#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2juw n ALA 2 N 0.00 3.28 -1.75 3.04 0.00 -1.26 -5.04 120.51 118.78 2juw n ALA 2 Ca 0.00 -2.63 -0.36 0.00 0.00 0.00 0.00 53.44 50.45 2juw n ALA 2 Cb 0.00 -0.66 0.03 0.00 0.00 0.00 0.00 19.45 18.82 2juw n ALA 2 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 2juw s ILE 3 N -2.97 2.63 -0.79 0.00 -4.36 -1.26 -3.98 121.20 110.47 2juw s ILE 3 Ca 0.41 0.40 -0.01 0.00 -0.26 0.00 0.00 60.65 61.19 2juw s ILE 3 Cb 0.35 -3.16 -0.01 0.00 1.25 0.00 0.00 42.46 40.89 2juw s ILE 3 CO 0.05 -0.08 0.73 0.00 0.24 0.00 0.00 174.94 175.88 2juw n GLN 4 N -1.51 -1.44 -2.39 0.37 3.00 -1.26 -4.88 117.38 109.26 2juw n GLN 4 Ca 0.13 1.39 -0.37 0.00 -0.01 0.00 0.00 57.00 58.14 2juw n GLN 4 Cb 0.49 -5.66 -0.04 0.00 0.00 0.00 0.00 30.24 25.04 2juw n GLN 4 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.06 175.94 2juw s SER 5 N -3.05 6.03 0.12 1.08 0.01 -1.26 -4.82 113.70 111.82 2juw s SER 5 Ca 0.06 -1.06 -0.15 0.00 1.31 0.00 0.00 55.95 56.12 2juw s SER 5 Cb -0.01 -2.56 -0.03 0.00 0.21 0.00 0.00 66.02 63.63 2juw s SER 5 CO 0.75 -1.93 1.54 0.11 0.41 0.00 0.00 173.24 174.13 2juw h LYS 6 N 10.47 0.71 -4.50 12.44 1.57 -1.94 -3.45 116.57 131.88 2juw h LYS 6 Ca 0.11 -0.25 -0.28 0.00 -1.87 0.00 0.00 60.65 58.35 2juw h LYS 6 Cb 1.02 -0.05 -0.23 0.00 0.08 0.00 0.00 32.23 33.05 2juw h LYS 6 CO 1.34 0.83 -0.74 0.71 -0.57 0.00 0.00 179.45 181.03 2juw s TYR 7 N -4.89 0.62 0.12 -1.35 2.02 -1.26 -5.14 117.35 107.47 2juw s TYR 7 Ca -0.13 -0.40 -0.25 0.00 -0.37 0.00 0.00 57.07 55.92 2juw s TYR 7 Cb 0.10 -0.38 -0.07 0.00 -0.40 0.00 0.00 41.96 41.21 2juw s TYR 7 CO 0.80 -0.07 0.75 -1.12 -1.57 0.00 0.00 175.55 174.35 2juw s SER 8 N -1.24 7.30 0.28 2.29 0.01 -1.26 -4.97 113.70 116.11 2juw s SER 8 Ca -0.07 1.55 -0.01 0.00 1.31 0.00 0.00 55.95 58.72 2juw s SER 8 Cb -0.08 -2.48 0.45 0.00 0.21 0.00 0.00 66.02 64.12 2juw s SER 8 CO 0.00 0.15 1.90 -1.13 0.41 0.00 0.00 173.24 174.57 2juw h ASN 9 N 4.80 1.00 -0.95 2.44 -0.73 -2.00 -2.38 115.58 117.75 2juw h ASN 9 Ca -0.46 0.00 0.11 0.00 1.87 0.00 0.00 56.30 57.82 2juw h ASN 9 Cb 1.21 -0.21 -0.07 0.00 0.27 0.00 0.00 38.32 39.51 2juw h ASN 9 CO 0.67 0.65 0.61 0.74 -0.37 0.00 0.00 177.43 179.73 2juw h THR 10 N 1.13 0.94 0.46 -3.57 2.02 -1.99 0.25 112.91 112.15 2juw h THR 10 Ca 0.41 -0.32 -0.02 0.00 0.77 0.00 0.00 66.41 67.25 2juw h THR 10 Cb 0.15 -0.08 0.00 0.00 -1.74 0.00 0.00 68.15 66.49 2juw h THR 10 CO -0.15 0.17 -0.22 -0.61 0.37 0.00 0.00 175.52 175.08 2juw h GLN 11 N 0.94 -0.59 -0.53 6.66 -0.00 -1.84 -2.66 115.11 117.08 2juw h GLN 11 Ca 0.46 0.04 0.00 0.00 -0.00 0.00 0.00 58.65 59.15 2juw h GLN 11 Cb 0.46 0.13 -0.03 0.00 0.00 0.00 0.00 27.48 28.05 2juw h GLN 11 CO -0.22 -0.29 0.35 0.28 0.00 0.00 0.00 178.83 178.95 2juw h VAL 12 N -1.00 1.14 -0.22 2.39 2.07 -1.36 0.29 116.25 119.56 2juw h VAL 12 Ca -0.06 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 2juw h VAL 12 Cb 0.57 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 2juw h VAL 12 CO 0.10 0.14 0.11 -0.08 0.02 0.00 0.00 177.57 177.86 2juw h GLU 13 N 0.72 0.31 -0.15 1.57 4.57 -0.61 0.49 114.58 121.47 2juw h GLU 13 Ca 0.19 -0.04 -0.14 0.00 -1.18 0.00 0.00 59.36 58.19 2juw h GLU 13 Cb -0.07 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.45 2juw h GLU 13 CO -0.04 0.32 -0.51 0.66 -1.18 0.00 0.00 179.01 178.26 2juw h SER 14 N 0.22 0.46 0.32 1.04 4.64 -1.29 -1.55 113.55 117.38 2juw h SER 14 Ca 0.07 -0.23 -0.02 0.00 -0.47 0.00 0.00 61.79 61.15 2juw h SER 14 Cb 0.11 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 2juw h SER 14 CO -0.01 0.89 -0.15 0.25 -0.87 0.00 0.00 176.83 176.94 2juw h LEU 15 N 0.33 -0.36 -0.54 5.97 5.85 -0.60 -1.76 115.31 124.20 2juw h LEU 15 Ca 0.01 -0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.79 2juw h LEU 15 Cb 1.01 0.09 -0.06 0.00 0.37 0.00 0.00 40.66 42.07 2juw h LEU 15 CO 0.09 -0.22 0.21 0.40 -0.34 0.00 0.00 178.44 178.58 2juw h ILE 16 N -0.47 0.83 -0.50 4.05 2.04 -0.82 -2.31 117.51 120.33 2juw h ILE 16 Ca -0.04 -0.14 0.06 0.00 1.00 0.00 0.00 64.86 65.73 2juw h ILE 16 Cb 0.36 0.40 -0.05 0.00 -0.74 0.00 0.00 36.82 36.78 2juw h ILE 16 CO 0.07 0.07 0.22 0.00 0.00 0.00 0.00 178.15 178.51 2juw h ALA 17 N 1.35 0.62 -0.03 1.87 0.00 -1.10 -2.31 119.26 119.67 2juw h ALA 17 Ca 0.26 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 55.11 2juw h ALA 17 Cb 0.28 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2juw h ALA 17 CO -0.25 -0.16 -0.47 0.93 0.00 0.00 0.00 179.25 179.30 2juw h GLU 18 N 0.42 0.08 -0.43 0.00 5.08 -0.86 -0.50 114.58 118.37 2juw h GLU 18 Ca 0.23 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.53 2juw h GLU 18 Cb 0.19 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 2juw h GLU 18 CO -0.20 0.54 0.23 0.82 -1.00 0.00 0.00 179.01 179.40 2juw h ILE 19 N 0.07 1.17 -0.37 3.13 1.08 -0.91 -2.03 117.51 119.64 2juw h ILE 19 Ca 0.00 -0.44 -0.08 0.00 -0.39 0.00 0.00 64.86 63.95 2juw h ILE 19 Cb 0.86 0.67 -0.02 0.00 -3.07 0.00 0.00 36.82 35.26 2juw h ILE 19 CO 0.07 0.18 -0.09 -0.07 -0.69 0.00 0.00 178.15 177.54 2juw h LEU 20 N 0.56 0.62 -0.91 1.44 3.38 -1.03 -2.48 115.31 116.89 2juw h LEU 20 Ca 0.15 -0.16 0.05 0.00 0.09 0.00 0.00 57.88 58.01 2juw h LEU 20 Cb 0.08 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 40.60 2juw h LEU 20 CO -0.02 0.75 0.58 0.58 0.09 0.00 0.00 178.44 180.42 2juw h VAL 21 N 0.59 1.10 0.40 1.22 2.07 -0.63 1.00 116.25 122.00 2juw h VAL 21 Ca 0.11 -0.37 -0.02 0.00 0.82 0.00 0.00 66.70 67.24 2juw h VAL 21 Cb 0.51 -0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.20 2juw h VAL 21 CO 0.03 0.20 -0.19 0.58 0.02 0.00 0.00 177.57 178.20 2juw h VAL 22 N 1.09 0.61 -0.63 2.57 2.07 -0.93 0.26 116.25 121.29 2juw h VAL 22 Ca 0.38 -0.11 0.07 0.00 0.82 0.00 0.00 66.70 67.85 2juw h VAL 22 Cb 0.10 0.67 -0.06 0.00 -1.52 0.00 0.00 31.29 30.48 2juw h VAL 22 CO -0.15 0.02 0.32 -0.07 0.02 0.00 0.00 177.57 177.72 2juw h LEU 23 N -0.60 0.45 -0.64 2.57 3.38 -1.21 -2.07 115.31 117.18 2juw h LEU 23 Ca -0.06 0.04 -0.15 0.00 0.09 0.00 0.00 57.88 57.81 2juw h LEU 23 Cb 0.45 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 2juw h LEU 23 CO 0.09 0.29 -0.62 -0.08 0.09 0.00 0.00 178.44 178.20 2juw h GLU 24 N 0.59 0.20 -0.14 1.13 4.57 -0.68 -1.97 114.58 118.28 2juw h GLU 24 Ca 0.29 -0.15 -0.09 0.00 -1.18 0.00 0.00 59.36 58.24 2juw h GLU 24 Cb 0.23 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.83 2juw h GLU 24 CO -0.21 0.76 -0.30 -0.22 -1.18 0.00 0.00 179.01 177.86 2juw h LYS 25 N 0.15 0.28 -0.01 1.92 3.64 0.04 -0.44 116.57 122.14 2juw h LYS 25 Ca -0.01 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 2juw h LYS 25 Cb 1.13 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 2juw h LYS 25 CO 0.09 0.56 -0.00 0.72 -2.27 0.00 0.00 179.45 178.55 2juw n HIS 26 N -4.11 0.00 -4.15 1.91 8.25 -0.83 -4.93 115.22 111.35 2juw n HIS 26 Ca -0.01 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.16 2juw n HIS 26 Cb 0.41 -0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.45 2juw n HIS 26 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 2juw n LYS 27 N -0.08 -2.13 -2.29 -0.41 2.85 -0.18 -4.88 118.16 111.05 2juw n LYS 27 Ca 0.20 0.25 -0.42 0.00 -1.05 0.00 0.00 58.31 57.29 2juw n LYS 27 Cb 0.30 -4.12 -0.03 0.00 -0.65 0.00 0.00 35.03 30.53 2juw n LYS 27 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2juw s ALA 28 N -4.11 3.49 0.98 0.58 0.00 -0.80 -5.01 121.76 116.89 2juw s ALA 28 Ca 0.06 1.01 -0.12 0.00 0.00 0.00 0.00 51.96 52.91 2juw s ALA 28 Cb -0.03 -3.47 0.14 0.00 0.00 0.00 0.00 23.12 19.75 2juw s ALA 28 CO 0.95 -0.49 0.83 -2.30 0.00 0.00 0.00 175.76 174.75 2juw n PRO 29 N 3.24 -0.80 -0.21 0.00 -0.02 -1.26 -4.58 135.00 131.35 2juw n PRO 29 Ca 0.08 -0.18 -0.00 0.00 -2.02 0.00 0.00 63.50 61.37 2juw n PRO 29 Cb 0.44 -2.15 0.11 0.00 -0.02 0.00 0.00 33.50 31.88 2juw n PRO 29 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 2juw h THR 30 N -1.94 0.84 -0.10 3.45 2.02 -1.99 0.23 112.91 115.43 2juw h THR 30 Ca -0.47 -0.17 -0.13 0.00 0.77 0.00 0.00 66.41 66.41 2juw h THR 30 Cb 1.29 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 67.98 2juw h THR 30 CO 0.40 0.09 -0.51 -2.24 0.37 