#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 -1.80 -1.79 3.04 0.00 -1.26 -5.03 121.76 114.93 2juw s ALA 2 Ca 0.00 1.44 0.14 0.00 0.00 0.00 0.00 51.96 53.54 2juw s ALA 2 Cb 0.00 -0.25 0.43 0.00 0.00 0.00 0.00 23.12 23.31 2juw s ALA 2 CO 0.00 -0.36 1.34 0.44 0.00 0.00 0.00 175.76 177.19 2juw n ILE 3 N 1.10 0.80 -4.21 0.00 -5.35 -1.26 -4.90 119.36 105.55 2juw n ILE 3 Ca -0.17 -0.67 -0.12 0.00 -0.27 0.00 0.00 62.75 61.51 2juw n ILE 3 Cb 0.57 0.22 -0.10 0.00 -1.74 0.00 0.00 39.64 38.59 2juw n ILE 3 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2juw s GLN 4 N -1.48 1.02 0.15 6.28 -2.07 -1.26 -5.13 119.66 117.17 2juw s GLN 4 Ca 0.32 -1.48 -0.30 0.00 -1.82 0.00 0.00 55.36 52.09 2juw s GLN 4 Cb 0.18 -0.16 -0.07 0.00 -1.09 0.00 0.00 33.01 31.87 2juw s GLN 4 CO 0.20 -0.13 1.13 -1.12 -1.32 0.00 0.00 175.29 174.05 2juw s SER 5 N -3.12 7.20 0.28 12.60 0.01 -1.26 -4.93 113.70 124.47 2juw s SER 5 Ca 0.21 2.09 0.16 0.00 1.31 0.00 0.00 55.95 59.72 2juw s SER 5 Cb 0.06 -2.60 0.08 0.00 0.21 0.00 0.00 66.02 63.77 2juw s SER 5 CO 0.02 -0.30 1.41 0.11 0.41 0.00 0.00 173.24 174.88 2juw h LYS 6 N 5.52 0.00 -5.69 12.44 1.57 -2.00 -3.45 116.57 124.97 2juw h LYS 6 Ca -0.44 0.00 -0.68 0.00 -1.87 0.00 0.00 60.65 57.67 2juw h LYS 6 Cb 1.21 0.00 -0.32 0.00 0.08 0.00 0.00 32.23 33.20 2juw h LYS 6 CO 0.75 0.42 -0.88 0.71 -0.57 0.00 0.00 179.45 179.87 2juw s TYR 7 N -2.99 2.43 0.84 -1.35 2.02 -1.26 -5.13 117.35 111.90 2juw s TYR 7 Ca 0.04 -0.83 -0.12 0.00 -0.37 0.00 0.00 57.07 55.78 2juw s TYR 7 Cb 0.07 -1.61 0.10 0.00 -0.40 0.00 0.00 41.96 40.12 2juw s TYR 7 CO 0.74 -0.29 1.13 -1.54 -1.57 0.00 0.00 175.55 174.02 2juw s SER 8 N 0.06 4.16 0.33 2.29 1.04 -1.26 -4.92 113.70 115.40 2juw s SER 8 Ca -0.10 1.06 0.03 0.00 0.48 0.00 0.00 55.95 57.41 2juw s SER 8 Cb -0.15 -1.69 0.58 0.00 0.10 0.00 0.00 66.02 64.86 2juw s SER 8 CO 0.06 -2.15 1.91 -0.55 0.98 0.00 0.00 173.24 173.48 2juw h ASN 9 N -1.22 0.61 1.51 7.02 -1.07 -2.00 -2.57 115.58 117.86 2juw h ASN 9 Ca -0.48 -0.08 -0.09 0.00 0.07 0.00 0.00 56.30 55.72 2juw h ASN 9 Cb 1.30 -0.16 -0.01 0.00 -2.07 0.00 0.00 38.32 37.38 2juw h ASN 9 CO 0.62 0.58 -0.50 0.00 0.07 0.00 0.00 177.43 178.21 2juw h THR 10 N 0.66 0.64 0.82 6.14 1.03 -1.97 -2.07 112.91 118.15 2juw h THR 10 Ca 0.15 -1.93 -0.04 0.00 -0.01 0.00 0.00 66.41 64.59 2juw h THR 10 Cb 0.20 2.28 0.01 0.00 -1.07 0.00 0.00 68.15 69.57 2juw h THR 10 CO -0.01 0.37 -0.39 -0.61 -0.01 0.00 0.00 175.52 174.86 2juw h GLN 11 N 0.00 -1.06 -0.92 0.00 5.75 -1.83 0.15 115.11 117.20 2juw h GLN 11 Ca -0.02 0.07 0.06 0.00 -0.15 0.00 0.00 58.65 58.62 2juw h GLN 11 Cb 1.32 0.24 -0.06 0.00 1.07 0.00 0.00 27.48 30.05 2juw h GLN 11 CO 0.05 -0.71 0.60 