#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 2.31 -0.02 3.04 0.00 -1.26 -5.05 121.76 120.78 2juw s ALA 2 Ca 0.00 -0.95 -0.01 0.00 0.00 0.00 0.00 51.96 51.00 2juw s ALA 2 Cb 0.00 -0.92 -0.00 0.00 0.00 0.00 0.00 23.12 22.19 2juw s ALA 2 CO 0.00 0.29 -0.02 0.82 0.00 0.00 0.00 175.76 176.85 2juw h ILE 3 N 5.54 0.00 -0.01 0.00 2.04 -2.04 -3.42 117.51 119.62 2juw h ILE 3 Ca -0.22 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.48 2juw h ILE 3 Cb 1.23 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.31 2juw h ILE 3 CO 0.50 0.00 -0.24 1.67 0.00 0.00 0.00 178.15 180.07 2juw n GLN 4 N -2.60 1.59 -2.37 2.37 7.27 -1.26 -4.85 117.38 117.52 2juw n GLN 4 Ca -0.01 -1.02 -0.36 0.00 0.07 0.00 0.00 57.00 55.68 2juw n GLN 4 Cb 0.04 -1.30 -0.03 0.00 2.41 0.00 0.00 30.24 31.36 2juw n GLN 4 CO 0.00 0.00 0.00 -1.12 0.07 0.00 0.00 177.06 176.01 2juw s SER 5 N -1.79 6.06 0.19 1.69 0.01 -1.26 -4.73 113.70 113.87 2juw s SER 5 Ca 0.15 -1.66 -0.01 0.00 1.31 0.00 0.00 55.95 55.74 2juw s SER 5 Cb 0.14 -2.58 0.09 0.00 0.21 0.00 0.00 66.02 63.88 2juw s SER 5 CO 0.36 -1.94 1.46 0.11 0.41 0.00 0.00 173.24 173.63 2juw h LYS 6 N 9.36 0.39 -4.90 12.44 1.57 -1.94 -3.46 116.57 130.03 2juw h LYS 6 Ca 0.26 -0.31 -0.31 0.00 -1.87 0.00 0.00 60.65 58.43 2juw h LYS 6 Cb 0.95 0.06 -0.15 0.00 0.08 0.00 0.00 32.23 33.17 2juw h LYS 6 CO 1.36 0.94 -0.68 0.71 -0.57 0.00 0.00 179.45 181.21 2juw s TYR 7 N -3.67 1.27 0.22 -1.35 2.02 -1.26 -5.15 117.35 109.43 2juw s TYR 7 Ca -0.06 -0.93 -0.17 0.00 -0.37 0.00 0.00 57.07 55.54 2juw s TYR 7 Cb 0.11 -0.71 -0.08 0.00 -0.40 0.00 0.00 41.96 40.88 2juw s TYR 7 CO 0.83 -0.11 0.66 -1.54 -1.57 0.00 0.00 175.55 173.83 2juw s SER 8 N -3.19 6.91 0.45 2.29 1.04 -1.26 -4.97 113.70 114.98 2juw s SER 8 Ca 0.22 1.26 0.12 0.00 0.48 0.00 0.00 55.95 58.03 2juw s SER 8 Cb 0.05 -2.36 1.02 0.00 0.10 0.00 0.00 66.02 64.83 2juw s SER 8 CO 0.03 0.00 2.07 0.78 0.98 0.00 0.00 173.24 177.10 2juw h ASN 9 N 3.19 0.20 -0.53 7.02 2.35 -2.01 -1.61 115.58 124.20 2juw h ASN 9 Ca -0.48 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.26 2juw h ASN 9 Cb 1.19 -0.05 -0.03 0.00 0.05 0.00 0.00 38.32 39.48 2juw h ASN 9 CO 0.66 0.20 0.33 0.74 -1.65 0.00 0.00 177.43 177.71 2juw h THR 10 N 0.23 1.15 -0.32 2.81 2.02 -1.99 -1.39 112.91 115.42 2juw h THR 10 Ca 0.06 -0.32 -0.05 0.00 0.77 0.00 0.00 66.41 66.87 2juw h THR 10 Cb 0.07 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 66.88 2juw h THR 10 CO -0.01 0.15 0.01 -0.61 0.37 0.00 0.00 175.52 175.44 2juw h GLN 11 N 0.71 0.55 -0.24 6.66 5.75 -1.71 0.12 115.11 126.94 2juw h GLN 11 Ca 0.19 -0.17 0.02 0.00 -0.15 0.00 0.00 58.65 58.54 2juw h GLN 11 Cb -0.04 -0.05 -0.03 0.00 1.07 0.00 0.00 