#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 0.34 -2.71 3.04 0.00 -2.12 -3.38 119.26 114.43 2juz h ALA 2 Ca 0.00 -0.54 -0.77 0.00 0.00 0.00 0.00 54.91 53.60 2juz h ALA 2 Cb 0.00 -0.04 -0.27 0.00 0.00 0.00 0.00 17.79 17.48 2juz h ALA 2 CO 0.00 0.61 -0.07 -0.65 0.00 0.00 0.00 179.25 179.14 2juz s GLN 3 N -3.89 3.24 0.06 0.00 -0.21 -1.26 -5.04 119.66 112.57 2juz s GLN 3 Ca -0.11 -2.27 -0.30 0.00 0.02 0.00 0.00 55.36 52.70 2juz s GLN 3 Cb 0.08 -4.26 -0.09 0.00 1.00 0.00 0.00 33.01 29.74 2juz s GLN 3 CO 0.88 -1.27 1.82 -3.38 -2.12 0.00 0.00 175.29 171.22 2juz s HIS 4 N 0.52 1.89 -0.10 0.91 -3.43 -1.26 -4.98 115.29 108.84 2juz s HIS 4 Ca 0.14 -0.08 -0.05 0.00 -0.80 0.00 0.00 55.06 54.27 2juz s HIS 4 Cb -0.17 -4.13 -0.04 0.00 -1.43 0.00 0.00 32.58 26.81 2juz s HIS 4 CO -0.05 -4.79 0.09 -1.12 -2.00 0.00 0.00 174.74 166.86 2juz s SER 5 N 3.29 5.95 0.00 7.38 0.01 -1.26 -5.06 113.70 124.01 2juz s SER 5 Ca 0.81 0.34 0.00 0.00 1.31 0.00 0.00 55.95 58.41 2juz s SER 5 Cb -0.42 -1.84 0.00 0.00 0.21 0.00 0.00 66.02 63.97 2juz s SER 5 CO 0.36 0.39 0.00 1.17 0.41 0.00 0.00 173.24 175.58 2juz n LYS 6 N 2.01 0.00 -3.11 12.44 4.81 -1.26 -5.14 118.16 127.91 2juz n LYS 6 Ca -0.19 0.00 0.04 0.00 -0.87 0.00 0.00 58.31 57.29 2juz n LYS 6 Cb 0.54 0.00 -0.00 0.00 0.02 0.00 0.00 35.03 35.59 2juz n LYS 6 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 2juz s TYR 7 N 3.12 -1.21 -0.25 5.64 2.02 -1.26 -5.12 117.35 120.29 2juz s TYR 7 Ca 0.00 0.57 0.03 0.00 -0.37 0.00 0.00 57.07 57.30 2juz s TYR 7 Cb 0.00 0.21 0.05 0.00 -0.40 0.00 0.00 41.96 41.83 2juz s TYR 7 CO 0.00 -0.74 -0.12 0.45 -1.57 0.00 0.00 175.55 173.57 2juz s SER 8 N 2.62 4.24 0.31 2.29 0.15 -1.26 -4.95 113.70 117.10 2juz s SER 8 Ca 0.17 -1.28 0.25 0.00 0.70 0.00 0.00 55.95 55.80 2juz s SER 8 Cb -0.05 -1.53 1.06 0.00 -1.71 0.00 0.00 66.02 63.79 2juz s SER 8 CO -0.21 -0.16 1.76 -2.24 1.20 0.00 0.00 173.24 173.59 2juz h ASP 9 N 7.80 0.00 0.13 5.45 2.03 -2.00 0.36 116.42 130.19 2juz h ASP 9 Ca -0.23 0.00 -0.17 0.00 -0.73 0.00 0.00 57.03 55.90 2juz h ASP 9 Cb 1.06 0.00 0.02 0.00 -0.83 0.00 0.00 39.33 39.57 2juz h ASP 9 CO 0.49 0.00 -0.74 0.00 -1.03 0.00 0.00 179.24 177.96 2juz h ALA 10 N 2.22 -0.08 -0.06 4.15 0.00 -1.99 -2.39 119.26 121.12 2juz h ALA 10 Ca 0.00 -0.68 -0.16 0.00 0.00 0.00 0.00 54.91 54.07 2juz h ALA 10 Cb 0.39 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2juz h ALA 10 CO 0.00 0.35 -0.66 1.96 0.00 0.00 0.00 179.25 180.90 2juz h GLN 11 N -0.44 0.23 0.81 0.00 1.08 -1.90 -2.64 115.11 112.25 2juz h GLN 11 Ca -0.13 -0.17 -0.04 0.00 -1.45 0.00 0.00 58.65 56.86 2juz h GLN 11 Cb 1.58 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 