0.28 -2.65 0.00 0.00 178.83 176.40 2juw h VAL 12 N -1.14 1.09 0.03 2.39 2.07 -1.61 -2.21 116.25 116.87 2juw h VAL 12 Ca -0.11 -0.37 0.03 0.00 0.82 0.00 0.00 66.70 67.07 2juw h VAL 12 Cb 0.84 -0.08 -0.05 0.00 -1.52 0.00 0.00 31.29 30.48 2juw h VAL 12 CO 0.18 0.20 -0.37 -0.08 0.02 0.00 0.00 177.57 177.52 2juw h GLU 13 N 1.08 -0.52 -0.68 1.57 4.81 -1.20 -0.18 114.58 119.45 2juw h GLU 13 Ca 0.39 0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.67 2juw h GLU 13 Cb 0.16 0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.62 2juw h GLU 13 CO -0.14 -0.35 0.45 0.66 -0.73 0.00 0.00 179.01 178.89 2juw h SER 14 N -0.54 0.75 0.11 1.04 4.64 -0.08 0.30 113.55 119.77 2juw h SER 14 Ca 0.05 -0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.35 2juw h SER 14 Cb 0.62 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 2juw h SER 14 CO -0.28 0.54 -0.05 -0.07 -0.87 0.00 0.00 176.83 176.10 2juw h LEU 15 N 0.88 -0.13 -0.50 5.97 4.07 -1.16 -2.56 115.31 121.88 2juw h LEU 15 Ca 0.25 -0.37 0.05 0.00 0.08 0.00 0.00 57.88 57.89 2juw h LEU 15 Cb -0.05 0.03 -0.05 0.00 1.08 0.00 0.00 40.66 41.68 2juw h LEU 15 CO -0.06 0.34 0.24 0.40 -1.08 0.00 0.00 178.44 178.28 2juw h ILE 16 N -0.64 0.94 -0.50 1.22 2.04 -0.62 -2.63 117.51 117.32 2juw h ILE 16 Ca -0.02 -0.16 0.03 0.00 1.00 0.00 0.00 64.86 65.71 2juw h ILE 16 Cb 0.50 0.43 -0.04 0.00 -0.74 0.00 0.00 36.82 36.97 2juw h ILE 16 CO 0.03 0.09 0.28 0.00 0.00 0.00 0.00 178.15 178.54 2juw h ALA 17 N 1.28 0.64 -0.19 1.87 0.00 -0.47 0.89 119.26 123.28 2juw h ALA 17 Ca 0.22 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 2juw h ALA 17 Cb 0.15 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2juw h ALA 17 CO -0.17 -0.03 0.07 1.49 0.00 0.00 0.00 179.25 180.60 2juw h GLU 18 N 0.56 0.28 -0.21 0.00 4.81 -1.10 0.79 114.58 119.70 2juw h GLU 18 Ca 0.21 -0.06 -0.16 0.00 -0.13 0.00 0.00 59.36 59.22 2juw h GLU 18 Cb 0.06 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 2juw h GLU 18 CO -0.11 0.37 -0.51 -0.84 -0.73 0.00 0.00 179.01 177.19 2juw h ILE 19 N 0.14 1.31 -0.50 2.32 3.07 -1.35 -2.61 117.51 119.89 2juw h ILE 19 Ca 0.06 -1.73 -0.04 0.00 1.55 0.00 0.00 64.86 64.70 2juw h ILE 19 Cb 0.20 1.69 -0.02 0.00 -0.27 0.00 0.00 36.82 38.42 2juw h ILE 19 CO -0.00 0.54 0.16 0.25 -1.05 0.00 0.00 178.15 178.05 2juw h LEU 20 N 0.47 0.72 -1.08 0.16 5.85 -0.59 -2.25 115.31 118.60 2juw h LEU 20 Ca 0.02 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.52 2juw h LEU 20 Cb 1.05 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.85 2juw h LEU 20 CO 0.10 0.73 0.43 0.58 -0.34 0.00 0.00 178.44 179.94 2juw h VAL 21 N 0.67 1.23 -0.26 1.05 2.07 -0.76 0.38 116.25 120.63 2juw h VAL 21 Ca 0.16 -0.56 0.03 0.00 0.82 0.00 0.00 66.70 67.16 2juw h VAL 21 Cb 0.26 0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 30.17 2juw h VAL 21 CO -0.01 0.25 0.07 0.58 0.02 0.00 0.00 177.57 178.49 2juw h VAL 22 N 1.08 0.91 -0.61 2.57 2.07 -1.12 0.28 116.25 121.43 2juw h VAL 22 Ca 0.28 -0.06 0.02 0.00 0.82 0.00 0.00 66.70 67.75 2juw h VAL 22 Cb 0.02 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 30.46 2juw h VAL 22 CO -0.05 0.03 0.38 -0.07 0.02 0.00 0.00 177.57 177.89 2juw h LEU 23 N 0.18 0.64 -0.34 2.57 3.38 -0.78 -2.59 115.31 118.37 2juw h LEU 23 Ca 0.12 -0.01 -0.19 0.00 0.09 0.00 0.00 57.88 57.89 2juw h LEU 23 Cb 0.10 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 2juw h LEU 23 CO -0.14 0.46 -0.84 -0.08 0.09 0.00 0.00 178.44 177.93 2juw h GLU 24 N 0.77 0.17 -0.44 1.13 4.57 -0.53 0.26 114.58 120.51 2juw h GLU 24 Ca 0.23 -0.18 -0.12 0.00 -1.18 0.00 0.00 59.36 58.12 2juw h GLU 24 Cb -0.03 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.60 2juw h GLU 24 CO -0.08 0.91 -0.20 0.87 -1.18 0.00 0.00 179.01 179.33 2juw h LYS 25 N 0.10 0.87 0.00 1.92 1.57 -0.32 -1.00 116.57 119.70 2juw h LYS 25 Ca -0.03 -0.35 0.00 0.00 -1.87 0.00 0.00 60.65 58.40 2juw h LYS 25 Cb 1.45 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.72 2juw h LYS 25 CO 0.13 0.99 0.00 0.72 -0.57 0.00 0.00 179.45 180.72 2juw n HIS 26 N -4.12 0.93 -3.51 -1.35 8.25 -0.99 -4.95 115.22 109.48 2juw n HIS 26 Ca 0.00 0.27 -0.22 0.00 -0.26 0.00 0.00 57.72 57.51 2juw n HIS 26 Cb 0.43 -0.95 0.04 0.00 1.12 0.00 0.00 29.99 30.63 2juw n HIS 26 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 2juw n LYS 27 N -2.26 -1.44 -2.25 -0.41 4.81 -0.03 -4.91 118.16 111.67 2juw n LYS 27 Ca 0.05 0.74 -0.42 0.00 -0.87 0.00 0.00 58.31 57.81 2juw n LYS 27 Cb 0.42 -4.50 -0.03 0.00 0.02 0.00 0.00 35.03 30.95 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 -3.31 3.59 1.15 3.14 0.00 -0.57 -5.01 121.76 120.75 2juw s ALA 28 Ca 0.34 0.79 -0.14 0.00 0.00 0.00 0.00 51.96 52.95 2juw s ALA 28 Cb -0.10 -3.61 0.24 0.00 0.00 0.00 0.00 23.12 19.64 2juw s ALA 28 CO 0.82 -1.00 0.77 -2.30 0.00 0.00 0.00 175.76 174.05 2juw n PRO 29 N 5.79 -2.14 -0.06 0.00 -0.02 -1.26 -4.48 135.00 132.83 2juw n PRO 29 Ca 0.14 -0.60 -0.07 0.00 -2.02 0.00 0.00 63.50 60.95 2juw n PRO 29 Cb 0.44 -2.06 -0.01 0.00 -0.02 0.00 0.00 33.50 31.85 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 -2.49 0.55 -0.38 3.45 2.02 -1.99 0.14 112.91 114.21 2juw h THR 30 Ca -0.59 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 66.48 2juw h THR 30 Cb 1.34 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 68.28 2juw h THR 30 CO 0.46 0.00 -0.23 -0.78 0.37 0.00 0.00 175.52 175.34 2juw h ASP 31 