27.48 28.43 2juw h GLN 11 CO -0.04 0.68 0.09 0.28 -2.65 0.00 0.00 178.83 177.19 2juw h VAL 12 N 0.36 0.94 -0.35 2.39 2.07 -1.23 0.26 116.25 120.69 2juw h VAL 12 Ca 0.09 -0.07 -0.14 0.00 0.82 0.00 0.00 66.70 67.40 2juw h VAL 12 Cb 0.42 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 2juw h VAL 12 CO 0.01 0.04 -0.35 -0.08 0.02 0.00 0.00 177.57 177.21 2juw h GLU 13 N 0.20 0.79 -0.52 1.57 4.81 -1.19 -2.12 114.58 118.12 2juw h GLU 13 Ca 0.11 -0.38 -0.02 0.00 -0.13 0.00 0.00 59.36 58.93 2juw h GLU 13 Cb 0.07 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 2juw h GLU 13 CO -0.11 1.01 0.26 1.03 -0.73 0.00 0.00 179.01 180.48 2juw h SER 14 N 0.66 0.68 -0.24 1.04 0.87 -0.33 0.15 113.55 116.37 2juw h SER 14 Ca 0.07 -0.12 -0.00 0.00 -1.23 0.00 0.00 61.79 60.51 2juw h SER 14 Cb 0.89 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.67 2juw h SER 14 CO 0.08 0.61 0.15 0.25 -0.53 0.00 0.00 176.83 177.38 2juw h LEU 15 N 0.70 0.29 -0.64 2.23 6.46 -0.36 0.25 115.31 124.24 2juw h LEU 15 Ca 0.18 -0.04 0.02 0.00 -0.12 0.00 0.00 57.88 57.92 2juw h LEU 15 Cb 0.10 -0.07 -0.04 0.00 -0.73 0.00 0.00 40.66 39.92 2juw h LEU 15 CO -0.02 0.24 0.41 0.40 -0.62 0.00 0.00 178.44 178.85 2juw h ILE 16 N 0.30 1.11 -1.01 4.05 2.04 -1.16 -2.37 117.51 120.47 2juw h ILE 16 Ca 0.09 -0.28 0.03 0.00 1.00 0.00 0.00 64.86 65.70 2juw h ILE 16 Cb 0.01 0.23 -0.06 0.00 -0.74 0.00 0.00 36.82 36.26 2juw h ILE 16 CO -0.02 0.15 0.66 0.00 0.00 0.00 0.00 178.15 178.95 2juw h ALA 17 N 1.26 1.32 -0.30 1.87 0.00 -0.06 -0.42 119.26 122.93 2juw h ALA 17 Ca 0.25 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.13 2juw h ALA 17 Cb -0.02 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 17.36 2juw h ALA 17 CO -0.08 0.60 0.11 0.93 0.00 0.00 0.00 179.25 180.81 2juw h GLU 18 N 1.31 0.24 -0.51 0.00 5.08 -0.46 0.15 114.58 120.40 2juw h GLU 18 Ca 0.39 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.67 2juw h GLU 18 Cb -0.06 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 2juw h GLU 18 CO -0.11 0.16 0.05 0.82 -1.00 0.00 0.00 179.01 178.93 2juw h ILE 19 N 0.24 1.24 -0.42 3.13 2.04 -1.09 -2.35 117.51 120.30 2juw h ILE 19 Ca 0.13 -0.92 -0.09 0.00 1.00 0.00 0.00 64.86 64.98 2juw h ILE 19 Cb 0.09 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 36.94 2juw h ILE 19 CO -0.13 0.33 -0.09 -0.07 0.00 0.00 0.00 178.15 178.19 2juw h LEU 20 N 0.77 0.72 -0.61 1.44 3.38 -0.38 -2.22 115.31 118.41 2juw h LEU 20 Ca 0.16 -0.20 0.02 0.00 0.09 0.00 0.00 57.88 57.94 2juw h LEU 20 Cb 0.39 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 2juw h LEU 20 CO 0.01 0.85 0.39 0.58 0.09 0.00 0.00 178.44 180.36 2juw h VAL 21 N 0.67 1.10 -0.40 1.22 2.07 -0.20 -0.70 116.25 