29.04 2juz h GLN 11 CO 0.13 0.80 -0.43 1.25 -0.95 0.00 0.00 178.83 179.63 2juz h LEU 12 N 0.16 -1.06 -1.21 1.46 6.46 -0.36 -2.22 115.31 118.54 2juz h LEU 12 Ca -0.01 0.05 0.08 0.00 -0.12 0.00 0.00 57.88 57.88 2juz h LEU 12 Cb 1.18 0.29 -0.06 0.00 -0.73 0.00 0.00 40.66 41.34 2juz h LEU 12 CO 0.10 -0.70 0.56 0.77 -0.62 0.00 0.00 178.44 178.55 2juz h SER 13 N -1.14 0.81 -0.93 1.25 4.64 -1.48 0.10 113.55 116.81 2juz h SER 13 Ca -0.11 0.01 0.06 0.00 -0.47 0.00 0.00 61.79 61.28 2juz h SER 13 Cb 0.89 -0.16 -0.06 0.00 -0.31 0.00 0.00 62.40 62.76 2juz h SER 13 CO 0.15 0.50 0.59 0.00 -0.87 0.00 0.00 176.83 177.20 2juz h ALA 14 N 1.55 1.27 -0.07 5.18 0.00 -1.37 0.78 119.26 126.60 2juz h ALA 14 Ca 0.39 -0.02 -0.23 0.00 0.00 0.00 0.00 54.91 55.05 2juz h ALA 14 Cb 0.32 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 17.85 2juz h ALA 14 CO -0.15 0.38 -0.84 0.82 0.00 0.00 0.00 179.25 179.45 2juz h ILE 15 N 1.09 1.30 -0.40 0.00 2.04 -0.26 -1.25 117.51 120.02 2juz h ILE 15 Ca 0.40 -2.07 -0.02 0.00 1.00 0.00 0.00 64.86 64.16 2juz h ILE 15 Cb 0.14 2.22 -0.02 0.00 -0.74 0.00 0.00 36.82 38.42 2juz h ILE 15 CO -0.16 0.64 0.15 0.58 0.00 0.00 0.00 178.15 179.36 2juz h VAL 16 N 0.38 1.20 0.00 1.67 2.07 -0.57 0.19 116.25 121.19 2juz h VAL 16 Ca -0.08 -0.61 -0.04 0.00 0.82 0.00 0.00 66.70 66.78 2juz h VAL 16 Cb 1.49 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 32.11 2juz h VAL 16 CO 0.17 0.22 -0.20 0.78 0.02 0.00 0.00 177.57 178.56 2juz h ASN 17 N 0.50 0.00 0.11 0.57 2.35 -0.92 -2.35 115.58 115.84 2juz h ASN 17 Ca 0.13 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.88 2juz h ASN 17 Cb 0.20 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.57 2juz h ASN 17 CO -0.01 0.20 -0.05 -0.78 -1.65 0.00 0.00 177.43 175.14 2juz h ASP 18 N 0.00 -0.13 -0.93 5.81 3.58 -0.43 -1.42 116.42 122.90 2juz h ASP 18 Ca -0.00 -0.24 0.12 0.00 0.42 0.00 0.00 57.03 57.32 2juz h ASP 18 Cb 0.74 0.03 -0.07 0.00 1.72 0.00 0.00 39.33 41.75 2juz h ASP 18 CO 0.03 0.18 0.60 0.24 -2.88 0.00 0.00 179.24 177.40 2juz h MET 19 N -0.45 0.84 -0.41 0.28 2.86 -0.74 0.43 114.93 117.75 2juz h MET 19 Ca -0.02 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.55 2juz h MET 19 Cb 0.36 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 31.82 2juz h MET 19 CO 0.03 0.56 0.17 0.82 1.06 0.00 0.00 176.91 179.55 2juz h ILE 20 N 0.87 1.19 -0.64 -1.22 2.04 -1.26 0.39 117.51 118.88 2juz h ILE 20 Ca 0.45 -0.57 -0.07 0.00 1.00 0.00 0.00 64.86 65.67 2juz h ILE 20 Cb 0.53 0.81 -0.03 0.00 -0.74 0.00 0.00 36.82 37.39 2juz h ILE 20 CO -0.22 0.21 0.12 0.00 0.00 0.00 0.00 178.15 178.26 2juz h ALA 21 N 1.02 1.00 -0.23 1.87 0.00 0.08 -2.09 119.26 120.90 2juz