#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 -1.82 -0.10 3.17 0.00 -1.26 -5.16 121.76 116.59 2juw s ALA 2 Ca 0.00 1.28 -0.05 0.00 0.00 0.00 0.00 51.96 53.19 2juw s ALA 2 Cb 0.00 -0.10 -0.04 0.00 0.00 0.00 0.00 23.12 22.99 2juw s ALA 2 CO 0.00 -0.45 0.09 0.96 0.00 0.00 0.00 175.76 176.36 2juw s ILE 3 N -1.80 5.08 0.00 0.00 -4.36 -1.26 -5.00 121.20 113.86 2juw s ILE 3 Ca -0.03 0.01 0.00 0.00 -0.26 0.00 0.00 60.65 60.37 2juw s ILE 3 Cb -0.00 -3.21 0.00 0.00 1.25 0.00 0.00 42.46 40.50 2juw s ILE 3 CO 0.01 0.58 0.00 0.00 0.24 0.00 0.00 174.94 175.77 2juw n GLN 4 N 1.92 0.00 -3.60 0.37 6.02 -1.26 -4.80 117.38 116.03 2juw n GLN 4 Ca -0.19 0.00 -0.16 0.00 -0.01 0.00 0.00 57.00 56.64 2juw n GLN 4 Cb 0.54 0.00 -0.07 0.00 1.02 0.00 0.00 30.24 31.73 2juw n GLN 4 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 2juw s SER 5 N -4.00 -0.50 0.00 1.08 0.01 -1.26 -4.96 113.70 104.07 2juw s SER 5 Ca 0.00 0.52 0.00 0.00 1.31 0.00 0.00 55.95 57.78 2juw s SER 5 Cb 0.00 0.48 0.00 0.00 0.21 0.00 0.00 66.02 66.71 2juw s SER 5 CO 0.00 -0.55 0.00 1.17 0.41 0.00 0.00 173.24 174.27 2juw n LYS 6 N 1.06 0.00 -3.78 12.44 3.00 -1.26 -4.75 118.16 124.87 2juw n LYS 6 Ca -0.20 0.00 -0.13 0.00 -0.00 0.00 0.00 58.31 57.98 2juw n LYS 6 Cb 0.57 -0.01 -0.10 0.00 0.00 0.00 0.00 35.03 35.49 2juw n LYS 6 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.40 178.92 2juw s TYR 7 N 0.00 -0.20 0.23 5.64 -0.85 -1.26 -5.16 117.35 115.76 2juw s TYR 7 Ca 0.00 0.41 -0.04 0.00 -0.52 0.00 0.00 57.07 56.92 2juw s TYR 7 Cb 0.00 0.08 -0.05 0.00 0.38 0.00 0.00 41.96 42.37 2juw s TYR 7 CO 0.00 -0.28 0.47 0.45 -1.52 0.00 0.00 175.55 174.67 2juw s SER 8 N -0.75 6.44 0.40 -0.18 0.15 -1.26 -4.86 113.70 113.64 2juw s SER 8 Ca -0.08 0.60 0.07 0.00 0.70 0.00 0.00 55.95 57.23 2juw s SER 8 Cb -0.04 -2.09 0.82 0.00 -1.71 0.00 0.00 66.02 63.00 2juw s SER 8 CO 0.02 -0.10 2.04 -0.55 1.20 0.00 0.00 173.24 175.85 2juw h ASN 9 N 2.00 0.52 -0.80 5.45 7.08 -1.99 0.83 115.58 128.68 2juw h ASN 9 Ca -0.47 -0.01 -0.01 0.00 -3.08 0.00 0.00 56.30 52.72 2juw h ASN 9 Cb 1.19 -0.13 -0.04 0.00 -2.08 0.00 0.00 38.32 37.26 2juw h ASN 9 CO 0.68 0.37 0.44 0.74 -2.08 0.00 0.00 177.43 177.58 2juw h THR 10 N 0.61 1.24 -0.05 6.14 2.02 -1.99 -1.51 112.91 119.38 2juw h THR 10 Ca 0.19 -0.58 -0.01 0.00 0.77 0.00 0.00 66.41 66.77 2juw h THR 10 Cb -0.01 0.16 -0.00 0.00 -1.74 0.00 0.00 68.15 66.57 2juw h THR 10 CO -0.04 0.26 -0.03 -0.61 0.37 0.00 0.00 175.52 175.47 2juw h GLN 11 N 1.11 0.10 -0.20 6.66 4.15 -1.47 -1.44 115.11 124.03 2juw h GLN 11 Ca 0.28 -0.05 0.03 0.00 0.77 0.00 0.00 58.65 59.69 2juw h GLN 11 Cb 0.02 -0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.68 2juw h