N -0.13 0.85 -0.44 4.18 3.58 -1.99 -1.57 116.42 120.90 2juw h ASP 31 Ca 0.14 -0.42 -0.02 0.00 0.42 0.00 0.00 57.03 57.15 2juw h ASP 31 Cb 0.35 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 41.14 2juw h ASP 31 CO -0.34 1.09 0.20 0.25 -2.88 0.00 0.00 179.24 177.56 2juw h LEU 32 N 0.62 0.57 -0.20 2.28 5.85 -1.78 -0.09 115.31 122.56 2juw h LEU 32 Ca 0.08 -0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.63 2juw h LEU 32 Cb 0.79 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.66 2juw h LEU 32 CO 0.06 0.55 0.00 0.77 -0.34 0.00 0.00 178.44 179.48 2juw h SER 33 N 0.56 0.34 -0.47 1.25 4.64 -0.67 0.40 113.55 119.60 2juw h SER 33 Ca 0.15 -0.31 0.04 0.00 -0.47 0.00 0.00 61.79 61.21 2juw h SER 33 Cb 0.13 -0.09 -0.04 0.00 -0.31 0.00 0.00 62.40 62.09 2juw h SER 33 CO -0.02 0.56 0.22 -0.07 -0.87 0.00 0.00 176.83 176.66 2juw h LEU 34 N 0.11 0.31 -0.44 5.97 3.38 -1.16 0.18 115.31 123.66 2juw h LEU 34 Ca 0.06 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 2juw h LEU 34 Cb 0.39 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 2juw h LEU 34 CO 0.01 0.22 0.17 -0.03 0.09 0.00 0.00 178.44 178.90 2juw h MET 35 N 0.44 0.65 -0.06 1.13 4.05 -0.88 0.12 114.93 120.38 2juw h MET 35 Ca 0.21 -0.12 -0.00 0.00 -0.28 0.00 0.00 59.70 59.50 2juw h MET 35 Cb 0.13 -0.11 -0.00 0.00 -0.80 0.00 0.00 31.60 30.83 2juw h MET 35 CO -0.16 0.60 0.02 0.00 0.23 0.00 0.00 176.91 177.60 2juw h ALA 36 N 1.02 0.07 -0.71 0.39 0.00 -0.46 -1.83 119.26 117.73 2juw h ALA 36 Ca 0.15 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2juw h ALA 36 Cb 0.19 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 2juw h ALA 36 CO -0.01 -0.33 0.36 -0.07 0.00 0.00 0.00 179.25 179.20 2juw h LEU 37 N -0.09 0.92 -0.05 0.00 -0.00 -0.58 -1.38 115.31 114.12 2juw h LEU 37 Ca 0.02 -0.12 0.02 0.00 -0.00 0.00 0.00 57.88 57.80 2juw h LEU 37 Cb 0.19 -0.24 -0.03 0.00 -0.00 0.00 0.00 40.66 40.59 2juw h LEU 37 CO -0.00 0.78 -0.09 1.23 -0.00 0.00 0.00 178.44 180.36 2juw h GLY 38 N 0.99 -0.07 1.12 0.83 0.00 -0.63 0.87 103.07 106.18 2juw h GLY 38 Ca 0.25 0.11 -0.00 0.00 0.00 0.00 0.00 47.33 47.69 2juw h GLY 38 CO -0.03 -0.10 0.54 3.43 0.00 0.00 0.00 176.54 180.37 2juw h ASN 39 N -0.14 1.03 0.05 0.19 2.35 -1.17 -1.21 115.58 116.68 2juw h ASN 39 Ca 0.05 -0.05 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2juw h ASN 39 Cb 0.21 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.33 2juw h ASN 39 CO -0.13 0.77 -0.02 0.00 -1.65 0.00 0.00 177.43 176.40 2juw h VAL 41 N -0.18 1.17 -0.02 0.00 2.07 -0.58 -1.00 116.25 117.71 2juw h VAL 41 Ca -0.01 -0.38 -0.09 0.00 0.82 0.00 0.00 66.70 67.04 2juw h VAL 41 Cb 0.16 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 