#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2juw s ALA 2 N 0.00 3.80 -0.00 -5.12 0.00 -1.26 -4.76 121.76 114.41 2juw s ALA 2 Ca 0.00 -3.69 0.00 0.00 0.00 0.00 0.00 51.96 48.27 2juw s ALA 2 Cb 0.00 -2.34 0.00 0.00 0.00 0.00 0.00 23.12 20.78 2juw s ALA 2 CO 0.00 -2.10 0.93 0.44 0.00 0.00 0.00 175.76 175.03 2juw n ILE 3 N 2.38 0.03 -4.56 0.00 -6.64 -1.26 -5.09 119.36 104.21 2juw n ILE 3 Ca 0.16 -0.03 -0.26 0.00 -1.77 0.00 0.00 62.75 60.85 2juw n ILE 3 Cb 0.35 0.56 -0.14 0.00 -1.44 0.00 0.00 39.64 38.98 2juw n ILE 3 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 2juw s GLN 4 N -0.04 1.37 0.32 6.28 0.00 -1.26 -5.13 119.66 121.21 2juw s GLN 4 Ca 0.00 -1.05 -0.26 0.00 -0.00 0.00 0.00 55.36 54.05 2juw s GLN 4 Cb 0.00 -1.56 -0.10 0.00 0.00 0.00 0.00 33.01 31.36 2juw s GLN 4 CO 0.00 0.39 0.96 -1.12 0.00 0.00 0.00 175.29 175.52 2juw s SER 5 N -1.44 7.31 0.00 12.60 0.01 -1.26 -4.96 113.70 125.96 2juw s SER 5 Ca 0.08 1.88 0.00 0.00 1.31 0.00 0.00 55.95 59.22 2juw s SER 5 Cb -0.09 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.55 2juw s SER 5 CO 0.03 -0.09 0.10 2.29 0.41 0.00 0.00 173.24 175.98 2juw n LYS 6 N 0.58 5.02 -3.11 12.44 0.00 -1.26 -5.09 118.16 126.74 2juw n LYS 6 Ca 0.02 -0.10 -0.00 0.00 -0.00 0.00 0.00 58.31 58.23 2juw n LYS 6 Cb 0.50 -0.58 -0.00 0.00 -0.00 0.00 0.00 35.03 34.94 2juw n LYS 6 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.40 179.88 2juw n TYR 7 N -0.75 -0.00 -1.44 5.58 4.11 -1.26 -4.96 117.16 118.44 2juw n TYR 7 Ca 0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 57.90 57.69 2juw n TYR 7 Cb 0.00 -1.00 0.16 0.00 -0.00 0.00 0.00 39.34 38.50 2juw n TYR 7 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.86 177.31 2juw n SER 8 N 2.20 -0.48 -0.25 9.48 2.88 -1.26 -4.72 113.62 121.48 2juw n SER 8 Ca -0.00 -1.24 0.04 0.00 -1.33 0.00 0.00 58.87 56.34 2juw n SER 8 Cb 0.13 -0.74 0.17 0.00 -0.75 0.00 0.00 64.21 63.03 2juw n SER 8 CO 0.00 0.00 0.00 -1.13 -1.23 0.00 0.00 175.04 172.68 2juw h ASN 9 N -1.56 0.32 -0.50 -3.46 -1.24 -1.99 -1.95 115.58 105.19 2juw h ASN 9 Ca -0.31 0.09 0.05 0.00 0.71 0.00 0.00 56.30 56.85 2juw h ASN 9 Cb 0.87 0.06 -0.05 0.00 0.73 0.00 0.00 38.32 39.94 2juw h ASN 9 CO 0.21 0.15 0.24 0.74 -1.29 0.00 0.00 177.43 177.48 2juw h THR 10 N 0.48 0.93 -0.40 -3.57 2.02 -1.98 0.43 112.91 110.83 2juw h THR 10 Ca 0.39 -0.16 -0.03 0.00 0.77 0.00 0.00 66.41 67.38 2juw h THR 10 Cb 0.54 0.42 -0.02 0.00 -1.74 0.00 0.00 68.15 67.36 2juw h THR 10 CO -0.36 0.09 0.13 -0.61 0.37 0.00 0.00 175.52 175.13 2juw h GLN 11 N 0.47 0.61 -0.19 6.66 4.15 -1.69 0.22 115.11 125.34 2juw h GLN 11 Ca 0.23 -0.13 -0.15 0.00 0.77 0.00 0.00 58.65 59.37 2juw h GLN 11 Cb 0.16 