h ALA 21 Ca 0.14 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.72 2juz h ALA 21 Cb 0.17 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2juz h ALA 21 CO -0.01 0.64 -0.19 0.28 0.00 0.00 0.00 179.25 179.97 2juz h VAL 22 N 0.98 1.24 -0.82 0.00 2.07 0.13 0.18 116.25 120.03 2juz h VAL 22 Ca 0.20 -1.09 -0.03 0.00 0.82 0.00 0.00 66.70 66.59 2juz h VAL 22 Cb 0.40 1.27 -0.04 0.00 -1.52 0.00 0.00 31.29 31.40 2juz h VAL 22 CO 0.01 0.35 0.38 0.25 0.02 0.00 0.00 177.57 178.57 2juz h LEU 23 N 0.37 1.08 0.00 2.57 5.85 0.45 0.17 115.31 125.81 2juz h LEU 23 Ca 0.06 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.64 2juz h LEU 23 Cb 0.55 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.30 2juz h LEU 23 CO 0.04 0.93 -0.53 -0.62 -0.34 0.00 0.00 178.44 177.92 2juz n GLU 24 N -4.32 0.16 -0.03 1.25 -0.58 -0.99 -0.35 120.64 115.78 2juz n GLU 24 Ca 0.08 0.05 -0.16 0.00 -0.42 0.00 0.00 57.16 56.71 2juz n GLU 24 Cb 0.15 -1.60 -0.08 0.00 -0.57 0.00 0.00 31.44 29.34 2juz n GLU 24 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 2juz h LYS 25 N 0.00 0.53 0.00 3.49 1.63 0.38 -2.96 116.57 119.65 2juz h LYS 25 Ca 0.00 -0.42 -0.02 0.00 -0.85 0.00 0.00 60.65 59.36 2juz h LYS 25 Cb 0.63 0.09 -0.00 0.00 -0.60 0.00 0.00 32.23 32.35 2juz h LYS 25 CO 0.00 1.05 -0.61 1.25 -3.45 0.00 0.00 179.45 177.69 2juz h HIS 26 N 0.13 0.00 -5.39 1.91 2.76 -0.81 -3.50 115.15 110.26 2juz h HIS 26 Ca -0.03 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.14 2juz h HIS 26 Cb 1.14 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 30.09 2juz h HIS 26 CO 0.11 0.07 -1.02 1.17 -1.30 0.00 0.00 177.93 176.96 2juz n LYS 27 N -2.89 -2.92 -5.02 5.26 4.81 0.53 -5.05 118.16 112.89 2juz n LYS 27 Ca 0.01 2.43 -0.32 0.00 -0.87 0.00 0.00 58.31 59.55 2juz n LYS 27 Cb 0.57 -4.48 -0.15 0.00 0.02 0.00 0.00 35.03 30.99 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 -1.46 2.45 0.99 3.14 0.00 -0.17 -4.97 121.76 121.74 2juz s ALA 28 Ca -0.01 -0.98 -0.12 0.00 0.00 0.00 0.00 51.96 50.84 2juz s ALA 28 Cb 0.00 -0.91 0.18 0.00 0.00 0.00 0.00 23.12 22.39 2juz s ALA 28 CO 0.63 0.42 1.09 -2.14 0.00 0.00 0.00 175.76 175.76 2juz s PRO 29 N -0.22 0.50 0.19 0.00 0.02 -1.26 -4.75 135.00 129.48 2juz s PRO 29 Ca -0.00 0.60 -0.12 0.00 0.02 0.00 0.00 61.00 61.50 2juz s PRO 29 Cb -0.13 -1.74 0.11 0.00 0.02 0.00 0.00 34.50 32.76 2juz s PRO 29 CO 0.03 -2.70 1.83 0.28 -0.33 0.00 0.00 177.00 176.11 2juz h VAL 30 N -1.88 1.19 0.05 3.83 2.07 -2.00 0.14 116.25 119.65 2juz h VAL 30 Ca -0.54 -0.42 -0.00 0.00 0.82 0.00 0.00 66.70 66.55 2juz h VAL 30 Cb 1.32 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 31.37 2juz h VAL 30 CO 0.56 0.20 -0.03 -2.24 