2juw h VAL 41 CO 0.01 0.17 -0.42 0.74 0.02 0.00 0.00 177.57 178.10 2juw h THR 42 N 0.77 1.31 0.00 2.57 2.02 -1.12 -2.22 112.91 116.23 2juw h THR 42 Ca 0.21 -1.47 -0.10 0.00 0.77 0.00 0.00 66.41 65.82 2juw h THR 42 Cb -0.02 1.76 -0.01 0.00 -1.74 0.00 0.00 68.15 68.14 2juw h THR 42 CO -0.04 0.42 -0.49 -0.74 0.37 0.00 0.00 175.52 175.05 2juw h HIS 43 N 0.04 0.00 -0.65 3.16 6.17 -0.19 -2.69 115.15 120.99 2juw h HIS 43 Ca 0.00 0.00 -0.07 0.00 0.71 0.00 0.00 60.37 61.01 2juw h HIS 43 Cb 0.76 0.00 -0.03 0.00 2.52 0.00 0.00 27.41 30.67 2juw h HIS 43 CO 0.00 0.49 0.12 -0.07 0.71 0.00 0.00 177.93 179.18 2juw h LEU 44 N 0.00 0.99 -1.47 0.26 3.38 -0.57 -2.26 115.31 115.64 2juw h LEU 44 Ca -0.00 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 57.71 2juw h LEU 44 Cb 0.93 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 2juw h LEU 44 CO 0.06 0.98 -0.02 -0.07 0.09 0.00 0.00 178.44 179.48 2juw h LEU 45 N 0.99 0.29 -1.02 1.67 3.38 -1.34 -1.07 115.31 118.20 2juw h LEU 45 Ca 0.20 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 2juw h LEU 45 Cb 0.40 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 2juw h LEU 45 CO 0.01 0.36 -0.01 -0.33 0.09 0.00 0.00 178.44 178.57 2juw h GLU 46 N 0.31 0.00 0.02 1.13 4.39 -1.22 -2.35 114.58 116.86 2juw h GLU 46 Ca 0.07 0.00 -0.35 0.00 0.34 0.00 0.00 59.36 59.42 2juw h GLU 46 Cb 0.25 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.85 2juw h GLU 46 CO 0.01 0.01 -1.94 -2.13 -1.16 0.00 0.00 179.01 173.80 2juw n ARG 47 N -3.10 0.61 -0.00 2.33 0.63 -0.49 -4.74 116.66 111.90 2juw n ARG 47 Ca 0.02 0.38 0.02 0.00 -0.92 0.00 0.00 57.85 57.35 2juw n ARG 47 Cb 0.38 -1.63 -0.03 0.00 0.45 0.00 0.00 32.46 31.63 2juw n ARG 47 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 2juw n LYS 48 N -4.12 1.70 -4.07 -0.14 4.76 -0.69 -5.02 118.16 110.58 2juw n LYS 48 Ca -0.41 -0.03 -0.34 0.00 -2.87 0.00 0.00 58.31 54.65 2juw n LYS 48 Cb 0.84 -0.98 -0.10 0.00 -1.84 0.00 0.00 35.03 32.94 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 -2.04 4.57 0.56 -0.18 1.01 -0.88 -5.07 120.40 118.38 2juw s VAL 49 Ca -0.01 -0.11 -0.21 0.00 0.00 0.00 0.00 61.98 61.66 2juw s VAL 49 Cb 0.03 -3.06 -0.04 0.00 0.00 0.00 0.00 36.38 33.31 2juw s VAL 49 CO 0.17 0.46 1.29 -2.84 0.00 0.00 0.00 175.10 174.19 2juw s PRO 50 N 0.44 3.12 0.44 2.72 0.02 -1.26 -4.57 135.00 135.91 2juw s PRO 50 Ca 0.02 2.07 0.11 0.00 0.02 0.00 0.00 61.00 63.22 2juw s PRO 50 Cb -0.13 -2.16 1.00 0.00 0.02 0.00 0.00 34.50 33.23 2juw s PRO 50 CO 0.01 -1.16 2.06 0.77 -0.33 0.00 0.00 177.00 178.35 2juw h SER 51 N 1.32 0.34 -0.45 2.53 0.02 -1.98 0.62 113.55 115.94 2juw h SER 51 Ca -0.51 -0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.42 