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 27.76 2juw h GLN 11 CO -0.17 0.61 -0.45 0.28 -1.93 0.00 0.00 178.83 177.16 2juw h VAL 12 N 0.50 1.32 -0.71 2.39 2.07 -1.20 -2.64 116.25 117.99 2juw h VAL 12 Ca 0.13 -1.69 0.03 0.00 0.82 0.00 0.00 66.70 65.99 2juw h VAL 12 Cb 0.25 1.90 -0.05 0.00 -1.52 0.00 0.00 31.29 31.87 2juw h VAL 12 CO -0.01 0.52 0.44 -0.08 0.02 0.00 0.00 177.57 178.47 2juw h GLU 13 N 0.33 0.82 -0.42 1.57 4.81 -0.01 0.11 114.58 121.80 2juw h GLU 13 Ca -0.00 -0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.20 2juw h GLU 13 Cb 1.06 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 30.23 2juw h GLU 13 CO 0.10 0.55 0.24 0.77 -0.73 0.00 0.00 179.01 179.93 2juw h SER 14 N 0.85 0.37 -0.16 1.04 0.02 -0.93 0.35 113.55 115.09 2juw h SER 14 Ca 0.29 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.24 2juw h SER 14 Cb 0.04 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.51 2juw h SER 14 CO -0.12 0.27 0.09 0.25 -1.14 0.00 0.00 176.83 176.18 2juw h LEU 15 N 0.47 0.20 -0.65 5.07 5.85 -0.95 -0.13 115.31 125.17 2juw h LEU 15 Ca 0.17 -0.07 -0.06 0.00 0.84 0.00 0.00 57.88 58.76 2juw h LEU 15 Cb 0.03 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 2juw h LEU 15 CO -0.09 0.20 0.17 0.40 -0.34 0.00 0.00 178.44 178.79 2juw h ILE 16 N 0.17 1.26 -0.86 4.05 2.04 -0.56 -2.10 117.51 121.51 2juw h ILE 16 Ca 0.06 -0.92 -0.03 0.00 1.00 0.00 0.00 64.86 64.97 2juw h ILE 16 Cb 0.05 0.60 -0.04 0.00 -0.74 0.00 0.00 36.82 36.69 2juw h ILE 16 CO -0.01 0.35 0.43 0.00 0.00 0.00 0.00 178.15 178.92 2juw h ALA 17 N 1.07 1.11 -0.24 1.87 0.00 -0.04 -1.93 119.26 121.10 2juw h ALA 17 Ca 0.21 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 2juw h ALA 17 Cb 0.34 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2juw h ALA 17 CO -0.00 0.66 -0.14 0.93 0.00 0.00 0.00 179.25 180.70 2juw h GLU 18 N 1.23 0.52 -0.09 0.00 5.08 -0.69 -0.08 114.58 120.54 2juw h GLU 18 Ca 0.30 -0.24 -0.07 0.00 -1.00 0.00 0.00 59.36 58.36 2juw h GLU 18 Cb 0.09 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 2juw h GLU 18 CO -0.04 0.80 -0.25 -0.84 -1.00 0.00 0.00 179.01 177.68 2juw h ILE 19 N 0.23 1.22 -0.29 3.13 3.07 -1.31 -0.69 117.51 122.87 2juw h ILE 19 Ca 0.05 -1.02 -0.11 0.00 1.55 0.00 0.00 64.86 65.33 2juw h ILE 19 Cb 0.66 1.43 -0.01 0.00 -0.27 0.00 0.00 36.82 38.63 2juw h ILE 19 CO 0.04 0.30 -0.26 -0.07 -1.05 0.00 0.00 178.15 177.12 2juw h LEU 20 N 0.14 0.72 -1.14 0.16 3.38 -1.11 -2.51 115.31 114.96 2juw h LEU 20 Ca 0.02 -0.46 0.02 0.00 0.09 0.00 0.00 57.88 57.55 2juw h LEU 20 Cb 0.52 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 41.02 2juw h LEU 20 CO 0.04 1.03 0.59 0.58 0.09 0.00 0.00 178.44 180.76 2juw h VAL 21 N 0.42 1.21 -0.20 1.22 