120.02 2juw h VAL 21 Ca 0.12 -0.26 -0.05 0.00 0.82 0.00 0.00 66.70 67.33 2juw h VAL 21 Cb 0.55 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 2juw h VAL 21 CO 0.03 0.14 0.04 0.58 0.02 0.00 0.00 177.57 178.38 2juw h VAL 22 N 0.77 1.20 -0.68 2.57 2.07 -1.13 0.18 116.25 121.23 2juw h VAL 22 Ca 0.24 -0.78 -0.05 0.00 0.82 0.00 0.00 66.70 66.93 2juw h VAL 22 Cb -0.02 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 2juw h VAL 22 CO -0.09 0.27 0.23 -0.07 0.02 0.00 0.00 177.57 177.94 2juw h LEU 23 N 0.59 0.98 -1.04 2.57 3.38 -0.77 -2.29 115.31 118.73 2juw h LEU 23 Ca 0.13 -0.20 -0.08 0.00 0.09 0.00 0.00 57.88 57.82 2juw h LEU 23 Cb 0.31 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2juw h LEU 23 CO 0.01 0.91 -0.20 -0.33 0.09 0.00 0.00 178.44 178.92 2juw h GLU 24 N 0.99 0.46 -0.71 1.13 4.39 -0.35 0.29 114.58 120.78 2juw h GLU 24 Ca 0.22 -0.15 0.04 0.00 0.34 0.00 0.00 59.36 59.81 2juw h GLU 24 Cb 0.27 -0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 28.84 2juw h GLU 24 CO -0.01 0.64 0.44 0.87 -1.16 0.00 0.00 179.01 179.78 2juw h LYS 25 N 0.41 0.81 0.00 2.33 1.79 -0.10 -2.91 116.57 118.90 2juw h LYS 25 Ca 0.07 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 2juw h LYS 25 Cb 0.58 -0.18 0.00 0.00 -1.58 0.00 0.00 32.23 31.05 2juw h LYS 25 CO 0.04 0.54 -1.41 0.72 -1.08 0.00 0.00 179.45 178.26 2juw n HIS 26 N -4.68 0.01 -3.15 -1.35 8.25 -1.02 -5.02 115.22 108.26 2juw n HIS 26 Ca 0.08 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.49 2juw n HIS 26 Cb 0.11 -0.22 0.00 0.00 1.12 0.00 0.00 29.99 31.01 2juw n HIS 26 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2juw n LYS 27 N -1.82 -1.51 -3.01 -0.41 4.76 0.98 -4.97 118.16 112.18 2juw n LYS 27 Ca 0.01 1.48 -0.41 0.00 -2.87 0.00 0.00 58.31 56.52 2juw n LYS 27 Cb 0.43 -5.17 -0.05 0.00 -1.84 0.00 0.00 35.03 28.40 2juw n LYS 27 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2juw s ALA 28 N -2.91 3.51 1.18 7.82 0.00 -1.02 -5.04 121.76 125.30 2juw s ALA 28 Ca 0.04 -0.10 -0.14 0.00 0.00 0.00 0.00 51.96 51.77 2juw s ALA 28 Cb -0.01 -3.08 0.29 0.00 0.00 0.00 0.00 23.12 20.31 2juw s ALA 28 CO 0.78 -0.56 1.03 -1.25 0.00 0.00 0.00 175.76 175.76 2juw s PRO 29 N 1.91 -1.03 0.24 0.00 0.04 -1.26 -4.55 135.00 130.35 2juw s PRO 29 Ca 0.34 0.64 -0.05 0.00 0.04 0.00 0.00 61.00 61.96 2juw s PRO 29 Cb -0.16 -1.56 0.39 0.00 0.04 0.00 0.00 34.50 33.21 2juw s PRO 29 CO 0.12 -3.75 1.77 1.15 0.04 0.00 0.00 177.00 176.33 2juw h THR 30 N -2.63 0.81 0.12 1.26 2.02 -1.98 0.15 112.91 112.65 2juw h THR 30 Ca -0.59 -0.21 -0.01 0.00 0.77 0.00 0.00 66.41 66.38 2juw h THR 30 Cb 1.34 0.16 0.00 0.00 -1.74 0.00 0.00 68.15 67.90 2juw h THR 30 CO 0.49 0.11 -0.06 0.44 0.37 0.00 