0.02 0.00 0.00 177.57 176.09 2juz h ASP 31 N 0.90 -0.06 -0.80 0.57 3.04 -1.99 -1.00 116.42 117.08 2juz h ASP 31 Ca 0.24 -0.44 0.10 0.00 -3.24 0.00 0.00 57.03 53.69 2juz h ASP 31 Cb -0.03 0.02 -0.07 0.00 -1.04 0.00 0.00 39.33 38.20 2juz h ASP 31 CO -0.04 0.42 0.44 -0.07 -2.04 0.00 0.00 179.24 177.95 2juz h LEU 32 N -0.56 0.61 -0.24 0.15 -0.00 -1.91 -0.64 115.31 112.72 2juz h LEU 32 Ca -0.01 0.06 -0.01 0.00 -0.00 0.00 0.00 57.88 57.92 2juz h LEU 32 Cb 0.49 -0.06 -0.01 0.00 -0.00 0.00 0.00 40.66 41.08 2juz h LEU 32 CO 0.01 0.34 0.13 -1.28 -0.00 0.00 0.00 178.44 177.64 2juz h SER 33 N 0.73 0.31 -0.85 -0.43 0.87 -0.63 0.87 113.55 114.43 2juz h SER 33 Ca 0.39 -0.09 -0.03 0.00 -1.23 0.00 0.00 61.79 60.83 2juz h SER 33 Cb 0.40 -0.08 -0.04 0.00 -0.44 0.00 0.00 62.40 62.24 2juz h SER 33 CO -0.26 0.31 0.40 -0.07 -0.53 0.00 0.00 176.83 176.68 2juz h LEU 34 N 0.28 1.11 -0.44 2.23 3.38 -0.54 0.28 115.31 121.61 2juz h LEU 34 Ca 0.08 -0.14 -0.15 0.00 0.09 0.00 0.00 57.88 57.76 2juz h LEU 34 Cb 0.08 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 2juz h LEU 34 CO -0.01 0.94 -0.35 0.40 0.09 0.00 0.00 178.44 179.50 2juz h ILE 35 N 1.21 1.27 -0.38 1.22 2.04 -0.95 -0.29 117.51 121.62 2juz h ILE 35 Ca 0.29 -1.52 -0.01 0.00 1.00 0.00 0.00 64.86 64.61 2juz h ILE 35 Cb 0.13 1.34 -0.02 0.00 -0.74 0.00 0.00 36.82 37.53 2juz h ILE 35 CO -0.04 0.51 0.18 0.00 0.00 0.00 0.00 178.15 178.81 2juz h ALA 36 N 0.82 0.49 -0.58 1.87 0.00 -0.34 -1.16 119.26 120.37 2juz h ALA 36 Ca 0.07 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 2juz h ALA 36 Cb 0.94 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 2juz h ALA 36 CO 0.09 0.06 0.30 -0.07 0.00 0.00 0.00 179.25 179.62 2juz h LEU 37 N 0.48 0.72 0.16 0.00 3.38 -0.35 0.28 115.31 119.99 2juz h LEU 37 Ca 0.13 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 2juz h LEU 37 Cb 0.12 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.69 2juz h LEU 37 CO -0.02 0.60 -0.08 1.23 0.09 0.00 0.00 178.44 180.26 2juz h GLY 38 N 0.89 -0.23 0.95 0.83 0.00 -0.48 0.33 103.07 105.36 2juz h GLY 38 Ca 0.21 0.09 -0.01 0.00 0.00 0.00 0.00 47.33 47.62 2juz h GLY 38 CO -0.03 -0.09 0.17 3.43 0.00 0.00 0.00 176.54 180.02 2juz h ASN 39 N -0.23 0.42 0.17 0.19 4.21 -0.85 -2.31 115.58 117.18 2juz h ASN 39 Ca -0.02 -0.10 -0.01 0.00 1.21 0.00 0.00 56.30 57.38 2juz h ASN 39 Cb 0.18 -0.11 0.00 0.00 -1.12 0.00 0.00 38.32 37.28 2juz h ASN 39 CO 0.03 0.40 -0.08 -0.03 -1.29 0.00 0.00 177.43 176.46 2juz h MET 40 N 0.40 -0.22 -0.00 0.81 4.05 -0.29 -1.43 114.93 118.25 2juz h MET 40 Ca 0.11 0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.55 2juz h MET 40 Cb 0.08 0.05 -0.00 0.00 -0.80 0.00 0.00 31.60 