2.07 -0.41 0.68 116.25 121.25 2juw h VAL 21 Ca 0.05 -0.40 0.02 0.00 0.82 0.00 0.00 66.70 67.18 2juw h VAL 21 Cb 0.82 -0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 2juw h VAL 21 CO 0.07 0.21 0.08 0.58 0.02 0.00 0.00 177.57 178.53 2juw h VAL 22 N 1.18 0.97 -0.31 2.57 2.07 -1.05 0.36 116.25 122.03 2juw h VAL 22 Ca 0.33 -0.06 0.06 0.00 0.82 0.00 0.00 66.70 67.85 2juw h VAL 22 Cb -0.10 0.78 -0.05 0.00 -1.52 0.00 0.00 31.29 30.39 2juw h VAL 22 CO -0.08 0.03 -0.01 -0.07 0.02 0.00 0.00 177.57 177.46 2juw h LEU 23 N 0.18 -0.15 -1.28 2.57 3.38 -0.88 -2.39 115.31 116.73 2juw h LEU 23 Ca 0.08 0.07 -0.04 0.00 0.09 0.00 0.00 57.88 58.08 2juw h LEU 23 Cb 0.04 0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 2juw h LEU 23 CO -0.07 -0.04 0.03 -0.33 0.09 0.00 0.00 178.44 178.11 2juw h GLU 24 N 0.07 0.51 -0.51 1.13 3.07 -0.37 0.18 114.58 118.66 2juw h GLU 24 Ca 0.15 -0.10 -0.04 0.00 -0.50 0.00 0.00 59.36 58.87 2juw h GLU 24 Cb 0.21 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.01 2juw h GLU 24 CO -0.26 0.52 0.16 0.87 -1.40 0.00 0.00 179.01 178.89 2juw h LYS 25 N 0.49 0.76 0.00 2.33 1.57 0.17 -1.81 116.57 120.09 2juw h LYS 25 Ca 0.11 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2juw h LYS 25 Cb 0.28 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.47 2juw h LYS 25 CO 0.01 0.66 -0.68 0.45 -0.57 0.00 0.00 179.45 179.32 2juw h HIS 26 N 0.74 0.00 -5.91 -1.35 3.86 -1.01 -3.49 115.15 107.99 2juw h HIS 26 Ca 0.17 0.00 -0.19 0.00 -1.16 0.00 0.00 60.37 59.19 2juw h HIS 26 Cb 0.22 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.70 2juw h HIS 26 CO 0.01 0.00 -0.87 1.17 0.86 0.00 0.00 177.93 179.11 2juw n LYS 27 N -2.23 -2.15 -4.20 2.45 4.81 0.60 -4.99 118.16 112.46 2juw n LYS 27 Ca 0.03 1.78 -0.35 0.00 -0.87 0.00 0.00 58.31 58.90 2juw n LYS 27 Cb 0.46 -3.84 -0.09 0.00 0.02 0.00 0.00 35.03 31.58 2juw n LYS 27 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2juw s ALA 28 N -2.00 3.38 1.00 3.14 0.00 -1.20 -5.04 121.76 121.03 2juw s ALA 28 Ca 0.30 -0.76 -0.12 0.00 0.00 0.00 0.00 51.96 51.38 2juw s ALA 28 Cb -0.05 -1.69 0.19 0.00 0.00 0.00 0.00 23.12 21.57 2juw s ALA 28 CO 0.80 0.43 1.08 -1.25 0.00 0.00 0.00 175.76 176.83 2juw s PRO 29 N -0.40 0.39 0.18 0.00 0.04 -1.26 -4.64 135.00 129.31 2juw s PRO 29 Ca 0.09 0.87 -0.14 0.00 0.04 0.00 0.00 61.00 61.86 2juw s PRO 29 Cb -0.12 -1.71 0.14 0.00 0.04 0.00 0.00 34.50 32.86 2juw s PRO 29 CO 0.02 -2.85 1.75 1.15 0.04 0.00 0.00 177.00 177.12 2juw h THR 30 N -1.99 0.86 -0.71 1.26 2.02 -1.99 0.16 112.91 112.52 2juw h THR 30 Ca -0.53 -0.12 0.08 0.00 0.77 0.00 0.00 66.41 66.61 2juw h THR 30 Cb 1.31 0.48 -0.07 0.00 -1.74 0.00 0.00 68.15 68.12 2juw h THR 30 CO 0.52 0.06 0.37 