0.00 175.52 176.88 2juw h ASP 31 N 0.60 -0.13 -0.46 4.18 3.32 -2.00 -1.33 116.42 120.60 2juw h ASP 31 Ca 0.38 -0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.32 2juw h ASP 31 Cb 0.44 0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.01 2juw h ASP 31 CO -0.30 -0.09 -0.10 0.25 -1.72 0.00 0.00 179.24 177.28 2juw h LEU 32 N -0.16 0.92 -0.38 1.55 5.85 -1.70 -2.32 115.31 119.07 2juw h LEU 32 Ca -0.02 -0.29 -0.02 0.00 0.84 0.00 0.00 57.88 58.39 2juw h LEU 32 Cb 0.12 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 2juw h LEU 32 CO 0.03 1.04 0.16 0.28 -0.34 0.00 0.00 178.44 179.61 2juw h SER 33 N 0.83 0.52 -0.85 1.25 0.02 -0.59 0.11 113.55 114.84 2juw h SER 33 Ca 0.13 -0.16 -0.00 0.00 -0.84 0.00 0.00 61.79 60.92 2juw h SER 33 Cb 0.63 -0.14 -0.04 0.00 0.14 0.00 0.00 62.40 63.00 2juw h SER 33 CO 0.04 0.54 0.52 -0.07 -1.14 0.00 0.00 176.83 176.72 2juw h LEU 34 N 0.48 1.02 -0.18 5.07 3.38 -1.06 0.13 115.31 124.16 2juw h LEU 34 Ca 0.13 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 2juw h LEU 34 Cb 0.17 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 2juw h LEU 34 CO -0.01 0.78 -0.16 0.24 0.09 0.00 0.00 178.44 179.39 2juw h MET 35 N 1.17 0.42 -0.21 1.13 2.86 -1.17 -1.17 114.93 117.97 2juw h MET 35 Ca 0.31 -0.21 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 2juw h MET 35 Cb -0.05 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.60 2juw h MET 35 CO -0.06 0.77 0.13 0.00 1.06 0.00 0.00 176.91 178.82 2juw h ALA 36 N 0.64 0.26 0.00 6.32 0.00 -0.52 0.22 119.26 126.19 2juw h ALA 36 Ca 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2juw h ALA 36 Cb 0.68 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 2juw h ALA 36 CO 0.04 -0.25 -0.02 -0.07 0.00 0.00 0.00 179.25 178.96 2juw h LEU 37 N 0.27 -0.05 -0.46 0.00 -0.00 -1.01 -1.40 115.31 112.67 2juw h LEU 37 Ca 0.08 0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.97 2juw h LEU 37 Cb -0.01 0.02 -0.02 0.00 -0.00 0.00 0.00 40.66 40.64 2juw h LEU 37 CO -0.02 -0.03 0.30 1.23 -0.00 0.00 0.00 178.44 179.93 2juw h GLY 38 N -0.03 0.64 1.54 0.83 0.00 -0.91 -1.32 103.07 103.83 2juw h GLY 38 Ca 0.01 -0.24 -0.06 0.00 0.00 0.00 0.00 47.33 47.04 2juw h GLY 38 CO -0.02 0.23 -0.02 3.43 0.00 0.00 0.00 176.54 180.17 2juw h ASN 39 N 0.62 0.53 -0.04 0.19 -0.26 -0.46 -1.47 115.58 114.70 2juw h ASN 39 Ca 0.17 -0.11 -0.11 0.00 -0.56 0.00 0.00 56.30 55.69 2juw h ASN 39 Cb -0.07 -0.14 -0.01 0.00 -1.06 0.00 0.00 38.32 37.04 2juw h ASN 39 CO -0.04 0.62 -0.31 0.00 -1.06 0.00 0.00 177.43 176.64 2juw h VAL 41 N 0.44 1.16 -0.69 0.00 2.07 -0.48 -1.06 116.25 117.69 2juw h VAL 41 Ca 0.05 -0.49 -0.05 0.00 0.82 0.00 0.00 66.70 67.04 2juw h VAL 41 Cb 0.77 1.31 -0.03 