GLN 11 CO -0.05 0.50 0.01 0.28 -1.93 0.00 0.00 178.83 177.64 2juw h VAL 12 N -0.30 0.87 -0.90 2.39 2.07 -0.82 -1.45 116.25 118.11 2juw h VAL 12 Ca 0.01 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.50 2juw h VAL 12 Cb 0.47 0.79 -0.04 0.00 -1.52 0.00 0.00 31.29 30.98 2juw h VAL 12 CO 0.01 0.01 0.56 -0.08 0.02 0.00 0.00 177.57 178.09 2juw h GLU 13 N 0.08 1.21 -0.79 1.57 4.81 -1.29 -1.86 114.58 118.30 2juw h GLU 13 Ca 0.09 -0.10 0.04 0.00 -0.13 0.00 0.00 59.36 59.27 2juw h GLU 13 Cb 0.11 -0.26 -0.05 0.00 0.63 0.00 0.00 28.75 29.18 2juw h GLU 13 CO -0.15 0.83 0.50 1.03 -0.73 0.00 0.00 179.01 180.48 2juw h SER 14 N 1.23 0.81 -0.04 1.04 0.87 -0.57 0.09 113.55 116.97 2juw h SER 14 Ca 0.32 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.88 2juw h SER 14 Cb -0.09 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 61.70 2juw h SER 14 CO -0.06 0.55 0.01 -0.07 -0.53 0.00 0.00 176.83 176.72 2juw h LEU 15 N 0.95 0.06 -0.49 2.23 4.07 -0.69 -2.57 115.31 118.87 2juw h LEU 15 Ca 0.33 -0.25 0.01 0.00 0.08 0.00 0.00 57.88 58.05 2juw h LEU 15 Cb 0.06 -0.02 -0.03 0.00 1.08 0.00 0.00 40.66 41.76 2juw h LEU 15 CO -0.13 0.29 0.31 0.40 -1.08 0.00 0.00 178.44 178.24 2juw h ILE 16 N -0.18 1.10 -0.51 1.22 2.04 -1.04 -2.66 117.51 117.48 2juw h ILE 16 Ca 0.01 -0.22 0.02 0.00 1.00 0.00 0.00 64.86 65.67 2juw h ILE 16 Cb 0.26 0.41 -0.03 0.00 -0.74 0.00 0.00 36.82 36.72 2juw h ILE 16 CO 0.00 0.12 0.31 0.00 0.00 0.00 0.00 178.15 178.57 2juw h ALA 17 N 1.19 0.65 -0.49 1.87 0.00 -0.95 -2.12 119.26 119.41 2juw h ALA 17 Ca 0.18 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.95 2juw h ALA 17 Cb -0.04 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2juw h ALA 17 CO -0.06 0.02 -0.20 0.93 0.00 0.00 0.00 179.25 179.94 2juw h GLU 18 N 0.61 1.01 0.00 0.00 5.08 -1.23 -1.61 114.58 118.43 2juw h GLU 18 Ca 0.20 -0.42 -0.09 0.00 -1.00 0.00 0.00 59.36 58.05 2juw h GLU 18 Cb 0.01 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 2juw h GLU 18 CO -0.09 1.10 -0.44 -0.84 -1.00 0.00 0.00 179.01 177.74 2juw h ILE 19 N 0.87 1.10 -0.41 3.13 3.07 -1.35 -2.23 117.51 121.69 2juw h ILE 19 Ca 0.11 -1.65 -0.13 0.00 1.55 0.00 0.00 64.86 64.75 2juw h ILE 19 Cb 0.78 1.95 -0.01 0.00 -0.27 0.00 0.00 36.82 39.27 2juw h ILE 19 CO 0.07 0.44 -0.26 -0.07 -1.05 0.00 0.00 178.15 177.27 2juw h LEU 20 N 0.00 0.88 -0.99 0.16 3.38 -1.07 -2.72 115.31 114.94 2juw h LEU 20 Ca -0.00 -0.34 0.03 0.00 0.09 0.00 0.00 57.88 57.66 2juw h LEU 20 Cb 0.91 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 41.36 2juw h LEU 20 CO 0.06 1.08 0.65 0.58 0.09 0.00 0.00 178.44 180.90 2juw h VAL 21 N 0.73 1.18 -0.36 1.22 2.07 -0.73 -1.16 116.25 119.20 2juw h VAL 21 