0.44 0.37 0.00 0.00 175.52 177.28 2juw h ASP 31 N 0.35 0.51 -0.10 4.18 5.19 -1.99 -0.54 116.42 124.02 2juw h ASP 31 Ca 0.22 0.05 -0.16 0.00 -0.62 0.00 0.00 57.03 56.52 2juw h ASP 31 Cb 0.22 -0.04 0.01 0.00 0.18 0.00 0.00 39.33 39.69 2juw h ASP 31 CO -0.22 0.30 -0.57 0.25 -3.12 0.00 0.00 179.24 175.89 2juw h LEU 32 N 0.64 0.67 -0.28 1.55 5.85 -1.62 -2.43 115.31 119.70 2juw h LEU 32 Ca 0.34 -0.65 -0.01 0.00 0.84 0.00 0.00 57.88 58.39 2juw h LEU 32 Cb 0.31 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 2juw h LEU 32 CO -0.24 1.21 0.13 0.77 -0.34 0.00 0.00 178.44 179.98 2juw h SER 33 N 0.16 0.37 -0.34 1.25 4.64 -0.41 -1.09 113.55 118.14 2juw h SER 33 Ca -0.04 -0.13 -0.08 0.00 -0.47 0.00 0.00 61.79 61.07 2juw h SER 33 Cb 1.22 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 63.19 2juw h SER 33 CO 0.12 0.40 -0.05 -0.07 -0.87 0.00 0.00 176.83 176.36 2juw h LEU 34 N 0.32 0.71 -0.01 5.97 3.38 -1.17 -0.20 115.31 124.31 2juw h LEU 34 Ca 0.10 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 2juw h LEU 34 Cb 0.13 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 2juw h LEU 34 CO -0.01 0.80 0.00 -0.03 0.09 0.00 0.00 178.44 179.30 2juw h MET 35 N 0.68 0.01 -0.31 1.13 4.05 -1.17 0.12 114.93 119.43 2juw h MET 35 Ca 0.13 -0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.53 2juw h MET 35 Cb 0.49 -0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.27 2juw h MET 35 CO 0.03 0.11 0.14 0.00 0.23 0.00 0.00 176.91 177.42 2juw h ALA 36 N 0.90 0.40 -0.38 0.39 0.00 -0.97 -2.11 119.26 117.49 2juw h ALA 36 Ca 0.00 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 2juw h ALA 36 Cb 0.10 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2juw h ALA 36 CO -0.00 -0.04 0.22 -0.07 0.00 0.00 0.00 179.25 179.36 2juw h LEU 37 N 0.36 0.47 -0.42 0.00 -0.00 -0.95 0.10 115.31 114.87 2juw h LEU 37 Ca 0.10 -0.07 0.01 0.00 -0.00 0.00 0.00 57.88 57.92 2juw h LEU 37 Cb 0.13 -0.12 -0.02 0.00 -0.00 0.00 0.00 40.66 40.65 2juw h LEU 37 CO -0.01 0.40 0.27 1.23 -0.00 0.00 0.00 178.44 180.32 2juw h GLY 38 N 0.49 0.58 2.00 0.83 0.00 -0.62 0.38 103.07 106.73 2juw h GLY 38 Ca 0.14 -0.21 -0.09 0.00 0.00 0.00 0.00 47.33 47.16 2juw h GLY 38 CO -0.02 0.20 -0.45 3.43 0.00 0.00 0.00 176.54 179.69 2juw h ASN 39 N 0.54 0.00 -0.18 0.19 2.35 -1.26 -1.96 115.58 115.27 2juw h ASN 39 Ca 0.16 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.84 2juw h ASN 39 Cb -0.04 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.32 2juw h ASN 39 CO -0.05 0.45 -0.14 0.00 -1.65 0.00 0.00 177.43 176.05 2juw h VAL 41 N 0.07 1.23 -0.70 0.00 2.07 -0.85 -1.76 116.25 116.31 2juw h VAL 41 Ca 0.03 -0.70 -0.06 0.00 0.82 0.00 0.00 66.70 66.80 2juw h VAL 41 Cb 0.65 