0.00 -1.52 0.00 0.00 31.29 31.82 2juw h VAL 41 CO 0.06 0.14 0.23 0.74 0.02 0.00 0.00 177.57 178.76 2juw h THR 42 N -0.02 1.25 -0.39 2.57 2.02 -1.16 -2.59 112.91 114.58 2juw h THR 42 Ca 0.03 -0.84 0.08 0.00 0.77 0.00 0.00 66.41 66.45 2juw h THR 42 Cb 0.19 0.47 -0.09 0.00 -1.74 0.00 0.00 68.15 66.99 2juw h THR 42 CO -0.00 0.33 -0.31 -0.74 0.37 0.00 0.00 175.52 175.17 2juw h HIS 43 N 1.02 -0.86 0.00 3.16 6.17 0.07 -0.47 115.15 124.25 2juw h HIS 43 Ca 0.23 0.06 -0.08 0.00 0.71 0.00 0.00 60.37 61.28 2juw h HIS 43 Cb 0.27 0.43 -0.01 0.00 2.52 0.00 0.00 27.41 30.62 2juw h HIS 43 CO 0.02 -0.37 -0.39 -0.07 0.71 0.00 0.00 177.93 177.83 2juw h LEU 44 N -0.24 0.00 -0.33 0.26 3.38 -0.97 -0.05 115.31 117.35 2juw h LEU 44 Ca 0.17 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.10 2juw h LEU 44 Cb 0.53 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 2juw h LEU 44 CO -0.53 0.39 0.01 -0.07 0.09 0.00 0.00 178.44 178.34 2juw h LEU 45 N 0.00 0.55 0.00 1.67 3.38 -1.03 0.24 115.31 120.12 2juw h LEU 45 Ca -0.00 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.67 2juw h LEU 45 Cb 0.94 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.55 2juw h LEU 45 CO 0.05 0.71 0.00 1.21 0.09 0.00 0.00 178.44 180.50 2juw n GLU 46 N -4.55 0.15 -0.08 1.13 0.00 -0.24 -2.59 120.64 114.46 2juw n GLU 46 Ca -0.02 0.01 -0.16 0.00 0.00 0.00 0.00 57.16 56.99 2juw n GLU 46 Cb 0.25 -1.50 -0.05 0.00 0.00 0.00 0.00 31.44 30.14 2juw n GLU 46 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 2juw n ARG 47 N -1.42 0.35 -0.14 5.31 3.00 -0.09 -4.79 116.66 118.89 2juw n ARG 47 Ca 0.09 0.15 0.05 0.00 -0.00 0.00 0.00 57.85 58.14 2juw n ARG 47 Cb 0.30 -1.10 0.11 0.00 0.00 0.00 0.00 32.46 31.77 2juw n ARG 47 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 2juw n LYS 48 N -3.83 2.67 -4.97 -0.14 5.02 0.83 -4.96 118.16 112.78 2juw n LYS 48 Ca -0.29 -2.06 -0.29 0.00 -2.02 0.00 0.00 58.31 53.66 2juw n LYS 48 Cb 0.65 -1.30 -0.17 0.00 -0.02 0.00 0.00 35.03 34.20 2juw n LYS 48 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2juw s VAL 49 N -1.58 1.68 0.45 -0.18 1.01 -1.07 -4.99 120.40 115.72 2juw s VAL 49 Ca 0.19 -0.81 -0.23 0.00 0.00 0.00 0.00 61.98 61.13 2juw s VAL 49 Cb 0.14 -1.46 -0.11 0.00 0.00 0.00 0.00 36.38 34.95 2juw s VAL 49 CO 0.07 0.47 0.82 -0.81 0.00 0.00 0.00 175.10 175.65 2juw n PRO 50 N 3.47 0.98 0.04 2.72 -0.04 -1.26 -4.67 135.00 136.24 2juw n PRO 50 Ca -0.20 0.36 -0.12 0.00 -0.04 0.00 0.00 63.50 63.49 2juw n PRO 50 Cb 0.52 -1.85 -0.06 0.00 -0.04 0.00 0.00 33.50 32.08 2juw n PRO 50 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2juw h SER 51 N 1.10 -1.20 1.09 3.54 0.02 -1.98 0.71 113.55 116.83 2juw h SER 51 Ca -0.43 0.15 