2juw h SER 51 Cb 1.30 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 63.73 2juw h SER 51 CO 0.57 0.23 0.23 -0.08 -1.14 0.00 0.00 176.83 176.64 2juw h GLU 52 N 0.39 0.68 0.00 3.45 4.81 -2.01 -2.74 114.58 119.16 2juw h GLU 52 Ca 0.15 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 2juw h GLU 52 Cb 0.13 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.37 2juw h GLU 52 CO -0.04 0.53 -1.20 0.43 -0.73 0.00 0.00 179.01 178.00 2juw n SER 53 N -4.39 0.59 -0.32 1.04 7.64 0.01 -4.29 113.62 113.90 2juw n SER 53 Ca 0.04 0.07 0.04 0.00 1.01 0.00 0.00 58.87 60.03 2juw n SER 53 Cb 0.12 0.88 0.19 0.00 -1.01 0.00 0.00 64.21 64.39 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 0.87 -0.03 1.43 3.08 -0.68 0.47 114.38 119.52 2juw h ARG 54 Ca 0.00 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 2juw h ARG 54 Cb 0.90 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.75 2juw h ARG 54 CO 0.00 0.57 -0.05 0.37 -1.07 0.00 0.00 179.97 179.79 2juw h GLN 55 N 0.89 0.08 -0.35 0.04 -0.00 -1.75 -2.02 115.11 112.01 2juw h GLN 55 Ca 0.44 -0.05 0.01 0.00 -0.00 0.00 0.00 58.65 59.04 2juw h GLN 55 Cb 0.39 0.01 -0.02 0.00 0.00 0.00 0.00 27.48 27.86 2juw h GLN 55 CO -0.25 0.62 0.22 0.00 0.00 0.00 0.00 178.83 179.42 2juw h ALA 56 N 0.46 0.45 -0.21 3.38 0.00 -1.58 0.12 119.26 121.88 2juw h ALA 56 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2juw h ALA 56 Cb 0.62 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2juw h ALA 56 CO 0.01 -0.12 0.13 0.28 0.00 0.00 0.00 179.25 179.56 2juw h VAL 57 N 0.45 1.07 -0.52 0.00 2.07 -0.15 -0.68 116.25 118.49 2juw h VAL 57 Ca 0.13 -0.14 -0.02 0.00 0.82 0.00 0.00 66.70 67.49 2juw h VAL 57 Cb -0.03 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 2juw h VAL 57 CO -0.05 0.06 0.22 0.00 0.02 0.00 0.00 177.57 177.83 2juw h ALA 58 N 1.06 1.42 -0.12 1.67 0.00 -1.01 0.40 119.26 122.67 2juw h ALA 58 Ca 0.08 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2juw h ALA 58 Cb -0.01 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 2juw h ALA 58 CO -0.02 0.45 0.01 1.49 0.00 0.00 0.00 179.25 181.19 2juw h GLU 59 N 0.73 0.21 -0.18 0.00 4.57 -0.31 -0.82 114.58 118.78 2juw h GLU 59 Ca 0.18 -0.06 -0.14 0.00 -1.18 0.00 0.00 59.36 58.16 2juw h GLU 59 Cb 0.12 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.68 2juw h GLU 59 CO -0.02 0.42 -0.48 1.96 -1.18 0.00 0.00 179.01 179.71 2juw h GLN 60 N -0.03 0.47 -0.19 1.92 4.20 -0.79 -2.32 115.11 118.37 2juw h GLN 60 Ca 0.04 -0.27 0.03 0.00 0.06 0.00 0.00 58.65 58.51 2juw h GLN 60 Cb 0.31 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.08 2juw h GLN 60 CO 0.00 0.85 -0.01 0.35 -0.67 0.00 0.00 178.83 179.35 