0.00 0.00 175.52 173.63 2juw h ASP 31 N 0.51 0.28 -0.12 4.18 2.03 -2.00 -2.14 116.42 119.16 2juw h ASP 31 Ca 0.31 -0.14 -0.23 0.00 -0.73 0.00 0.00 57.03 56.23 2juw h ASP 31 Cb 0.32 -0.08 0.01 0.00 -0.83 0.00 0.00 39.33 38.75 2juw h ASP 31 CO -0.26 0.75 -0.83 0.25 -1.03 0.00 0.00 179.24 178.12 2juw h LEU 32 N 0.20 0.94 -0.45 0.15 5.85 -1.64 -2.35 115.31 118.02 2juw h LEU 32 Ca 0.01 -0.64 0.00 0.00 0.84 0.00 0.00 57.88 58.09 2juw h LEU 32 Cb 0.97 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.70 2juw h LEU 32 CO 0.08 1.44 0.29 0.28 -0.34 0.00 0.00 178.44 180.19 2juw h SER 33 N 0.52 0.52 -0.58 1.25 0.02 -0.45 -1.67 113.55 113.15 2juw h SER 33 Ca -0.07 -0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 60.81 2juw h SER 33 Cb 1.46 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 63.84 2juw h SER 33 CO 0.17 0.39 0.22 -0.07 -1.14 0.00 0.00 176.83 176.41 2juw h LEU 34 N 0.60 0.85 0.94 5.07 3.38 -1.40 -1.18 115.31 123.57 2juw h LEU 34 Ca 0.16 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 2juw h LEU 34 Cb -0.05 -0.22 0.01 0.00 0.09 0.00 0.00 40.66 40.49 2juw h LEU 34 CO -0.03 0.77 -0.45 -0.03 0.09 0.00 0.00 178.44 178.79 2juw h MET 35 N 0.90 -1.22 -0.63 1.13 4.05 -0.88 0.25 114.93 118.53 2juw h MET 35 Ca 0.21 0.08 -0.01 0.00 -0.28 0.00 0.00 59.70 59.70 2juw h MET 35 Cb 0.21 0.28 -0.03 0.00 -0.80 0.00 0.00 31.60 31.26 2juw h MET 35 CO -0.01 -0.81 0.35 0.00 0.23 0.00 0.00 176.91 176.66 2juw h ALA 36 N -1.36 1.44 -0.13 0.39 0.00 -1.27 0.19 119.26 118.52 2juw h ALA 36 Ca -0.13 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 2juw h ALA 36 Cb 0.97 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 2juw h ALA 36 CO 0.21 0.47 0.00 1.25 0.00 0.00 0.00 179.25 181.18 2juw h LEU 37 N 0.87 0.22 -1.05 0.00 5.85 -1.17 0.03 115.31 120.06 2juw h LEU 37 Ca 0.22 -0.31 0.01 0.00 0.84 0.00 0.00 57.88 58.65 2juw h LEU 37 Cb 0.01 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 40.93 2juw h LEU 37 CO -0.04 0.47 0.64 1.23 -0.34 0.00 0.00 178.44 180.41 2juw h GLY 38 N -0.04 1.37 0.87 3.75 0.00 0.19 0.31 103.07 109.53 2juw h GLY 38 Ca 0.04 -0.51 0.01 0.00 0.00 0.00 0.00 47.33 46.87 2juw h GLY 38 CO 0.01 0.49 -0.04 3.43 0.00 0.00 0.00 176.54 180.42 2juw h ASN 39 N 1.30 -0.12 -0.19 0.19 -0.26 -0.47 -0.12 115.58 115.91 2juw h ASN 39 Ca 0.36 0.02 -0.00 0.00 -0.56 0.00 0.00 56.30 56.12 2juw h ASN 39 Cb -0.13 0.06 -0.01 0.00 -1.06 0.00 0.00 38.32 37.18 2juw h ASN 39 CO -0.08 -0.06 0.11 0.00 -1.06 0.00 0.00 177.43 176.33 2juw h VAL 41 N 0.22 0.78 0.00 0.00 2.07 -0.29 -2.68 116.25 116.35 2juw h VAL 41 Ca 0.07 0.00 -0.17 0.00 0.82 0.00 0.00 66.70 67.42 2juw h VAL 41 Cb 0.05 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 2juw