO 0.14 0.11 0.25 0.37 0.00 0.00 0.00 179.25 180.12 2juz h GLN 59 N 0.58 0.82 -0.18 0.00 4.15 -1.21 0.43 115.11 119.71 2juz h GLN 59 Ca 0.16 -0.13 0.02 0.00 0.77 0.00 0.00 58.65 59.46 2juz h GLN 59 Cb 0.08 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 27.61 2juz h GLN 59 CO -0.02 0.69 0.07 0.00 -1.93 0.00 0.00 178.83 177.64 2juz h ALA 60 N 1.09 0.21 -0.52 3.38 0.00 -0.81 0.30 119.26 122.91 2juz h ALA 60 Ca 0.19 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.04 2juz h ALA 60 Cb 0.15 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2juz h ALA 60 CO -0.02 -0.36 0.03 0.35 0.00 0.00 0.00 179.25 179.26 2juz h PHE 61 N 0.16 0.97 0.20 0.00 3.57 -0.81 -0.84 116.94 120.20 2juz h PHE 61 Ca 0.08 -0.16 0.00 0.00 3.53 0.00 0.00 57.97 61.42 2juz h PHE 61 Cb 0.04 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.51 2juz h PHE 61 CO -0.11 0.89 -0.18 1.03 -2.23 0.00 0.00 178.31 177.71 2juz h SER 62 N 0.78 -0.48 0.21 0.41 0.87 -0.52 -2.15 113.55 112.67 2juz h SER 62 Ca 0.15 0.04 -0.03 0.00 -1.23 0.00 0.00 61.79 60.73 2juz h SER 62 Cb 0.48 0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 62.60 2juz h SER 62 CO 0.02 -0.27 -0.14 0.78 -0.53 0.00 0.00 176.83 176.69 2juz h ASN 63 N -0.40 0.00 -0.54 6.23 2.35 -0.31 0.67 115.58 123.58 2juz h ASN 63 Ca -0.00 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.70 2juz h ASN 63 Cb 0.37 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.71 2juz h ASN 63 CO -0.03 0.14 0.17 0.28 -1.65 0.00 0.00 177.43 176.33 2juz h SER 64 N 0.00 0.82 0.40 5.81 0.02 -0.59 0.21 113.55 120.22 2juz h SER 64 Ca -0.00 -0.14 -0.20 0.00 -0.84 0.00 0.00 61.79 60.61 2juz h SER 64 Cb 0.28 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 2juz h SER 64 CO 0.02 0.78 -0.83 -0.07 -1.14 0.00 0.00 176.83 175.59 2juz h LEU 65 N 0.86 0.40 -0.83 5.07 3.38 -0.47 -2.24 115.31 121.47 2juz h LEU 65 Ca 0.19 -0.29 0.02 0.00 0.09 0.00 0.00 57.88 57.88 2juz h LEU 65 Cb 0.27 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 2juz h LEU 65 CO -0.01 1.07 0.55 0.40 0.09 0.00 0.00 178.44 180.54 2juz h ILE 66 N 0.19 1.19 -0.15 1.22 1.08 -0.33 0.17 117.51 120.89 2juz h ILE 66 Ca -0.05 -0.38 -0.07 0.00 -0.39 0.00 0.00 64.86 63.98 2juz h ILE 66 Cb 1.43 -0.01 -0.01 0.00 -3.07 0.00 0.00 36.82 35.16 2juz h ILE 66 CO 0.14 0.20 -0.21 0.78 -0.69 0.00 0.00 178.15 178.37 2juz h ASN 67 N 1.10 0.25 -0.46 1.72 2.35 -0.50 0.12 115.58 120.17 2juz h ASN 67 Ca 0.31 -0.07 -0.12 0.00 -0.55 0.00 0.00 56.30 55.87 2juz h ASN 67 Cb -0.09 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.20 2juz h ASN 67 CO -0.08 0.47 -0.18 0.00 -1.65 0.00 0.00 177.43 175.99 2juz h ALA 68 N 1.55 0.76 -0.62 -0.83 0.00 -0.64 -0.54 119.26 118.94 2juz h ALA 68 Ca 0.04 -0.38 0.01 0.00 0.00 0.00 0.00 54.91 54.58 2juz h ALA 68 Cb 0.51 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 2juz h ALA 68 CO 0.03 0.67 0.41 0.28 0.00 0.00 0.00 179.25 180.64 2juz h VAL 69 N 0.84 1.16 -0.29 0.00 2.07 0.14 -1.16 116.25 119.01 2juz h