2juw h PHE 61 N 0.38 -0.03 -0.70 2.96 3.04 -0.08 0.18 116.94 122.69 2juw h PHE 61 Ca 0.02 0.01 0.02 0.00 3.98 0.00 0.00 57.97 62.01 2juw h PHE 61 Cb 0.98 0.04 -0.04 0.00 2.56 0.00 0.00 35.95 39.49 2juw h PHE 61 CO 0.03 -0.04 0.44 0.00 -2.02 0.00 0.00 178.31 176.73 2juw h ALA 62 N 1.16 0.90 0.00 2.41 0.00 -1.02 -1.65 119.26 121.07 2juw h ALA 62 Ca 0.09 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 2juw h ALA 62 Cb 0.11 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2juw h ALA 62 CO -0.16 0.24 -0.38 -0.22 0.00 0.00 0.00 179.25 178.73 2juw h LYS 63 N 0.88 0.00 -0.64 0.00 3.64 -0.94 -2.39 116.57 117.12 2juw h LYS 63 Ca 0.27 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.58 2juw h LYS 63 Cb -0.02 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.78 2juw h LYS 63 CO -0.09 0.38 0.12 0.00 -2.27 0.00 0.00 179.45 177.59 2juw h ALA 64 N 1.62 0.85 -0.72 5.00 0.00 0.26 -2.02 119.26 124.25 2juw h ALA 64 Ca -0.00 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.60 2juw h ALA 64 Cb 0.70 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 2juw h ALA 64 CO 0.05 0.60 0.25 -0.07 0.00 0.00 0.00 179.25 180.08 2juw h LEU 65 N 0.97 1.03 -0.81 0.00 3.38 -0.90 -0.91 115.31 118.07 2juw h LEU 65 Ca 0.20 -0.19 0.02 0.00 0.09 0.00 0.00 57.88 57.99 2juw h LEU 65 Cb 0.41 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 2juw h LEU 65 CO 0.01 0.94 0.53 0.00 0.09 0.00 0.00 178.44 180.02 2juw h ALA 66 N 1.12 1.05 -0.11 1.53 0.00 -1.21 -1.42 119.26 120.21 2juw h ALA 66 Ca 0.24 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 55.00 2juw h ALA 66 Cb 0.27 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2juw h ALA 66 CO -0.01 0.40 -0.38 1.96 0.00 0.00 0.00 179.25 181.22 2juw h GLN 67 N 1.07 0.23 -0.48 0.00 1.08 -0.88 -1.96 115.11 114.17 2juw h GLN 67 Ca 0.31 -0.10 -0.06 0.00 -1.45 0.00 0.00 58.65 57.35 2juw h GLN 67 Cb -0.07 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.33 2juw h GLN 67 CO -0.08 0.59 0.08 0.77 -0.95 0.00 0.00 178.83 179.23 2juw h SER 68 N 0.20 0.77 -0.40 1.46 0.02 -0.38 0.97 113.55 116.18 2juw h SER 68 Ca 0.02 -0.26 -0.00 0.00 -0.84 0.00 0.00 61.79 60.70 2juw h SER 68 Cb 0.77 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 63.09 2juw h SER 68 CO 0.06 0.84 0.23 0.58 -1.14 0.00 0.00 176.83 177.40 2juw h VAL 69 N 0.68 1.14 -0.35 2.27 2.07 -1.04 -2.12 116.25 118.89 2juw h VAL 69 Ca 0.15 -0.34 0.01 0.00 0.82 0.00 0.00 66.70 67.34 2juw h VAL 69 Cb 0.39 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 2juw h VAL 69 CO 0.01 0.14 0.21 0.11 0.02 0.00 0.00 177.57 178.06 2juw h LYS 70 N 0.52 0.41 -0.59 1.57 1.57 -1.09 -2.73 116.57 116.23 2juw h LYS 70 Ca 0.14 