h VAL 41 CO -0.01 0.00 -0.82 0.74 0.02 0.00 0.00 177.57 177.50 2juw h THR 42 N -0.06 1.46 0.00 2.57 2.02 -0.83 -3.05 112.91 115.02 2juw h THR 42 Ca 0.07 -2.93 -0.04 0.00 0.77 0.00 0.00 66.41 64.28 2juw h THR 42 Cb 0.17 2.64 -0.01 0.00 -1.74 0.00 0.00 68.15 69.21 2juw h THR 42 CO -0.16 0.80 -0.19 1.12 0.37 0.00 0.00 175.52 177.46 2juw h HIS 43 N 0.00 0.00 -0.00 3.16 -0.00 -0.24 -2.48 115.15 115.59 2juw h HIS 43 Ca -0.01 0.00 -0.19 0.00 -0.00 0.00 0.00 60.37 60.17 2juw h HIS 43 Cb 1.57 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.97 2juw h HIS 43 CO 0.00 0.19 -0.86 -0.07 -0.00 0.00 0.00 177.93 177.19 2juw h LEU 44 N 0.00 0.26 -1.40 6.12 3.38 -1.37 -3.01 115.31 119.29 2juw h LEU 44 Ca -0.00 -0.21 0.04 0.00 0.09 0.00 0.00 57.88 57.80 2juw h LEU 44 Cb 0.69 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.33 2juw h LEU 44 CO 0.02 1.00 0.44 -0.07 0.09 0.00 0.00 178.44 179.93 2juw h LEU 45 N 0.11 0.67 0.76 1.67 3.38 -1.44 -1.18 115.31 119.28 2juw h LEU 45 Ca -0.04 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 2juw h LEU 45 Cb 1.48 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 42.09 2juw h LEU 45 CO 0.13 0.45 -0.38 -0.33 0.09 0.00 0.00 178.44 178.41 2juw h GLU 46 N 0.77 -1.00 -0.02 1.13 5.08 -1.46 -2.59 114.58 116.49 2juw h GLU 46 Ca 0.27 0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.70 2juw h GLU 46 Cb 0.12 0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.60 2juw h GLU 46 CO -0.08 -0.66 -0.22 0.54 -1.00 0.00 0.00 179.01 177.59 2juw n ARG 47 N -5.54 1.57 -0.02 2.33 1.74 -1.16 -4.06 116.66 111.51 2juw n ARG 47 Ca -0.14 -1.06 0.01 0.00 -0.77 0.00 0.00 57.85 55.88 2juw n ARG 47 Cb 0.42 -1.30 -0.07 0.00 -1.02 0.00 0.00 32.46 30.49 2juw n ARG 47 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2juw n LYS 48 N 0.26 1.31 -5.16 5.56 4.76 -0.46 -5.00 118.16 119.43 2juw n LYS 48 Ca 0.08 -0.05 -0.30 0.00 -2.87 0.00 0.00 58.31 55.17 2juw n LYS 48 Cb 0.37 -1.23 -0.16 0.00 -1.84 0.00 0.00 35.03 32.17 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 -2.47 1.90 0.64 -0.18 1.01 -0.98 -5.04 120.40 115.28 2juw s VAL 49 Ca -0.04 -0.98 -0.18 0.00 0.00 0.00 0.00 61.98 60.78 2juw s VAL 49 Cb 0.05 -1.61 -0.01 0.00 0.00 0.00 0.00 36.38 34.80 2juw s VAL 49 CO 0.39 0.53 1.27 -2.84 0.00 0.00 0.00 175.10 174.45 2juw s PRO 50 N -0.11 2.61 0.30 2.72 0.02 -1.26 -4.44 135.00 134.84 2juw s PRO 50 Ca -0.04 1.99 0.06 0.00 0.02 0.00 0.00 61.00 63.03 2juw s PRO 50 Cb -0.13 -1.86 0.81 0.00 0.02 0.00 0.00 34.50 33.33 2juw s PRO 50 CO 0.03 -1.53 1.68 0.77 -0.33 0.00 0.00 177.00 177.62 2juw h SER 51 N 0.56 0.30 -0.36 2.53 0.02 -1.89 -1.34 113.55 113.38 2juw h SER 51 Ca -0.51 0.17 -0.08 0.00 -0.84 0.00 0.00 61.79 60.53 2juw h