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 2juw h SER 51 Cb 1.37 0.48 0.00 0.00 0.14 0.00 0.00 62.40 64.39 2juw h SER 51 CO 0.54 -0.43 0.00 -0.62 -1.14 0.00 0.00 176.83 175.18 2juw n GLU 52 N -5.44 0.20 0.09 3.45 1.02 -1.26 -2.17 120.64 116.53 2juw n GLU 52 Ca -0.05 0.27 0.04 0.00 -0.02 0.00 0.00 57.16 57.40 2juw n GLU 52 Cb 0.36 -1.78 -0.02 0.00 -0.02 0.00 0.00 31.44 29.98 2juw n GLU 52 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2juw h SER 53 N 0.00 0.00 -0.43 1.62 0.87 -1.49 -3.33 113.55 110.79 2juw h SER 53 Ca 0.00 0.00 0.07 0.00 -1.23 0.00 0.00 61.79 60.63 2juw h SER 53 Cb 0.55 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.44 2juw h SER 53 CO 0.00 0.40 0.05 0.03 -0.53 0.00 0.00 176.83 176.79 2juw h ARG 54 N 0.00 0.17 -0.49 2.24 3.08 -0.42 0.28 114.38 119.24 2juw h ARG 54 Ca -0.07 -0.01 -0.10 0.00 0.07 0.00 0.00 59.98 59.87 2juw h ARG 54 Cb 1.37 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 31.37 2juw h ARG 54 CO 0.04 0.11 -0.09 0.37 -1.07 0.00 0.00 179.97 179.33 2juw h GLN 55 N 0.18 0.89 0.19 0.04 -0.00 -1.69 0.15 115.11 114.87 2juw h GLN 55 Ca 0.21 -0.30 -0.01 0.00 -0.00 0.00 0.00 58.65 58.55 2juw h GLN 55 Cb 0.28 -0.07 0.00 0.00 0.00 0.00 0.00 27.48 27.69 2juw h GLN 55 CO -0.31 0.94 -0.09 0.00 0.00 0.00 0.00 178.83 179.37 2juw h ALA 56 N 1.09 -0.26 -0.67 3.38 0.00 -1.38 0.47 119.26 121.89 2juw h ALA 56 Ca 0.13 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 2juw h ALA 56 Cb 0.61 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 2juw h ALA 56 CO 0.04 -0.59 0.21 0.28 0.00 0.00 0.00 179.25 179.19 2juw h VAL 57 N -0.38 1.25 -0.35 0.00 2.07 -0.41 -0.42 116.25 118.01 2juw h VAL 57 Ca -0.03 -0.85 0.03 0.00 0.82 0.00 0.00 66.70 66.67 2juw h VAL 57 Cb 0.29 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 2juw h VAL 57 CO 0.04 0.33 0.17 0.00 0.02 0.00 0.00 177.57 178.13 2juw h ALA 58 N 1.24 0.43 -0.02 1.67 0.00 -0.46 0.40 119.26 122.52 2juw h ALA 58 Ca 0.22 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 2juw h ALA 58 Cb 0.28 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 2juw h ALA 58 CO -0.01 -0.21 0.01 0.93 0.00 0.00 0.00 179.25 179.98 2juw h GLU 59 N 0.35 0.03 0.18 0.00 4.39 -0.51 -0.15 114.58 118.87 2juw h GLU 59 Ca 0.15 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.85 2juw h GLU 59 Cb 0.07 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 2juw h GLU 59 CO -0.11 0.07 -0.15 1.96 -1.16 0.00 0.00 179.01 179.61 2juw h GLN 60 N -0.01 -0.33 -0.48 2.33 4.20 -0.69 -1.35 115.11 118.78 2juw h GLN 60 Ca 0.01 0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.73 2juw h GLN 60 Cb 0.04 0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.88 2juw