30.93 2juz h MET 40 CO -0.02 -0.09 0.00 0.00 0.23 0.00 0.00 176.91 177.03 2juz h ALA 41 N 0.53 0.00 -0.35 0.39 0.00 -0.35 -1.66 119.26 117.82 2juz h ALA 41 Ca -0.02 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.93 2juz h ALA 41 Cb 0.23 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 2juz h ALA 41 CO 0.04 -0.49 0.07 0.77 0.00 0.00 0.00 179.25 179.64 2juz h SER 42 N -0.02 0.01 -0.21 0.00 0.02 -1.37 0.22 113.55 112.20 2juz h SER 42 Ca 0.00 0.06 0.03 0.00 -0.84 0.00 0.00 61.79 61.04 2juz h SER 42 Cb 0.02 0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.61 2juz h SER 42 CO -0.00 0.04 0.01 -1.13 -1.14 0.00 0.00 176.83 174.61 2juz h ASN 43 N 0.19 -0.05 -0.19 3.07 -1.24 -1.02 -1.29 115.58 115.05 2juz h ASN 43 Ca 0.17 0.04 -0.17 0.00 0.71 0.00 0.00 56.30 57.05 2juz h ASN 43 Cb 0.19 0.07 -0.00 0.00 0.73 0.00 0.00 38.32 39.31 2juz h ASN 43 CO -0.22 0.00 -0.53 -0.07 -1.29 0.00 0.00 177.43 175.32 2juz h LEU 44 N 0.08 0.85 -0.47 0.34 3.38 -0.89 -2.81 115.31 115.79 2juz h LEU 44 Ca 0.10 -0.45 0.00 0.00 0.09 0.00 0.00 57.88 57.62 2juz h LEU 44 Cb 0.11 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.62 2juz h LEU 44 CO -0.15 1.22 0.00 0.18 0.09 0.00 0.00 178.44 179.77 2juz n LEU 45 N -4.00 0.54 -1.14 1.67 4.77 0.73 -0.82 117.00 118.75 2juz n LEU 45 Ca -0.04 0.62 0.08 0.00 -0.03 0.00 0.00 56.01 56.65 2juz n LEU 45 Cb 0.61 -0.53 0.27 0.00 -2.33 0.00 0.00 43.42 41.44 2juz n LEU 45 CO 0.49 -0.44 0.73 0.35 -1.33 0.00 0.00 177.39 177.19 2juz n THR 46 N -2.08 1.50 0.00 -5.08 -2.24 -0.51 -4.31 114.28 101.56 2juz n THR 46 Ca 0.03 -1.21 0.00 0.00 -2.27 0.00 0.00 64.05 60.60 2juz n THR 46 Cb 0.25 0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 2juz n THR 46 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 2juz n THR 47 N 0.77 0.00 0.06 4.28 5.66 -0.78 -4.92 114.28 119.34 2juz n THR 47 Ca 0.20 0.00 -0.21 0.00 -3.05 0.00 0.00 64.05 60.99 2juz n THR 47 Cb 0.70 -0.40 -0.15 0.00 -1.55 0.00 0.00 70.33 68.94 2juz n THR 47 CO 0.00 0.00 0.00 -1.28 -3.05 0.00 0.00 175.07 170.74 2juz h SER 48 N 0.00 0.53 -3.03 1.09 0.87 -1.25 -3.46 113.55 108.30 2juz h SER 48 Ca 0.00 -0.93 -0.63 0.00 -1.23 0.00 0.00 61.79 59.00 2juz h SER 48 Cb 0.28 -0.17 -0.06 0.00 -0.44 0.00 0.00 62.40 62.00 2juz h SER 48 CO 0.00 1.51 -0.55 0.68 -0.53 0.00 0.00 176.83 177.94 2juz s VAL 49 N -2.47 4.99 0.33 2.23 -7.23 -1.25 -5.08 120.40 111.92 2juz s VAL 49 Ca -0.14 -0.54 -0.29 0.00 -1.81 0.00 0.00 61.98 59.20 2juz s VAL 49 Cb 0.02 -3.41 -0.10 0.00 0.56 0.00 0.00 36.38 33.45 2juz s VAL 49 CO 0.84 0.15 1.34 -2.84 -0.31 0.00 0.00 175.10 174.28 2juz s PRO 50 N -2.39 4.31 0.36 4.82 0.02 -1.26 -4.61 135.00 136.25 2juz s PRO 50 Ca 