Ca 0.09 -0.44 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 2juw h VAL 21 Cb 0.80 -0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 2juw h VAL 21 CO 0.07 0.23 0.19 0.58 0.02 0.00 0.00 177.57 178.66 2juw h VAL 22 N 1.27 1.15 -0.27 2.57 2.07 -1.27 0.20 116.25 121.98 2juw h VAL 22 Ca 0.39 -0.40 0.06 0.00 0.82 0.00 0.00 66.70 67.57 2juw h VAL 22 Cb -0.02 0.76 -0.06 0.00 -1.52 0.00 0.00 31.29 30.45 2juw h VAL 22 CO -0.12 0.15 -0.13 -0.07 0.02 0.00 0.00 177.57 177.43 2juw h LEU 23 N 0.45 -0.43 -1.06 2.57 3.38 -1.11 -2.39 115.31 116.71 2juw h LEU 23 Ca 0.13 0.10 -0.05 0.00 0.09 0.00 0.00 57.88 58.15 2juw h LEU 23 Cb 0.08 0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 2juw h LEU 23 CO -0.02 -0.16 0.12 -0.33 0.09 0.00 0.00 178.44 178.13 2juw h GLU 24 N -0.09 0.79 0.00 1.13 3.07 -0.83 -1.64 114.58 117.01 2juw h GLU 24 Ca 0.14 -0.16 -0.02 0.00 -0.50 0.00 0.00 59.36 58.82 2juw h GLU 24 Cb 0.31 -0.12 -0.00 0.00 -0.84 0.00 0.00 28.75 28.09 2juw h GLU 24 CO -0.33 0.72 -0.09 0.87 -1.40 0.00 0.00 179.01 178.78 2juw h LYS 25 N 0.76 0.00 -0.20 2.33 1.57 -0.11 -1.33 116.57 119.59 2juw h LYS 25 Ca 0.17 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 2juw h LYS 25 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.60 2juw h LYS 25 CO -0.00 0.09 0.00 0.72 -0.57 0.00 0.00 179.45 179.69 2juw n HIS 26 N -3.95 0.25 -3.30 -1.35 8.25 -0.99 -4.96 115.22 109.16 2juw n HIS 26 Ca -0.02 -0.16 -0.24 0.00 -0.26 0.00 0.00 57.72 57.03 2juw n HIS 26 Cb 0.19 -0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.33 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 1.06 -5.28 -1.75 -0.41 4.76 -0.50 -4.86 118.16 111.17 2juw n LYS 27 Ca 0.13 0.78 -0.42 0.00 -2.87 0.00 0.00 58.31 55.93 2juw n LYS 27 Cb 0.48 -5.66 -0.03 0.00 -1.84 0.00 0.00 35.03 27.98 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 -3.17 3.29 0.78 7.82 0.00 -0.69 -4.97 121.76 124.81 2juw s ALA 28 Ca 0.42 1.00 -0.12 0.00 0.00 0.00 0.00 51.96 53.26 2juw s ALA 28 Cb -0.20 -3.91 0.06 0.00 0.00 0.00 0.00 23.12 19.08 2juw s ALA 28 CO 0.52 -1.98 1.11 -1.25 0.00 0.00 0.00 175.76 174.16 2juw s PRO 29 N 5.01 2.09 0.22 0.00 0.04 -1.26 -4.63 135.00 136.48 2juw s PRO 29 Ca 0.88 1.33 -0.10 0.00 0.04 0.00 0.00 61.00 63.15 2juw s PRO 29 Cb -0.36 -1.87 0.34 0.00 0.04 0.00 0.00 34.50 32.65 2juw s PRO 29 CO 0.37 -1.79 1.65 1.15 0.04 0.00 0.00 177.00 178.42 2juw h THR 30 N -1.02 0.43 -0.04 1.26 2.02 -1.98 0.46 112.91 114.03 2juw h THR 30 Ca -0.44 -0.04 0.01 0.00 0.77 0.00 0.00 66.41 66.71 2juw h THR 30 Cb 1.25 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 67.96 2juw h THR 30 CO 0.50 0.02 -0.02 -0.78 0.37 0.00 0.00 175.52 175.60 2juw h ASP 31 N 0.10 -0.07 0.18 4.18 3.58 -1.99 0.78 116.42 123.18 2juw h ASP 31 Ca 0.35 0.02 -0.16 0.00 0.42 0.00 0.00 57.03 57.67 2juw h ASP 31 Cb 0.59 0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.67 2juw h ASP 31 CO -0.59 -0.03 -0.59 0.25 -2.88 0.00 0.00 179.24 175.40 2juw h LEU 32 N -0.02 0.46 -0.54 2.28 5.85 -1.68 -2.40 115.31 119.26 2juw h LEU 32 Ca 0.03 -0.26 -0.06 0.00 0.84 0.00 0.00 57.88 58.42 2juw h LEU 32 Cb 0.06 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 2juw h LEU 32 CO -0.06 0.95 0.09 -1.28 -0.34 0.00 0.00 178.44 177.80 2juw h SER 33 N 0.31 0.86 -0.71 1.25 0.87 0.21 0.48 113.55 116.82 2juw h SER 33 Ca -0.00 -0.26 -0.05 0.00 -1.23 0.00 0.00 61.79 60.25 2juw h SER 33 Cb 1.12 -0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 62.82 2juw h SER 33 CO 0.10 0.90 0.27 -0.07 -0.53 0.00 0.00 176.83 177.50 2juw h LEU 34 N 0.79 1.01 -0.21 2.23 3.38 -0.77 -0.77 115.31 120.96 2juw h LEU 34 Ca 0.17 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2juw h LEU 34 Cb 0.40 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 2juw h LEU 34 CO 0.01 0.91 0.08 -0.03 0.09 0.00 0.00 178.44 179.50 2juw h MET 35 N 1.06 0.32 0.91 1.13 4.05 -0.97 0.13 114.93 121.55 2juw h MET 35 Ca 0.24 -0.06 -0.04 0.00 -0.28 0.00 0.00 59.70 59.56 2juw h MET 35 Cb 0.23 -0.05 0.01 0.00 -0.80 0.00 0.00 31.60 30.99 2juw h MET 35 CO -0.02 0.37 -0.43 0.00 0.23 0.00 0.00 176.91 177.06 2juw h ALA 36 N 0.93 -1.22 -0.16 0.39 0.00 -0.67 0.12 119.26 118.65 2juw h ALA 36 Ca 0.07 -0.27 0.04 0.00 0.00 0.00 0.00 54.91 54.76 2juw h ALA 36 Cb 0.17 0.47 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 2juw h ALA 36 CO -0.01 -1.16 -0.11 -0.07 0.00 0.00 0.00 179.25 177.90 2juw h LEU 37 N -1.26 -0.36 -1.06 0.00 -0.00 -1.18 -1.12 115.31 110.32 2juw h LEU 37 Ca -0.12 0.08 -0.01 0.00 -0.00 0.00 0.00 57.88 57.82 2juw h LEU 37 Cb 0.94 0.19 -0.04 0.00 -0.00 0.00 0.00 40.66 41.74 2juw h LEU 37 CO 0.20 -0.15 0.48 1.23 -0.00 0.00 0.00 178.44 180.21 2juw h GLY 38 N -0.11 1.21 1.26 0.83 0.00 -0.72 -0.78 103.07 104.76 2juw h GLY 38 Ca 0.10 -0.52 -0.09 0.00 0.00 0.00 0.00 47.33 46.82 2juw h GLY 38 CO -0.23 0.50 -0.04 -0.57 0.00 0.00 0.00 176.54 176.20 2juw h ASN 39 N 1.15 0.87 -0.52 0.19 -0.73 -0.62 -1.32 115.58 114.60 2juw h ASN 39 Ca 0.29 -0.24 -0.03 0.00 1.87 0.00 0.00 56.30 58.19 2juw h ASN 39 Cb -0.02 -0.23 -0.02 0.00 0.27 0.00 0.00 38.32 38.32 2juw h ASN 39 CO -0.05 0.95 0.20 0.00 -0.37 0.00 0.00 177.43 178.17 2juw h VAL 41 N 0.70 0.94 -0.10 0.00 2.07 -0.79 0.01 116.25 119.06 2juw h VAL 41 Ca 0.17 -0.10 -0.12 0.00 0.82 0.00 0.00 66.70 67.47 2juw h VAL 41 Cb 0.20 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 2juw h VAL 41 CO -0.01 0.05 -0.48 0.74 0.02 0.00 0.00 177.57 177.89 2juw h THR 42 N 0.30 1.34 -0.33 2.57 2.02 -1.01 -3.01 112.91 114.78 2juw h THR 42 Ca 0.15 -1.70 -0.12 0.00 0.77 0.00 0.00 66.41 65.51 2juw h THR 42 Cb 0.10 1.79 -0.01 0.00 -1.74 0.00 0.00 68.15 68.29 2juw h THR 42 CO -0.13 0.51 -0.30 -0.74 0.37 0.00 0.00 175.52 175.22 2juw h HIS 43 N 0.21 0.82 -0.09 3.16 2.76 0.21 -2.90 115.15 119.32 2juw h HIS 43 Ca 0.01 -0.21 -0.11 0.00 -2.20 0.00 0.00 60.37 57.86 2juw h HIS 43 Cb 0.93 -0.19 -0.01 0.00 1.55 0.00 0.00 27.41 29.69 2juw h HIS 43 CO 0.02 0.93 -0.46 -0.07 -1.30 0.00 0.00 177.93 177.05 2juw h LEU 44 N 0.61 0.24 -1.17 0.26 3.38 -0.91 -2.96 115.31 114.76 2juw h LEU 44 Ca 0.07 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2juw h LEU 44 Cb 0.81 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.46 2juw h LEU 44 CO 0.07 0.67 0.50 -0.07 0.09 0.00 0.00 178.44 179.69 2juw h LEU 45 N 0.18 0.93 -0.19 1.67 3.38 -1.38 0.22 115.31 120.12 2juw h LEU 45 Ca 0.01 -0.04 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 2juw h LEU 45 Cb 0.88 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 2juw h LEU 45 CO 0.07 0.70 -0.22 -0.33 0.09 0.00 0.00 178.44 178.75 2juw h GLU 46 N 1.09 0.49 -0.00 1.13 4.39 -1.50 -2.47 114.58 117.70 2juw h GLU 46 Ca 0.29 -0.27 0.00 0.00 0.34 0.00 0.00 59.36 59.72 2juw h GLU 46 Cb -0.08 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.58 2juw h GLU 46 CO -0.06 0.85 -0.88 0.54 -1.16 0.00 0.00 179.01 178.30 2juw n ARG 47 N -4.43 0.30 0.00 2.33 5.12 -1.08 -4.41 116.66 114.48 2juw n ARG 47 Ca -0.05 -0.21 0.00 0.00 -1.93 0.00 0.00 57.85 55.65 2juw n ARG 47 Cb 0.42 -1.49 0.00 0.00 -1.16 0.00 0.00 32.46 30.23 2juw n ARG 47 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 2juw n LYS 48 N -1.18 2.50 -4.98 5.56 4.76 0.75 -5.06 118.16 120.50 2juw n LYS 48 Ca 0.05 -0.04 -0.28 0.00 -2.87 0.00 0.00 58.31 55.17 2juw n LYS 48 Cb 0.36 -0.32 -0.16 0.00 -1.84 0.00 0.00 35.03 33.07 2juw n LYS 48 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2juw s VAL 49 N -0.37 1.64 0.44 -0.18 1.01 -0.93 -4.99 120.40 117.03 2juw s VAL 49 Ca 0.00 -0.84 -0.25 0.00 0.00 0.00 0.00 61.98 60.89 2juw s VAL 49 Cb 0.00 -1.40 -0.09 0.00 0.00 0.00 0.00 36.38 34.89 2juw s VAL 49 CO 0.00 0.47 1.40 -2.65 0.00 0.00 0.00 175.10 174.31 2juw n PRO 50 N 3.07 2.18 -0.37 2.72 -0.02 -1.26 -4.53 135.00 136.79 2juw n PRO 50 Ca -0.18 0.78 0.04 0.00 -2.02 0.00 0.00 63.50 62.12 2juw n PRO 50 Cb 0.53 -2.57 0.20 0.00 -0.02 0.00 0.00 33.50 31.63 2juw n PRO 50 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2juw h SER 51 N 2.25 0.99 0.42 2.55 4.64 -1.92 0.11 113.55 122.59 2juw h SER 51 Ca -0.50 0.03 -0.05 0.00 -0.47 0.00 0.00 61.79 