h GLN 60 CO -0.00 -0.22 0.27 0.35 -0.67 0.00 0.00 178.83 178.56 2juw h PHE 61 N -0.35 0.65 -0.65 2.96 3.57 -0.17 0.19 116.94 123.15 2juw h PHE 61 Ca -0.00 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.48 2juw h PHE 61 Cb 0.32 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 38.81 2juw h PHE 61 CO -0.12 0.48 0.40 0.00 -2.23 0.00 0.00 178.31 176.84 2juw h ALA 62 N 1.11 0.83 -0.05 2.41 0.00 -0.87 0.37 119.26 123.07 2juw h ALA 62 Ca 0.17 -0.07 -0.20 0.00 0.00 0.00 0.00 54.91 54.81 2juw h ALA 62 Cb 0.04 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 2juw h ALA 62 CO -0.03 0.29 -0.80 0.87 0.00 0.00 0.00 179.25 179.58 2juw h LYS 63 N 0.88 0.40 -0.47 0.00 1.57 -0.96 -0.95 116.57 117.04 2juw h LYS 63 Ca 0.23 -0.36 -0.14 0.00 -1.87 0.00 0.00 60.65 58.51 2juw h LYS 63 Cb -0.05 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 2juw h LYS 63 CO -0.05 1.02 -0.24 0.00 -0.57 0.00 0.00 179.45 179.61 2juw h ALA 64 N 0.87 0.66 -0.06 3.86 0.00 -0.27 0.36 119.26 124.68 2juw h ALA 64 Ca -0.05 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 2juw h ALA 64 Cb 1.40 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 2juw h ALA 64 CO 0.14 0.67 0.02 1.25 0.00 0.00 0.00 179.25 181.33 2juw h LEU 65 N 0.84 0.08 -0.90 0.00 5.85 -0.21 -0.58 115.31 120.39 2juw h LEU 65 Ca 0.10 -0.17 -0.04 0.00 0.84 0.00 0.00 57.88 58.62 2juw h LEU 65 Cb 0.83 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.80 2juw h LEU 65 CO 0.07 0.23 0.35 0.00 -0.34 0.00 0.00 178.44 178.75 2juw h ALA 66 N 0.86 1.13 -0.33 1.25 0.00 -1.08 -2.33 119.26 118.76 2juw h ALA 66 Ca 0.02 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 2juw h ALA 66 Cb 0.17 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2juw h ALA 66 CO -0.00 0.64 -0.08 0.37 0.00 0.00 0.00 179.25 180.18 2juw h GLN 67 N 1.13 0.56 -0.38 0.00 5.75 -0.09 0.51 115.11 122.59 2juw h GLN 67 Ca 0.27 -0.15 -0.06 0.00 -0.15 0.00 0.00 58.65 58.56 2juw h GLN 67 Cb 0.15 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 28.62 2juw h GLN 67 CO -0.03 0.64 -0.03 0.77 -2.65 0.00 0.00 178.83 177.54 2juw h SER 68 N 0.52 0.58 0.06 -0.69 0.02 -0.59 0.43 113.55 113.88 2juw h SER 68 Ca 0.10 -0.13 -0.23 0.00 -0.84 0.00 0.00 61.79 60.69 2juw h SER 68 Cb 0.46 -0.15 0.02 0.00 0.14 0.00 0.00 62.40 62.86 2juw h SER 68 CO 0.02 0.67 -0.93 0.58 -1.14 0.00 0.00 176.83 176.03 2juw h VAL 69 N 0.58 1.36 -0.49 2.27 2.07 -0.90 -2.60 116.25 118.54 2juw h VAL 69 Ca 0.12 -2.29 -0.06 0.00 0.82 0.00 0.00 66.70 65.28 2juw h VAL 69 Cb 0.41 2.66 -0.02 0.00 -1.52 0.00 0.00 31.29 32.82 2juw h VAL 69 CO 0.02 0.68 0.06 0.50 0.02 0.00 0.00 177.57 178.85 2juw h LYS 70 N 0.09 0.82 -0.00 1.57 3.64 0.27 -2.01 116.57 120.95 