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 2juw h VAL 41 CO 0.04 0.28 0.20 0.74 0.02 0.00 0.00 177.57 178.84 2juw h THR 42 N 0.86 1.26 -0.59 2.57 2.02 -1.31 -1.93 112.91 115.78 2juw h THR 42 Ca 0.21 -0.91 0.05 0.00 0.77 0.00 0.00 66.41 66.53 2juw h THR 42 Cb 0.18 0.51 -0.03 0.00 -1.74 0.00 0.00 68.15 67.06 2juw h THR 42 CO -0.02 0.35 0.39 -0.74 0.37 0.00 0.00 175.52 175.88 2juw h HIS 43 N 1.04 0.61 -0.11 3.16 2.76 -0.14 -1.84 115.15 120.63 2juw h HIS 43 Ca 0.22 0.02 -0.10 0.00 -2.20 0.00 0.00 60.37 58.31 2juw h HIS 43 Cb 0.32 -0.20 0.00 0.00 1.55 0.00 0.00 27.41 29.08 2juw h HIS 43 CO 0.02 0.34 -0.32 -0.07 -1.30 0.00 0.00 177.93 176.60 2juw h LEU 44 N 0.61 0.47 0.27 0.26 3.38 -0.70 -3.18 115.31 116.43 2juw h LEU 44 Ca 0.25 -0.59 -0.01 0.00 0.09 0.00 0.00 57.88 57.62 2juw h LEU 44 Cb 0.21 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2juw h LEU 44 CO -0.07 0.98 -0.18 -0.07 0.09 0.00 0.00 178.44 179.20 2juw h LEU 45 N -0.02 -0.44 -1.55 1.67 3.38 -0.78 0.26 115.31 117.84 2juw h LEU 45 Ca -0.01 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2juw h LEU 45 Cb 0.93 0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.82 2juw h LEU 45 CO 0.07 -0.28 -0.03 -0.08 0.09 0.00 0.00 178.44 178.21 2juw h GLU 46 N -0.44 0.00 0.00 1.13 4.57 -1.48 -2.60 114.58 115.76 2juw h GLU 46 Ca -0.03 0.00 -0.23 0.00 -1.18 0.00 0.00 59.36 57.93 2juw h GLU 46 Cb 0.37 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.92 2juw h GLU 46 CO 0.02 0.03 -1.67 0.54 -1.18 0.00 0.00 179.01 176.75 2juw n ARG 47 N -3.15 0.36 0.00 1.92 5.12 -1.12 -4.73 116.66 115.07 2juw n ARG 47 Ca 0.00 0.16 0.12 0.00 -1.93 0.00 0.00 57.85 56.19 2juw n ARG 47 Cb 0.30 -1.11 0.17 0.00 -1.16 0.00 0.00 32.46 30.66 2juw n ARG 47 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 2juw n LYS 48 N -3.85 0.40 -4.62 5.56 4.81 0.91 -4.85 118.16 116.53 2juw n LYS 48 Ca -0.29 -0.28 -0.33 0.00 -0.87 0.00 0.00 58.31 56.54 2juw n LYS 48 Cb 0.65 -1.49 -0.13 0.00 0.02 0.00 0.00 35.03 34.08 2juw n LYS 48 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2juw s VAL 49 N -2.79 3.50 0.45 3.15 1.01 -0.98 -5.01 120.40 119.74 2juw s VAL 49 Ca 0.15 -0.52 -0.23 0.00 0.00 0.00 0.00 61.98 61.39 2juw s VAL 49 Cb 0.18 -2.48 -0.10 0.00 0.00 0.00 0.00 36.38 33.98 2juw s VAL 49 CO 0.67 0.54 0.82 -2.65 0.00 0.00 0.00 175.10 174.48 2juw n PRO 50 N 3.10 0.98 -0.23 2.72 -0.02 -1.26 -4.69 135.00 135.60 2juw n PRO 50 Ca -0.18 0.36 0.02 0.00 -2.02 0.00 0.00 63.50 61.68 2juw n PRO 50 Cb 0.53 -1.85 0.14 0.00 -0.02 0.00 0.00 33.50 32.30 2juw n PRO 50 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 2juw h SER 51 N 1.09 0.25 0.82 2.55 0.02 -1.94 0.40 113.55 116.74 2juw h SER 51 Ca -0.44 0.09 -0.05 0.00 -0.84 0.00 0.00 61.79 60.56 2juw h SER 51 Cb 1.37 0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.97 2juw h SER 51 CO 0.54 0.12 -0.24 -0.33 -1.14 0.00 0.00 176.83 175.78 2juw h GLU 52 N 0.43 0.00 0.00 3.45 3.07 -2.01 -3.03 114.58 116.49 2juw h GLU 52 Ca 0.36 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.22 2juw h GLU 52 Cb 0.49 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.40 2juw h GLU 52 CO -0.36 0.24 -1.12 0.43 -1.40 0.00 0.00 179.01 176.81 2juw n SER 53 N -3.46 0.59 -0.33 1.42 7.64 0.00 -4.19 113.62 115.29 2juw n SER 53 Ca -0.00 -0.13 0.06 0.00 1.01 0.00 0.00 58.87 59.81 2juw n SER 53 Cb 0.42 0.87 0.25 0.00 -1.01 0.00 0.00 64.21 64.74 2juw n SER 53 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2juw h ARG 54 N 0.00 0.95 0.07 1.43 3.08 -1.07 0.46 114.38 119.30 2juw h ARG 54 Ca 0.00 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 2juw h ARG 54 Cb 0.79 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.62 2juw h ARG 54 CO 0.00 0.63 -0.03 1.96 -1.07 0.00 0.00 179.97 181.46 2juw h GLN 55 N 0.98 -0.09 -0.59 0.04 4.20 -1.76 -2.83 115.11 115.06 2juw h GLN 55 Ca 0.45 0.01 -0.00 0.00 0.06 0.00 0.00 58.65 59.16 2juw h GLN 55 Cb 0.39 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.16 2juw h GLN 55 CO -0.20 0.44 0.35 0.00 -0.67 0.00 0.00 178.83 178.75 2juw h ALA 56 N 0.14 0.75 -0.49 3.87 0.00 -1.57 0.24 119.26 122.21 2juw h ALA 56 Ca -0.01 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 2juw h ALA 56 Cb 0.57 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 2juw h ALA 56 CO 0.02 0.24 -0.11 0.28 0.00 0.00 0.00 179.25 179.68 2juw h VAL 57 N 0.80 1.26 -0.36 0.00 2.07 -0.24 0.12 116.25 119.89 2juw h VAL 57 Ca 0.21 -1.22 -0.14 0.00 0.82 0.00 0.00 66.70 66.37 2juw h VAL 57 Cb -0.01 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 2juw h VAL 57 CO -0.04 0.42 -0.32 0.00 0.02 0.00 0.00 177.57 177.66 2juw h ALA 58 N 1.07 0.75 -0.33 1.67 0.00 -1.18 0.39 119.26 121.62 2juw h ALA 58 Ca 0.13 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 2juw h ALA 58 Cb 0.63 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 2juw h ALA 58 CO 0.04 0.66 0.16 1.49 0.00 0.00 0.00 179.25 181.60 2juw h GLU 59 N 0.68 0.48 -0.40 0.00 4.22 -0.20 0.65 114.58 120.00 2juw h GLU 59 Ca 0.07 -0.07 -0.13 0.00 0.08 0.00 0.00 59.36 59.32 2juw h GLU 59 Cb 0.87 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.02 2juw h GLU 59 CO 0.08 0.44 -0.26 0.37 -2.18 0.00 0.00 179.01 177.45 2juw h GLN 60 N 0.40 0.83 -0.66 1.92 5.75 -0.65 -2.56 115.11 120.15 2juw h GLN 60 Ca 0.11 -0.36 0.00 0.00 -0.15 0.00 0.00 58.65 58.25 2juw h GLN 60 Cb 0.12 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 28.61 2juw