VAL 69 Ca 0.12 -0.30 0.01 0.00 0.82 0.00 0.00 66.70 67.34 2juz h VAL 69 Cb 0.75 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 2juz h VAL 69 CO 0.06 0.16 0.19 0.11 0.02 0.00 0.00 177.57 178.11 2juz h LYS 70 N 0.85 0.34 0.00 1.57 1.57 -0.46 0.03 116.57 120.47 2juz h LYS 70 Ca 0.23 -0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 58.92 2juz h LYS 70 Cb -0.09 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.13 2juz h LYS 70 CO -0.05 0.23 -0.31 1.15 -0.57 0.00 0.00 179.45 179.89 2juz h THR 71 N 0.35 0.97 0.00 -0.16 2.02 0.09 -0.10 112.91 116.08 2juz h THR 71 Ca 0.11 -1.19 -0.08 0.00 0.77 0.00 0.00 66.41 66.02 2juz h THR 71 Cb 0.00 1.69 -0.01 0.00 -1.74 0.00 0.00 68.15 68.09 2juz h THR 71 CO -0.02 0.31 -0.40 0.03 0.37 0.00 0.00 175.52 175.80 2juz h ARG 72 N 0.00 0.00 0.00 6.66 2.47 -0.21 -2.38 114.38 120.92 2juz h ARG 72 Ca -0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2juz h ARG 72 Cb 0.66 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.98 2juz h ARG 72 CO 0.04 0.40 -0.11 1.28 0.56 0.00 0.00 179.97 182.15 2juz n LEU 73 N -3.42 0.47 -4.55 3.04 4.32 -0.46 -4.59 117.00 111.80 2juz n LEU 73 Ca 0.00 0.46 -0.42 0.00 -0.02 0.00 0.00 56.01 56.03 2juz n LEU 73 Cb 0.57 -0.37 -0.03 0.00 -1.62 0.00 0.00 43.42 41.97 2juz n LEU 73 CO 0.37 -0.07 0.94 -1.61 -1.22 0.00 0.00 177.39 175.80 2juz s GLU 74 N -3.06 3.42 0.19 3.23 2.02 -0.18 -4.90 118.70 119.41 2juz s GLU 74 Ca 0.11 -0.01 -0.08 0.00 0.02 0.00 0.00 54.97 55.02 2juz s GLU 74 Cb 0.15 -4.04 0.10 0.00 0.10 0.00 0.00 34.13 30.44 2juz s GLU 74 CO 0.59 -1.62 1.62 1.25 0.02 0.00 0.00 175.26 177.12 2juz h HIS 75 N 9.46 1.08 0.00 1.61 2.76 -1.81 -3.44 115.15 124.80 2juz h HIS 75 Ca -0.26 -0.22 0.00 0.00 -2.20 0.00 0.00 60.37 57.69 2juz h HIS 75 Cb 1.06 -0.27 0.00 0.00 1.55 0.00 0.00 27.41 29.76 2juz h HIS 75 CO 0.98 1.02 0.00 0.72 -1.30 0.00 0.00 177.93 179.35 2juz n HIS 76 N -4.14 0.00 -3.63 5.26 8.25 -1.26 -5.08 115.22 114.62 2juz n HIS 76 Ca 0.01 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.25 2juz n HIS 76 Cb 0.40 0.12 0.01 0.00 1.12 0.00 0.00 29.99 31.64 2juz n HIS 76 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2juz n HIS 77 N -1.37 -2.19 -1.92 4.41 -0.00 -1.26 -4.69 115.22 108.20 2juz n HIS 77 Ca 0.00 0.77 -0.30 0.00 -0.00 0.00 0.00 57.72 58.20 2juz n HIS 77 Cb 0.00 -3.20 -0.04 0.00 -0.00 0.00 0.00 29.99 26.74 2juz n HIS 77 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2juz s HIS 78 N -3.12 1.58 -0.68 1.57 2.46 -1.26 -4.82 115.29 111.02 2juz s HIS 78 Ca 0.13 0.98 0.04 0.00 0.47 0.00 0.00 55.06 56.68 2juz s HIS 78 Cb -0.05 -3.92 0.31 0.00 -0.13 0.00 0.00 32.58 28.79 2juz s HIS 78 CO 0.86 -1.99 1.03 -2.39 -2.47 0.00 0.00 174.74 169.78 2juz n HIS 79 N 14.47 3.71 -1.53 3.88 1.44 -1.26 -5.30 115.22 130.62 2juz n HIS 79 Ca 0.34 -3.79 0.00 0.00 -2.01 0.00 0.00 57.72 52.26 2juz n HIS 79 Cb 0.49 -0.63 0.00 0.00 0.12 0.00 0.00 29.99 29.97 2juz n HIS 79 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11