SER 51 Cb 1.33 0.16 -0.01 0.00 0.14 0.00 0.00 62.40 64.02 2juw h SER 51 CO 0.53 -0.06 -0.10 -0.08 -1.14 0.00 0.00 176.83 175.98 2juw h GLU 52 N 0.35 0.70 0.00 3.45 4.81 -1.99 -3.02 114.58 118.87 2juw h GLU 52 Ca 0.60 -0.27 0.00 0.00 -0.13 0.00 0.00 59.36 59.56 2juw h GLU 52 Cb 1.21 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.55 2juw h GLU 52 CO -0.58 0.86 -0.17 0.45 -0.73 0.00 0.00 179.01 178.85 2juw n SER 53 N -4.38 0.79 -0.12 1.04 2.88 -0.59 -3.68 113.62 109.56 2juw n SER 53 Ca -0.02 0.45 -0.05 0.00 -1.33 0.00 0.00 58.87 57.92 2juw n SER 53 Cb 0.35 -0.54 0.03 0.00 -0.75 0.00 0.00 64.21 63.30 2juw n SER 53 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 2juw h ARG 54 N 0.00 0.19 -0.66 -1.46 3.08 -1.19 -0.96 114.38 113.38 2juw h ARG 54 Ca 0.00 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 2juw h ARG 54 Cb 0.74 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.72 2juw h ARG 54 CO 0.00 0.12 0.34 0.37 -1.07 0.00 0.00 179.97 179.74 2juw h GLN 55 N 0.19 0.93 0.01 0.04 4.15 -1.70 -0.32 115.11 118.41 2juw h GLN 55 Ca 0.19 -0.12 -0.00 0.00 0.77 0.00 0.00 58.65 59.49 2juw h GLN 55 Cb 0.23 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 27.74 2juw h GLN 55 CO -0.26 0.71 -0.00 0.00 -1.93 0.00 0.00 178.83 177.35 2juw h ALA 56 N 1.16 -0.01 -0.34 3.38 0.00 -1.56 -0.40 119.26 121.49 2juw h ALA 56 Ca 0.23 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 2juw h ALA 56 Cb 0.07 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2juw h ALA 56 CO -0.03 -0.49 0.19 0.28 0.00 0.00 0.00 179.25 179.20 2juw h VAL 57 N -0.05 1.13 -0.20 0.00 2.07 -1.05 -1.17 116.25 116.98 2juw h VAL 57 Ca -0.00 -0.33 0.04 0.00 0.82 0.00 0.00 66.70 67.23 2juw h VAL 57 Cb 0.05 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 30.51 2juw h VAL 57 CO 0.00 0.13 -0.08 0.00 0.02 0.00 0.00 177.57 177.65 2juw h ALA 58 N 1.06 0.10 -0.26 1.67 0.00 -0.77 0.40 119.26 121.46 2juw h ALA 58 Ca 0.12 0.08 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 2juw h ALA 58 Cb 0.04 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2juw h ALA 58 CO -0.02 -0.50 -0.12 0.93 0.00 0.00 0.00 179.25 179.53 2juw h GLU 59 N -0.05 0.54 -0.43 0.00 5.08 -0.98 -0.23 114.58 118.51 2juw h GLU 59 Ca 0.10 -0.24 -0.09 0.00 -1.00 0.00 0.00 59.36 58.13 2juw h GLU 59 Cb 0.20 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 2juw h GLU 59 CO -0.23 0.79 -0.12 1.96 -1.00 0.00 0.00 179.01 180.41 2juw h GLN 60 N 0.27 0.78 -0.22 2.33 4.20 -0.97 -0.04 115.11 121.45 2juw h GLN 60 Ca 0.06 -0.26 -0.04 0.00 0.06 0.00 0.00 58.65 58.47 2juw h GLN 60 Cb 0.63 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.34 2juw h GLN 60 CO 0.04 0.86 0.00 0.35 -0.67 0.00 0.00 178.83 