h GLN 60 CO -0.01 1.00 0.43 0.35 -2.65 0.00 0.00 178.83 177.94 2juw h PHE 61 N 0.71 0.83 -0.87 3.99 3.57 0.08 0.19 116.94 125.45 2juw h PHE 61 Ca 0.09 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.62 2juw h PHE 61 Cb 0.80 -0.28 -0.05 0.00 2.79 0.00 0.00 35.95 39.22 2juw h PHE 61 CO 0.05 0.53 0.57 0.00 -2.23 0.00 0.00 178.31 177.23 2juw h ALA 62 N 1.23 1.12 0.11 2.41 0.00 -0.72 0.39 119.26 123.80 2juw h ALA 62 Ca 0.24 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 2juw h ALA 62 Cb -0.09 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.37 2juw h ALA 62 CO -0.05 0.47 -0.05 0.87 0.00 0.00 0.00 179.25 180.48 2juw h LYS 63 N 1.14 -0.15 -0.59 0.00 1.57 -0.95 -0.78 116.57 116.82 2juw h LYS 63 Ca 0.33 0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 59.10 2juw h LYS 63 Cb -0.08 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.24 2juw h LYS 63 CO -0.09 0.07 0.27 0.00 -0.57 0.00 0.00 179.45 179.14 2juw h ALA 64 N 0.51 0.76 0.13 3.86 0.00 -0.31 0.17 119.26 124.38 2juw h ALA 64 Ca -0.02 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 2juw h ALA 64 Cb 0.29 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2juw h ALA 64 CO 0.03 0.33 -0.06 1.25 0.00 0.00 0.00 179.25 180.79 2juw h LEU 65 N 0.80 -0.15 -0.44 0.00 5.85 -0.24 -0.71 115.31 120.42 2juw h LEU 65 Ca 0.20 -0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 2juw h LEU 65 Cb 0.14 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 2juw h LEU 65 CO -0.02 0.03 0.26 0.00 -0.34 0.00 0.00 178.44 178.37 2juw h ALA 66 N 0.51 0.56 -0.75 1.25 0.00 -1.00 -1.47 119.26 118.37 2juw h ALA 66 Ca -0.02 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 54.87 2juw h ALA 66 Cb 0.27 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 2juw h ALA 66 CO 0.03 0.05 0.46 0.37 0.00 0.00 0.00 179.25 180.16 2juw h GLN 67 N 0.58 0.84 -0.73 0.00 5.75 -0.58 0.22 115.11 121.19 2juw h GLN 67 Ca 0.16 -0.05 -0.02 0.00 -0.15 0.00 0.00 58.65 58.58 2juw h GLN 67 Cb 0.01 -0.19 -0.03 0.00 1.07 0.00 0.00 27.48 28.34 2juw h GLN 67 CO -0.03 0.56 0.37 0.77 -2.65 0.00 0.00 178.83 177.85 2juw h SER 68 N 0.87 0.95 -0.17 -0.69 0.02 -0.66 0.31 113.55 114.18 2juw h SER 68 Ca 0.32 -0.12 -0.21 0.00 -0.84 0.00 0.00 61.79 60.94 2juw h SER 68 Cb 0.10 -0.24 0.01 0.00 0.14 0.00 0.00 62.40 62.41 2juw h SER 68 CO -0.15 0.80 -0.70 0.58 -1.14 0.00 0.00 176.83 176.23 2juw h VAL 69 N 1.02 1.29 -0.08 2.27 2.07 -0.48 -0.49 116.25 121.85 2juw h VAL 69 Ca 0.25 -1.91 -0.12 0.00 0.82 0.00 0.00 66.70 65.75 2juw h VAL 69 Cb 0.09 1.