60.80 2juw h SER 51 Cb 1.27 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 63.18 2juw h SER 51 CO 0.61 0.59 -0.23 -0.08 -0.87 0.00 0.00 176.83 176.85 2juw h GLU 52 N 1.10 0.00 0.00 4.77 4.81 -2.00 -2.73 114.58 120.53 2juw h GLU 52 Ca 0.46 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.64 2juw h GLU 52 Cb 0.30 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 2juw h GLU 52 CO -0.21 0.23 -1.45 0.43 -0.73 0.00 0.00 179.01 177.27 2juw n SER 53 N -3.83 0.55 -0.17 1.04 7.64 0.00 -4.38 113.62 114.47 2juw n SER 53 Ca -0.02 0.22 -0.01 0.00 1.01 0.00 0.00 58.87 60.07 2juw n SER 53 Cb 0.32 0.90 0.07 0.00 -1.01 0.00 0.00 64.21 64.49 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 0.12 -0.55 1.43 3.08 -0.55 0.71 114.38 118.62 2juw h ARG 54 Ca -0.06 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 59.94 2juw h ARG 54 Cb 1.17 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 31.16 2juw h ARG 54 CO 0.01 0.08 0.18 1.96 -1.07 0.00 0.00 179.97 181.13 2juw h GLN 55 N 0.13 0.82 -0.16 0.04 4.20 -1.76 -0.01 115.11 118.37 2juw h GLN 55 Ca 0.27 -0.15 -0.15 0.00 0.06 0.00 0.00 58.65 58.69 2juw h GLN 55 Cb 0.42 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.07 2juw h GLN 55 CO -0.45 0.71 -0.48 0.00 -0.67 0.00 0.00 178.83 177.94 2juw h ALA 56 N 1.39 0.28 -0.60 3.87 0.00 -1.45 -2.05 119.26 120.70 2juw h ALA 56 Ca 0.18 -0.49 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 2juw h ALA 56 Cb 0.23 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 2juw h ALA 56 CO -0.01 0.44 0.25 0.28 0.00 0.00 0.00 179.25 180.21 2juw h VAL 57 N 0.27 1.21 -0.79 0.00 2.07 -0.62 0.30 116.25 118.69 2juw h VAL 57 Ca -0.01 -0.66 0.00 0.00 0.82 0.00 0.00 66.70 66.85 2juw h VAL 57 Cb 1.10 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 31.32 2juw h VAL 57 CO 0.10 0.26 0.50 0.00 0.02 0.00 0.00 177.57 178.45 2juw h ALA 58 N 1.41 1.01 -0.30 1.67 0.00 -0.90 0.39 119.26 122.54 2juw h ALA 58 Ca 0.21 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 2juw h ALA 58 Cb 0.16 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2juw h ALA 58 CO -0.02 0.45 -0.06 1.49 0.00 0.00 0.00 179.25 181.11 2juw h GLU 59 N 1.08 0.57 -0.91 0.00 4.81 -0.55 -0.26 114.58 119.32 2juw h GLU 59 Ca 0.29 -0.21 -0.02 0.00 -0.13 0.00 0.00 59.36 59.29 2juw h GLU 59 Cb -0.07 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.23 2juw h GLU 59 CO -0.06 0.76 0.51 1.96 -0.73 0.00 0.00 179.01 181.45 2juw h GLN 60 N 0.33 1.27 -0.34 1.92 4.20 -0.09 0.17 115.11 122.57 2juw h GLN 60 Ca 0.08 -0.14 -0.03 0.00 0.06 0.00 0.00 58.65 58.62 2juw h GLN 60 Cb 0.54 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 2juw h GLN 60 CO 0.03 0.92 0.11 0.35 -0.67 0.00 0.00 178.83 179.56 2juw h PHE 61 N 1.27 0.54 -0.65 2.96 3.57 -0.11 -0.49 116.94 124.03 2juw h PHE 61 Ca 0.32 -0.05 0.04 0.00 3.53 0.00 0.00 57.97 61.81 2juw h PHE 61 Cb 0.01 -0.16 -0.05 0.00 2.79 0.00 0.00 35.95 38.55 2juw h PHE 61 CO 0.01 0.53 0.39 0.00 -2.23 0.00 0.00 178.31 177.01 2juw h ALA 62 N 0.95 0.86 0.26 2.41 0.00 -0.45 0.16 119.26 123.45 2juw h ALA 62 Ca 0.11 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 2juw h ALA 62 Cb 0.25 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2juw h ALA 62 CO -0.00 0.11 -0.22 0.87 0.00 0.00 0.00 179.25 180.01 2juw h LYS 63 N 0.74 -0.47 -0.87 0.00 1.57 -0.44 0.42 116.57 117.52 2juw h LYS 63 Ca 0.27 0.03 0.02 0.00 -1.87 0.00 0.00 60.65 59.10 2juw h LYS 63 Cb 0.09 0.11 -0.05 0.00 0.08 0.00 0.00 32.23 32.46 2juw h LYS 63 CO -0.13 -0.32 0.58 0.00 -0.57 0.00 0.00 179.45 179.01 2juw h ALA 64 N 0.19 1.12 0.58 3.86 0.00 -0.68 0.37 119.26 124.70 2juw h ALA 64 Ca -0.01 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 2juw h ALA 64 Cb 0.44 -0.34 0.01 0.00 0.00 0.00 0.00 17.79 17.90 2juw h ALA 64 CO -0.02 0.48 -0.28 1.25 0.00 0.00 0.00 179.25 180.68 2juw h LEU 65 N 1.16 -0.66 -1.05 0.00 5.85 -0.51 -0.23 115.31 119.88 2juw h LEU 65 Ca 0.33 -0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.99 2juw h LEU 65 Cb -0.10 0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 2juw h LEU 65 CO -0.08 -0.35 0.31 0.00 -0.34 0.00 0.00 178.44 177.98 2juw h ALA 66 N -0.69 1.25 -0.36 1.25 0.00 -0.78 -2.17 119.26 117.78 2juw h ALA 66 Ca -0.08 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2juw h ALA 66 Cb 0.66 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 2juw h ALA 66 CO 0.13 0.57 0.22 0.37 0.00 0.00 0.00 179.25 180.54 2juw h GLN 67 N 0.98 0.48 -0.84 0.00 4.15 -0.20 0.14 115.11 119.81 2juw h GLN 67 Ca 0.24 -0.04 0.08 0.00 0.77 0.00 0.00 58.65 59.70 2juw h GLN 67 Cb 0.13 -0.10 -0.06 0.00 0.21 0.00 0.00 27.48 27.66 2juw h GLN 67 CO -0.03 0.34 0.55 0.77 -1.93 0.00 0.00 178.83 178.53 2juw h SER 68 N 0.47 0.78 -0.00 -0.69 0.02 -0.40 0.55 113.55 114.28 2juw h SER 68 Ca 0.13 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.09 2juw h SER 68 Cb -0.02 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.37 2juw h SER 68 CO -0.03 0.49 -0.01 0.58 -1.14 0.00 0.00 176.83 176.72 2juw h VAL 69 N 0.88 1.60 0.11 2.27 2.07 -1.04 -3.19 116.25 118.95 2juw h VAL 69 Ca 0.37 -1.78 -0.28 0.00 0.82 0.00 0.00 66.70 65.83 2juw h VAL 69 Cb 0.30 2.81 0.02 0.00 -1.52 0.00 0.00 31.29 32.90 2juw h VAL 69 CO -0.14 0.46 -1.20 0.11 0.02 0.00 0.00 177.57 176.83 2juw h LYS 70 N -0.74 0.49 0.00 1.57 1.57 -0.29 -3.13 116.57 116.05 2juw h LYS 70 Ca -0.00 -0.67 0.00 0.00 -1.87 0.00 0.00 60.65 58.11 2juw h LYS 70 Cb 0.77 0.22 0.00 0.00 0.08 0.00 0.00 32.23 33.30 2juw h LYS 70 CO 0.00 1.29 0.00 -1.13 -0.57 0.00 0.00 179.45 179.04 2juw n SER 71 N -3.72 0.17 0.07 0.86 3.41 0.19 -1.42 113.62 113.19 2juw n SER 71 Ca -0.11 0.52 -0.04 0.00 -0.26 0.00 0.00 58.87 58.97 2juw n SER 71 Cb 0.97 -0.57 0.16 0.00 -0.26 0.00 0.00 64.21 64.52 2juw n SER 71 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 2juw h ASN 72 N 0.00 0.34 0.10 4.04 -1.24 -1.52 -3.27 115.58 114.02 2juw h ASN 72 Ca 0.00 -0.16 -0.01 0.00 0.71 0.00 0.00 56.30 56.84 2juw h ASN 72 Cb 0.52 -0.10 0.00 0.00 0.73 0.00 0.00 38.32 39.47 2juw h ASN 72 CO 0.00 0.77 -0.05 -0.07 -1.29 0.00 0.00 177.43 176.79 2juw h LEU 73 N 0.25 -0.12 0.00 0.34 3.38 -1.47 -3.49 115.31 114.20 2juw h LEU 73 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2juw h LEU 73 Cb 0.94 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.72 2juw h LEU 73 CO 0.08 0.22 0.00 1.21 0.09 0.00 0.00 178.44 180.04 2juw n GLU 74 N -4.08 0.00 0.00 1.13 2.13 -0.51 -4.86 120.64 114.46 2juw n GLU 74 Ca -0.02 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.80 2juw n GLU 74 Cb 0.05 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.76 2juw n GLU 74 CO 0.00 0.00 0.00 1.58 -0.41 0.00 0.00 177.13 178.30 2juw n HIS 75 N 0.58 0.00 -1.04 4.31 -0.00 -1.26 -4.39 115.22 113.43 2juw n HIS 75 Ca 0.00 0.00 -0.01 0.00 0.46 0.00 0.00 57.72 58.17 2juw n HIS 75 Cb 0.00 -0.03 -0.01 0.00 -0.12 0.00 0.00 29.99 29.84 2juw n HIS 75 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2juw n HIS 76 N -1.02 0.00 -0.09 1.57 -0.00 -1.26 -4.83 115.22 109.60 2juw n HIS 76 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.59 2juw n HIS 76 Cb 0.00 -1.39 -0.06 0.00 -0.00 0.00 0.00 29.99 28.54 2juw n HIS 76 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 2juw h HIS 77 N 0.00 0.00 -1.22 1.57 6.17 -1.99 -3.43 115.15 116.25 2juw h HIS 77 Ca -0.03 0.00 -0.63 0.00 0.71 0.00 0.00 60.37 60.42 2juw h HIS 77 Cb 0.66 0.00 -0.11 0.00 2.52 0.00 0.00 27.41 30.49 2juw h HIS 77 CO 0.40 0.71 1.60 -1.58 0.71 0.00 0.00 177.93 179.77 2juw s HIS 78 N -2.27 2.68 0.00 5.26 5.04 -1.26 -4.43 115.29 120.31 2juw s HIS 78 Ca -0.21 -1.13 0.00 0.00 -1.54 0.00 0.00 55.06 52.18 2juw s HIS 78 Cb 0.04 -4.66 0.00 0.00 0.04 0.00 0.00 32.58 28.00 2juw s HIS 78 CO 0.39 -1.84 0.23 -2.39 -2.34 0.00 0.00 174.74 168.79 2juw n HIS 79 N 8.42 0.00 -1.87 3.88 1.44 -1.26 -5.11 115.22 120.72 2juw n HIS 79 Ca 0.36 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 56.07 2juw n HIS 79 Cb 0.49 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.60 2juw n HIS 79 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14