179.41 2juw h PHE 61 N 0.70 0.43 -0.90 2.96 3.57 -0.13 -0.17 116.94 123.40 2juw h PHE 61 Ca 0.12 -0.07 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 2juw h PHE 61 Cb 0.60 -0.11 -0.04 0.00 2.79 0.00 0.00 35.95 39.19 2juw h PHE 61 CO 0.03 0.57 0.53 0.00 -2.23 0.00 0.00 178.31 177.21 2juw h ALA 62 N 0.80 1.14 -0.15 2.41 0.00 -0.80 0.25 119.26 122.92 2juw h ALA 62 Ca 0.06 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2juw h ALA 62 Cb 0.40 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2juw h ALA 62 CO 0.01 0.62 0.04 0.87 0.00 0.00 0.00 179.25 180.79 2juw h LYS 63 N 1.24 0.24 -0.56 0.00 1.57 -0.91 -1.38 116.57 116.77 2juw h LYS 63 Ca 0.32 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 59.04 2juw h LYS 63 Cb -0.03 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.22 2juw h LYS 63 CO -0.06 0.38 0.32 0.00 -0.57 0.00 0.00 179.45 179.52 2juw h ALA 64 N 0.85 1.50 0.40 3.86 0.00 -0.57 0.18 119.26 125.48 2juw h ALA 64 Ca 0.05 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 2juw h ALA 64 Cb 0.24 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2juw h ALA 64 CO -0.00 0.42 -0.19 1.25 0.00 0.00 0.00 179.25 180.73 2juw h LEU 65 N 0.77 -0.45 -1.18 0.00 5.85 -0.30 0.85 115.31 120.84 2juw h LEU 65 Ca 0.20 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 2juw h LEU 65 Cb 0.00 0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 2juw h LEU 65 CO -0.03 -0.23 0.34 0.00 -0.34 0.00 0.00 178.44 178.18 2juw h ALA 66 N -0.10 1.37 -0.37 1.25 0.00 -0.89 -1.67 119.26 118.85 2juw h ALA 66 Ca -0.05 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.65 2juw h ALA 66 Cb 0.48 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2juw h ALA 66 CO 0.09 0.51 -0.14 1.96 0.00 0.00 0.00 179.25 181.67 2juw h GLN 67 N 0.91 0.67 -0.59 0.00 1.08 -0.50 -0.06 115.11 116.61 2juw h GLN 67 Ca 0.23 -0.22 -0.03 0.00 -1.45 0.00 0.00 58.65 57.18 2juw h GLN 67 Cb 0.05 -0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 27.40 2juw h GLN 67 CO -0.03 0.78 0.26 0.77 -0.95 0.00 0.00 178.83 179.65 2juw h SER 68 N 0.60 0.77 -0.06 1.46 0.02 0.08 0.30 113.55 116.72 2juw h SER 68 Ca 0.10 -0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 60.95 2juw h SER 68 Cb 0.58 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 62.92 2juw h SER 68 CO 0.04 0.67 -0.04 0.58 -1.14 0.00 0.00 176.83 176.94 2juw h VAL 69 N 0.84 1.33 -0.40 2.27 2.07 -0.95 -1.58 116.25 119.84 2juw h VAL 69 Ca 0.20 -1.07 0.05 0.00 0.82 0.00 0.00 66.70 66.71 2juw h VAL 69 Cb 0.13 1.91 -0.05 0.00 -1.52 0.00 0.00 31.29 31.76 2juw h VAL 69 CO -0.02 0.29 0.13 0.11 0.02 0.00 0.00 177.57 178.10 2juw h LYS 70 N -0.25 0.28 -0.01 1.57 1.57 -0.60 -2.09 116.57 117.05 2juw h LYS 70 Ca 