0.32 2.28 0.07 0.00 0.02 0.00 0.00 61.00 63.68 2juz s PRO 50 Cb -0.13 -3.06 0.77 0.00 0.02 0.00 0.00 34.50 32.11 2juz s PRO 50 CO 0.24 -0.25 1.93 1.96 -0.33 0.00 0.00 177.00 180.55 2juz h GLN 51 N 3.40 0.71 0.00 5.54 7.50 -1.95 0.20 115.11 130.51 2juz h GLN 51 Ca -0.49 -0.04 0.00 0.00 0.50 0.00 0.00 58.65 58.62 2juz h GLN 51 Cb 1.23 -0.16 0.00 0.00 0.05 0.00 0.00 27.48 28.60 2juz h GLN 51 CO 0.66 0.47 0.00 0.00 -1.50 0.00 0.00 178.83 178.46 2juz h THR 52 N 0.73 0.00 0.00 -0.54 1.03 -1.99 -2.46 112.91 109.69 2juz h THR 52 Ca 0.35 -0.27 -0.03 0.00 -0.01 0.00 0.00 66.41 66.46 2juz h THR 52 Cb 0.40 1.19 -0.01 0.00 -1.07 0.00 0.00 68.15 68.67 2juz h THR 52 CO -0.13 0.00 -1.65 0.00 -0.01 0.00 0.00 175.52 173.73 2juz n GLN 53 N -2.92 0.61 0.08 0.00 6.02 -0.05 -4.65 117.38 116.48 2juz n GLN 53 Ca -0.01 -0.11 -0.12 0.00 -0.01 0.00 0.00 57.00 56.76 2juz n GLN 53 Cb 0.20 -1.32 -0.05 0.00 1.02 0.00 0.00 30.24 30.09 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 -0.39 1.00 0.28 0.00 4.81 -1.83 0.78 114.58 119.23 2juz h GLU 55 Ca 0.05 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 2juz h GLU 55 Cb 0.45 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.61 2juz h GLU 55 CO -0.18 0.66 -0.14 0.00 -0.73 0.00 0.00 179.01 178.63 2juz h ALA 56 N 1.37 -0.38 -0.60 2.92 0.00 -1.66 -1.49 119.26 119.42 2juz h ALA 56 Ca 0.35 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 55.00 2juz h ALA 56 Cb 0.06 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2juz h ALA 56 CO -0.14 -0.59 -0.01 -0.07 0.00 0.00 0.00 179.25 178.44 2juz h LEU 57 N -0.63 1.05 -0.35 0.00 4.07 -0.75 0.11 115.31 118.80 2juz h LEU 57 Ca -0.04 -0.31 -0.03 0.00 0.08 0.00 0.00 57.88 57.58 2juz h LEU 57 Cb 0.45 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 41.89 2juz h LEU 57 CO 0.06 1.11 0.08 0.00 -1.08 0.00 0.00 178.44 178.61 2juz h ALA 58 N 1.00 0.46 -0.20 1.53 0.00 -0.87 0.33 119.26 121.51 2juz h ALA 58 Ca 0.17 -0.18 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 2juz h ALA 58 Cb 0.57 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2juz h ALA 58 CO 0.03 0.14 -0.47 0.37 0.00 0.00 0.00 179.25 179.32 2juz h GLN 59 N 0.41 0.52 -0.67 0.00 4.15 -1.13 -1.88 115.11 116.51 2juz h GLN 59 Ca 0.11 -0.29 -0.04 0.00 0.77 0.00 0.00 58.65 59.20 2juz h GLN 59 Cb 0.31 0.02 -0.03 0.00 0.21 0.00 0.00 27.48 27.98 2juz h GLN 59 CO 0.00 0.88 0.26 0.00 -1.93 0.00 0.00 178.83 178.04 2juz h ALA 60 N 1.07 1.20 -0.73 3.38 0.00 -0.59 -0.76 119.26 122.82 2juz h ALA 60 Ca 0.02 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 2juz h ALA 60 Cb 0.98 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 2juz h ALA 60 CO 0.09 0.58 0.37 0.35 