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 2juw h VAL 69 CO -0.03 0.60 -0.50 0.11 0.02 0.00 0.00 177.57 177.77 2juw h LYS 70 N 0.50 0.20 -0.00 1.57 1.57 -0.46 -2.02 116.57 117.92 2juw h LYS 70 Ca -0.04 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 2juw h LYS 70 Cb 1.33 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.64 2juw h LYS 70 CO 0.15 0.66 -0.20 0.43 -0.57 0.00 0.00 179.45 179.91 2juw n SER 71 N -3.95 0.49 0.12 0.86 7.64 0.09 -3.82 113.62 115.06 2juw n SER 71 Ca -0.02 -0.39 -0.02 0.00 1.01 0.00 0.00 58.87 59.45 2juw n SER 71 Cb 0.54 -0.03 0.17 0.00 -1.01 0.00 0.00 64.21 63.87 2juw n SER 71 CO 0.00 0.00 0.00 -1.13 -3.01 0.00 0.00 175.04 170.90 2juw h ASN 72 N 0.46 0.08 0.32 6.43 -0.73 -0.30 -2.88 115.58 118.95 2juw h ASN 72 Ca 0.00 -0.04 -0.30 0.00 1.87 0.00 0.00 56.30 57.83 2juw h ASN 72 Cb 0.43 -0.02 0.02 0.00 0.27 0.00 0.00 38.32 39.03 2juw h ASN 72 CO 0.00 0.66 -1.29 -0.07 -0.37 0.00 0.00 177.43 176.35 2juw h LEU 73 N 0.05 0.73 0.00 0.34 4.07 -1.66 -3.47 115.31 115.37 2juw h LEU 73 Ca -0.01 -0.72 0.00 0.00 0.08 0.00 0.00 57.88 57.23 2juw h LEU 73 Cb 1.07 -0.23 0.00 0.00 1.08 0.00 0.00 40.66 42.58 2juw h LEU 73 CO 0.08 1.55 0.00 1.21 -1.08 0.00 0.00 178.44 180.20 2juw n GLU 74 N -3.70 0.00 -2.22 1.13 0.00 -1.09 -4.82 120.64 109.93 2juw n GLU 74 Ca -0.13 0.00 -0.32 0.00 0.00 0.00 0.00 57.16 56.71 2juw n GLU 74 Cb 1.02 -0.10 -0.04 0.00 0.00 0.00 0.00 31.44 32.32 2juw n GLU 74 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.13 176.12 2juw s HIS 75 N 0.00 2.17 -0.04 4.31 3.76 -1.26 -4.84 115.29 119.39 2juw s HIS 75 Ca 0.00 -0.10 -0.01 0.00 -0.15 0.00 0.00 55.06 54.80 2juw s HIS 75 Cb 0.00 -4.24 0.03 0.00 1.11 0.00 0.00 32.58 29.48 2juw s HIS 75 CO 0.00 -1.49 0.05 -1.58 -0.85 0.00 0.00 174.74 170.86 2juw s HIS 76 N 8.80 0.14 -1.08 1.40 5.04 -1.26 -5.08 115.29 123.24 2juw s HIS 76 Ca 0.63 0.18 -0.23 0.00 -1.54 0.00 0.00 55.06 54.10 2juw s HIS 76 Cb -0.01 -0.47 -0.03 0.00 0.04 0.00 0.00 32.58 32.11 2juw s HIS 76 CO 0.08 -0.19 1.85 -1.58 -2.34 0.00 0.00 174.74 172.56 2juw s HIS 77 N 1.90 2.09 0.32 3.88 2.46 -1.26 -4.75 115.29 119.93 2juw s HIS 77 Ca 0.02 0.06 0.00 0.00 0.47 0.00 0.00 55.06 55.61 2juw s HIS 77 Cb -0.12 -4.21 0.00 0.00 -0.13 0.00 0.00 32.58 28.12 2juw s HIS 77 CO -0.03 -1.57 0.00 0.72 -2.47 0.00 0.00 174.74 171.39 2juw n HIS 78 N 12.71 -2.70 -1.74 3.88 8.25 -1.26 -4.32 115.22 130.03 2juw n HIS 78 Ca 0.42 1.40 -0.41 0.00 -0.26 0.00 0.00 57.72 58.87 2juw n HIS 78 Cb 0.47 -2.46 -0.02 0.00 1.12 0.00 0.00 29.99 29.10 2juw n HIS 78 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2juw n HIS 79 N -3.67 3.17 0.84 4.41 1.44 -1.26 -5.20 115.22 114.95 2juw n HIS 79 Ca -0.02 -2.47 0.10 0.00 -2.01 0.00 0.00 57.72 53.33 2juw n HIS 79 Cb 0.49 -2.33 0.08 0.00 0.12 0.00 0.00 29.99 28.35 2juw n HIS 79 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11