0.01 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2juw h LYS 70 Cb 0.49 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.73 2juw h LYS 70 CO 0.01 0.19 0.00 0.43 -0.57 0.00 0.00 179.45 179.51 2juw n SER 71 N -5.02 0.53 0.01 0.86 7.64 0.10 0.30 113.62 118.04 2juw n SER 71 Ca 0.02 -1.18 -0.08 0.00 1.01 0.00 0.00 58.87 58.64 2juw n SER 71 Cb 0.15 -0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.22 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 0.83 0.00 0.00 6.43 -1.24 -0.56 -3.40 115.58 117.64 2juw h ASN 72 Ca 0.00 -0.00 -0.35 0.00 0.71 0.00 0.00 56.30 56.66 2juw h ASN 72 Cb 0.18 -0.00 -0.05 0.00 0.73 0.00 0.00 38.32 39.17 2juw h ASN 72 CO 0.00 1.00 -2.14 0.18 -1.29 0.00 0.00 177.43 175.18 2juw n LEU 73 N -3.17 1.90 0.00 0.34 4.77 -1.14 -4.98 117.00 114.73 2juw n LEU 73 Ca -0.10 0.33 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 2juw n LEU 73 Cb 1.01 -0.78 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 2juw n LEU 73 CO 0.46 0.36 0.00 -0.62 -1.33 0.00 0.00 177.39 176.25 2juw n GLU 74 N -4.26 0.00 -2.09 3.23 1.02 0.15 -4.74 120.64 113.94 2juw n GLU 74 Ca -0.44 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.36 2juw n GLU 74 Cb 0.79 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 32.17 2juw n GLU 74 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2juw s HIS 75 N 0.00 1.78 0.52 -0.32 2.46 -1.26 -4.96 115.29 113.51 2juw s HIS 75 Ca 0.00 0.62 -0.07 0.00 0.47 0.00 0.00 55.06 56.08 2juw s HIS 75 Cb 0.00 -4.13 -0.04 0.00 -0.13 0.00 0.00 32.58 28.28 2juw s HIS 75 CO 0.00 -2.09 0.87 -3.38 -2.47 0.00 0.00 174.74 167.67 2juw s HIS 76 N 9.06 3.58 -0.72 3.88 -3.43 -1.26 -4.97 115.29 121.42 2juw s HIS 76 Ca 0.65 0.99 0.05 0.00 -0.80 0.00 0.00 55.06 55.95 2juw s HIS 76 Cb -0.10 -2.45 0.29 0.00 -1.43 0.00 0.00 32.58 28.90 2juw s HIS 76 CO 0.12 -0.41 0.95 0.72 -2.00 0.00 0.00 174.74 174.12 2juw n HIS 77 N -2.38 0.75 -3.59 0.38 8.25 -1.26 -4.45 115.22 112.93 2juw n HIS 77 Ca 0.02 -0.27 -0.29 0.00 -0.26 0.00 0.00 57.72 56.93 2juw n HIS 77 Cb 0.55 -0.25 -0.15 0.00 1.12 0.00 0.00 29.99 31.25 2juw n HIS 77 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2juw s HIS 78 N -1.63 0.61 0.03 4.41 3.76 -1.26 -5.00 115.29 116.21 2juw s HIS 78 Ca 0.20 -0.98 -0.25 0.00 -0.15 0.00 0.00 55.06 53.87 2juw s HIS 78 Cb 0.15 -1.04 -0.17 0.00 1.11 0.00 0.00 32.58 32.63 2juw s HIS 78 CO 0.06 -0.79 1.45 1.25 -0.85 0.00 0.00 174.74 175.85 2juw h HIS 79 N 8.34 -0.20 0.00 1.40 2.76 -2.03 -3.54 115.15 121.88 2juw h HIS 79 Ca -0.18 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.98 2juw h HIS 79 Cb 1.03 0.07 0.00 0.00 1.55 0.00 0.00 27.41 30.06 2juw h HIS 79 CO 0.29 0.06 0.00 1.58 -1.30 0.00 0.00 177.93 178.56