2juw h LYS 70 Ca -0.13 -0.23 0.00 0.00 -1.27 0.00 0.00 60.65 59.02 2juw h LYS 70 Cb 1.63 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.36 2juw h LYS 70 CO 0.18 0.83 -0.02 0.43 -2.27 0.00 0.00 179.45 178.61 2juw n SER 71 N -4.40 0.08 0.00 4.20 7.64 0.15 0.35 113.62 121.64 2juw n SER 71 Ca 0.01 -0.39 -0.14 0.00 1.01 0.00 0.00 58.87 59.36 2juw n SER 71 Cb 0.27 -0.19 -0.03 0.00 -1.01 0.00 0.00 64.21 63.24 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 0.10 0.77 0.00 6.43 -0.00 -0.95 -3.37 115.58 118.56 2juw h ASN 72 Ca 0.00 -0.50 -0.10 0.00 -0.00 0.00 0.00 56.30 55.71 2juw h ASN 72 Cb 0.24 -0.23 -0.01 0.00 -0.00 0.00 0.00 38.32 38.32 2juw h ASN 72 CO 0.00 1.27 -1.04 0.18 -0.00 0.00 0.00 177.43 177.85 2juw n LEU 73 N -3.90 1.87 -3.88 0.34 4.77 -1.11 -5.02 117.00 110.07 2juw n LEU 73 Ca -0.06 0.47 -0.30 0.00 -0.03 0.00 0.00 56.01 56.09 2juw n LEU 73 Cb 0.73 -0.84 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 2juw n LEU 73 CO 0.51 -0.16 -0.18 1.21 -1.33 0.00 0.00 177.39 177.44 2juw n GLU 74 N -4.49 -2.17 -1.69 3.23 0.00 0.15 -4.86 120.64 110.82 2juw n GLU 74 Ca -0.19 0.38 -0.44 0.00 0.00 0.00 0.00 57.16 56.90 2juw n GLU 74 Cb 0.49 -4.15 -0.04 0.00 0.00 0.00 0.00 31.44 27.75 2juw n GLU 74 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.13 174.74 2juw n HIS 75 N -4.40 2.51 -1.59 4.31 1.44 -1.26 -4.83 115.22 111.40 2juw n HIS 75 Ca -0.21 -0.04 -0.54 0.00 -2.01 0.00 0.00 57.72 54.91 2juw n HIS 75 Cb 0.64 -2.68 -0.07 0.00 0.12 0.00 0.00 29.99 28.00 2juw n HIS 75 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14 2juw n HIS 76 N 5.32 1.40 0.13 -1.40 1.44 -1.26 -4.87 115.22 115.97 2juw n HIS 76 Ca 0.19 0.73 -0.08 0.00 -2.01 0.00 0.00 57.72 56.54 2juw n HIS 76 Cb 0.34 -2.29 -0.04 0.00 0.12 0.00 0.00 29.99 28.12 2juw n HIS 76 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 2juw h HIS 77 N 4.53 -0.60 0.00 -1.40 3.86 -2.03 -3.43 115.15 116.07 2juw h HIS 77 Ca -0.48 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.73 2juw h HIS 77 Cb 1.35 0.23 0.00 0.00 1.06 0.00 0.00 27.41 30.06 2juw h HIS 77 CO 0.61 -0.29 0.00 1.58 0.86 0.00 0.00 177.93 180.69 2juw n HIS 78 N -3.65 0.00 -3.11 2.45 -0.00 -1.26 -4.83 115.22 104.82 2juw n HIS 78 Ca -0.05 0.00 -0.39 0.00 -0.00 0.00 0.00 57.72 57.28 2juw n HIS 78 Cb 0.20 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 30.14 2juw n HIS 78 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2juw s HIS 79 N 0.00 3.71 -2.75 1.57 5.65 -1.26 -5.35 115.29 116.86 2juw s HIS 79 Ca 0.00 1.32 0.22 0.00 0.25 0.00 0.00 55.06 56.85 2juw s HIS 79 Cb 0.00 -2.70 0.17 0.00 -1.18 0.00 0.00 32.58 28.88 2juw s HIS 79 CO 0.00 0.32 1.20 1.58 -0.65 0.00 0.00 174.74 177.19