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.88 2juw h LYS 70 Cb 0.03 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.21 2juw h LYS 70 CO -0.02 0.27 0.30 1.03 -0.57 0.00 0.00 179.45 180.46 2juw h SER 71 N 0.43 0.74 0.69 0.86 0.87 -0.58 -1.54 113.55 115.02 2juw h SER 71 Ca 0.13 -0.07 -0.09 0.00 -1.23 0.00 0.00 61.79 60.54 2juw h SER 71 Cb -0.01 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 61.75 2juw h SER 71 CO -0.06 0.62 -0.42 -1.13 -0.53 0.00 0.00 176.83 175.32 2juw h ASN 72 N 0.83 0.00 0.45 6.23 -1.24 -1.15 -2.61 115.58 118.09 2juw h ASN 72 Ca 0.21 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.22 2juw h ASN 72 Cb 0.07 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.12 2juw h ASN 72 CO -0.03 0.42 -0.13 0.18 -1.29 0.00 0.00 177.43 176.58 2juw n LEU 73 N -3.68 0.41 -4.54 0.34 4.77 -0.62 -4.77 117.00 108.91 2juw n LEU 73 Ca -0.01 0.07 -0.36 0.00 -0.03 0.00 0.00 56.01 55.68 2juw n LEU 73 Cb 0.50 -0.23 -0.11 0.00 -2.33 0.00 0.00 43.42 41.25 2juw n LEU 73 CO 0.38 0.08 -0.24 -0.70 -1.33 0.00 0.00 177.39 175.58 2juw s GLU 74 N -2.58 3.83 -0.18 3.23 2.12 -0.98 -4.92 118.70 119.21 2juw s GLU 74 Ca 0.26 -0.39 0.16 0.00 0.36 0.00 0.00 54.97 55.35 2juw s GLU 74 Cb 0.20 -3.40 0.43 0.00 0.26 0.00 0.00 34.13 31.62 2juw s GLU 74 CO 0.50 -0.07 1.32 1.58 -0.54 0.00 0.00 175.26 178.05 2juw n HIS 75 N 4.61 0.56 -1.55 5.30 -0.00 -1.26 -4.96 115.22 117.91 2juw n HIS 75 Ca -0.16 -1.08 -0.29 0.00 -0.00 0.00 0.00 57.72 56.19 2juw n HIS 75 Cb 0.52 -0.28 0.16 0.00 -0.00 0.00 0.00 29.99 30.39 2juw n HIS 75 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2juw s HIS 76 N -2.95 1.94 0.08 1.57 3.76 -1.26 -4.92 115.29 113.51 2juw s HIS 76 Ca 0.39 0.66 0.00 0.00 -0.15 0.00 0.00 55.06 55.96 2juw s HIS 76 Cb 0.33 -3.57 0.00 0.00 1.11 0.00 0.00 32.58 30.46 2juw s HIS 76 CO 0.04 -2.70 0.00 0.72 -0.85 0.00 0.00 174.74 171.95 2juw n HIS 77 N -3.94 -1.25 0.03 1.40 8.25 -1.26 -4.97 115.22 113.49 2juw n HIS 77 Ca 0.10 0.69 -0.22 0.00 -0.26 0.00 0.00 57.72 58.03 2juw n HIS 77 Cb 0.59 -2.22 -0.14 0.00 1.12 0.00 0.00 29.99 29.34 2juw n HIS 77 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2juw h HIS 78 N 0.92 0.54 -2.43 4.41 2.76 -2.06 -3.47 115.15 115.82 2juw h HIS 78 Ca 0.00 -0.40 -0.08 0.00 -2.20 0.00 0.00 60.37 57.69 2juw h HIS 78 Cb 0.00 -0.02 -0.21 0.00 1.55 0.00 0.00 27.41 28.73 2juw h HIS 78 CO 0.00 1.56 -0.04 -1.58 -1.30 0.00 0.00 177.93 176.58 2juw s HIS 79 N -2.50 -0.51 -2.63 5.26 5.65 -1.26 -5.29 115.29 114.00 2juw s HIS 79 Ca -0.18 1.05 0.27 0.00 0.25 0.00 0.00 55.06 56.45 2juw s HIS 79 Cb 0.04 0.25 0.82 0.00 -1.18 0.00 0.00 32.58 32.51 2juw s HIS 79 CO 0.80 -0.42 1.62 0.72 -0.65 0.00 0.00 174.74 176.80