0.00 0.00 0.00 179.25 180.64 2juz h PHE 61 N 0.97 1.02 0.23 0.00 3.57 -0.51 0.57 116.94 122.78 2juz h PHE 61 Ca 0.23 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 2juz h PHE 61 Cb 0.20 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 38.62 2juz h PHE 61 CO 0.02 0.73 -0.11 1.03 -2.23 0.00 0.00 178.31 177.75 2juz h SER 62 N 1.03 -0.26 -0.80 0.41 0.87 -0.53 -0.73 113.55 113.54 2juz h SER 62 Ca 0.26 -0.06 0.09 0.00 -1.23 0.00 0.00 61.79 60.85 2juz h SER 62 Cb 0.08 0.07 -0.05 0.00 -0.44 0.00 0.00 62.40 62.05 2juz h SER 62 CO -0.04 -0.10 0.52 0.78 -0.53 0.00 0.00 176.83 177.46 2juz h ASN 63 N -0.39 0.69 -0.62 6.23 2.35 -0.81 0.22 115.58 123.25 2juz h ASN 63 Ca -0.03 0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 55.69 2juz h ASN 63 Cb 0.30 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 38.51 2juz h ASN 63 CO 0.05 0.42 0.21 0.28 -1.65 0.00 0.00 177.43 176.74 2juz h SER 64 N 0.77 0.88 -0.45 5.81 0.02 -0.55 -0.85 113.55 119.18 2juz h SER 64 Ca 0.36 -0.20 -0.09 0.00 -0.84 0.00 0.00 61.79 61.03 2juz h SER 64 Cb 0.39 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.68 2juz h SER 64 CO -0.14 0.84 -0.04 -0.07 -1.14 0.00 0.00 176.83 176.29 2juz h LEU 65 N 0.88 0.86 -0.43 5.07 3.38 0.52 0.99 115.31 126.58 2juz h LEU 65 Ca 0.20 -0.24 0.01 0.00 0.09 0.00 0.00 57.88 57.95 2juz h LEU 65 Cb 0.26 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 2juz h LEU 65 CO -0.01 0.94 0.27 0.40 0.09 0.00 0.00 178.44 180.13 2juz h ILE 66 N 0.81 1.08 -0.55 1.22 1.08 -0.22 0.19 117.51 121.12 2juz h ILE 66 Ca 0.15 -0.19 -0.09 0.00 -0.39 0.00 0.00 64.86 64.34 2juz h ILE 66 Cb 0.54 0.48 -0.02 0.00 -3.07 0.00 0.00 36.82 34.75 2juz h ILE 66 CO 0.03 0.10 0.01 0.78 -0.69 0.00 0.00 178.15 178.37 2juz h ASN 67 N 0.54 0.94 -0.49 1.72 2.35 -0.93 -2.17 115.58 117.54 2juz h ASN 67 Ca 0.16 -0.30 0.01 0.00 -0.55 0.00 0.00 56.30 55.62 2juz h ASN 67 Cb -0.03 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.06 2juz h ASN 67 CO -0.06 1.02 0.32 0.00 -1.65 0.00 0.00 177.43 177.06 2juz h ALA 68 N 0.96 0.63 -0.04 -0.83 0.00 -0.19 0.16 119.26 119.94 2juz h ALA 68 Ca 0.16 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2juz h ALA 68 Cb 0.53 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 2juz h ALA 68 CO 0.03 0.05 0.03 0.28 0.00 0.00 0.00 179.25 179.63 2juz h VAL 69 N 0.65 1.02 -0.72 0.00 2.07 -0.56 -2.33 116.25 116.38 2juz h VAL 69 Ca 0.18 -0.05 0.01 0.00 0.82 0.00 0.00 66.70 67.66 2juz h VAL 69 Cb -0.05 0.98 -0.04 0.00 -1.52 0.00 0.00 31.29 30.66 2juz h VAL 69 CO -0.05 0.02 0.48 0.11 0.02 0.00 0.00 177.57 178.14 2juz h LYS 70 N 0.05 0.94 -0.76 1.57 1.57 -1.05 -0.86 116.57 118.02 2juz h LYS 70 Ca 0.02 -0.06 0.02 0.00 -1.87 0.00 0.00 60.65 58.76 2juz h LYS 70 Cb 0.01 -0.21 -0.04 0.00 0.08 0.00 0.00 32.23 32.07 2juz h LYS 70 CO -0.00 0.62 0.50 1.15 -0.57 0.00 0.00 179.45 181.15 2juz h THR 71 N 0.96 1.15 -0.20 -0.16 2.02 -0.27 0.35 112.91 116.76 2juz h THR 71 Ca 0.27 -0.33 -0.16 0.00 0.77 0.00 0.00 66.41 66.95 2juz h THR 71 Cb -0.09 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 66.42 2juz h THR 71 CO -0.06 0.18 -0.51 0.03 0.37 0.00 0.00 175.52 175.53 2juz h ARG 72 N 0.98 0.71 0.00 6.66 2.47 -0.73 -2.98 114.38 121.48 2juz h ARG 72 Ca 0.29 -0.49 0.00 0.00 -1.26 0.00 0.00 59.98 58.52 2juz h ARG 72 Cb -0.03 0.07 0.00 0.00 -1.65 0.00 0.00 29.97 28.36 2juz h ARG 72 CO -0.07 1.11 0.00 -0.07 0.56 0.00 0.00 179.97 181.50 2juz h LEU 73 N 0.42 0.00 -1.47 3.04 4.07 -0.53 -2.71 115.31 118.12 2juz h LEU 73 Ca -0.01 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.95 2juz h LEU 73 Cb 1.13 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.87 2juz h LEU 73 CO 0.11 0.00 0.00 -0.62 -1.08 0.00 0.00 178.44 176.85 2juz n GLU 74 N -2.46 0.91 -1.62 1.13 -0.58 0.12 -4.79 120.64 113.35 2juz n GLU 74 Ca 0.02 0.00 -0.35 0.00 -0.42 0.00 0.00 57.16 56.41 2juz n GLU 74 Cb 0.28 -1.26 -0.03 0.00 -0.57 0.00 0.00 31.44 29.85 2juz n GLU 74 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 2juz s HIS 75 N -0.49 1.14 -0.28 -0.32 5.65 -1.03 -4.91 115.29 115.06 2juz s HIS 75 Ca 0.00 1.51 -0.22 0.00 0.25 0.00 0.00 55.06 56.60 2juz s HIS 75 Cb 0.00 -3.63 -0.01 0.00 -1.18 0.00 0.00 32.58 27.76 2juz s HIS 75 CO 0.00 -2.44 0.70 -1.01 -0.65 0.00 0.00 174.74 171.35 2juz s HIS 76 N 12.05 3.25 0.00 3.88 0.09 -1.26 -4.78 115.29 128.52 2juz s HIS 76 Ca 0.94 0.82 0.00 0.00 -0.00 0.00 0.00 55.06 56.82 2juz s HIS 76 Cb -0.16 -3.00 0.00 0.00 -0.00 0.00 0.00 32.58 29.42 2juz s HIS 76 CO 0.24 -0.43 0.00 1.58 -0.00 0.00 0.00 174.74 176.13 2juz n HIS 77 N 5.91 0.00 0.08 1.40 -0.00 -1.26 -4.85 115.22 116.50 2juz n HIS 77 Ca 0.01 0.00 -0.23 0.00 0.46 0.00 0.00 57.72 57.96 2juz n HIS 77 Cb 0.48 0.00 -0.15 0.00 -0.12 0.00 0.00 29.99 30.20 2juz n HIS 77 CO 0.00 0.00 0.00 1.25 0.46 0.00 0.00 176.34 178.05 2juz h HIS 78 N 0.00 0.73 -3.53 1.57 -0.00 -2.02 -3.43 115.15 108.47 2juz h HIS 78 Ca 0.00 -0.54 -0.61 0.00 -0.00 0.00 0.00 60.37 59.22 2juz h HIS 78 Cb 0.24 -0.03 -0.12 0.00 -0.00 0.00 0.00 27.41 27.50 2juz h HIS 78 CO 0.00 1.65 0.01 -1.58 -0.00 0.00 0.00 177.93 178.01 2juz s HIS 79 N -2.57 3.30 -2.35 5.26 5.04 -1.26 -5.31 115.29 117.40 2juz s HIS 79 Ca -0.15 0.71 0.29 0.00 -1.54 0.00 0.00 55.06 54.37 2juz s HIS 79 Cb 0.05 -2.72 1.30 0.00 0.04 0.00 0.00 32.58 31.25 2juz s HIS 79 CO 0.86 -0.23 1.89 0.72 -2.34 0.00 0.00 174.74 175.63