#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 2.44 -2.83 3.04 0.00 -1.26 -5.06 120.51 116.84 2juw n ALA 2 Ca 0.00 -1.85 -0.44 0.00 0.00 0.00 0.00 53.44 51.15 2juw n ALA 2 Cb 0.00 -0.63 -0.05 0.00 0.00 0.00 0.00 19.45 18.77 2juw n ALA 2 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 2juw s ILE 3 N 0.00 4.68 -0.02 0.00 1.10 -1.26 -5.00 121.20 120.70 2juw s ILE 3 Ca 0.23 -0.43 0.01 0.00 -0.51 0.00 0.00 60.65 59.94 2juw s ILE 3 Cb 0.27 -4.45 0.01 0.00 0.15 0.00 0.00 42.46 38.44 2juw s ILE 3 CO -0.12 -1.05 -0.02 0.00 -2.11 0.00 0.00 174.94 171.65 2juw s GLN 4 N 3.14 0.31 -0.52 3.50 -2.07 -1.26 -5.11 119.66 117.65 2juw s GLN 4 Ca 0.18 -0.02 -0.23 0.00 -1.82 0.00 0.00 55.36 53.47 2juw s GLN 4 Cb -0.19 -0.39 0.04 0.00 -1.09 0.00 0.00 33.01 31.38 2juw s GLN 4 CO 0.12 -0.04 0.86 -1.12 -1.32 0.00 0.00 175.29 173.79 2juw s SER 5 N 0.50 6.35 -0.02 12.60 0.01 -1.26 -4.75 113.70 127.12 2juw s SER 5 Ca -0.05 -0.36 0.06 0.00 1.31 0.00 0.00 55.95 56.92 2juw s SER 5 Cb -0.08 -2.41 0.11 0.00 0.21 0.00 0.00 66.02 63.85 2juw s SER 5 CO -0.01 -1.11 1.05 2.29 0.41 0.00 0.00 173.24 175.87 2juw n LYS 6 N 7.11 0.17 0.00 12.44 0.00 -1.26 -5.10 118.16 131.52 2juw n LYS 6 Ca 0.01 -1.38 0.00 0.00 -0.00 0.00 0.00 58.31 56.94 2juw n LYS 6 Cb 0.47 -0.55 0.00 0.00 -0.00 0.00 0.00 35.03 34.95 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 -0.10 0.00 -1.05 5.58 4.11 -1.26 -4.80 117.16 119.64 2juw n TYR 7 Ca 0.03 0.00 -0.33 0.00 -0.00 0.00 0.00 57.90 57.60 2juw n TYR 7 Cb 0.76 0.00 0.13 0.00 -0.00 0.00 0.00 39.34 40.24 2juw n TYR 7 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.86 175.74 2juw s SER 8 N 0.00 3.50 0.48 9.48 0.01 -1.26 -4.77 113.70 121.14 2juw s SER 8 Ca 0.00 2.32 0.14 0.00 1.31 0.00 0.00 55.95 59.72 2juw s SER 8 Cb 0.00 -2.58 1.15 0.00 0.21 0.00 0.00 66.02 64.80 2juw s SER 8 CO 0.00 -2.73 2.09 0.78 0.41 0.00 0.00 173.24 173.79 2juw h ASN 9 N -1.09 0.16 -0.88 2.44 -0.26 -1.99 -0.21 115.58 113.75 2juw h ASN 9 Ca -0.46 -0.00 0.04 0.00 -0.56 0.00 0.00 56.30 55.32 2juw h ASN 9 Cb 1.29 -0.04 -0.05 0.00 -1.06 0.00 0.00 38.32 38.46 2juw h ASN 9 CO 0.45 0.11 0.58 0.74 -1.06 0.00 0.00 177.43 178.25 2juw h THR 10 N 0.19 1.14 -0.11 2.81 2.02 -1.98 0.36 112.91 117.34 2juw h THR 10 Ca 0.10 -0.37 -0.05 0.00 0.77 0.00 0.00 66.41 66.85 2juw h THR 10 Cb 0.15 -0.04 -0.00 0.00 -1.74 0.00 0.00 68.15 66.52 2juw h THR 10 CO -0.02 0.20 -0.14 -0.61 0.37 0.00 0.00 175.52 175.33 2juw h GLN 11 N 1.09 0.28 -0.27 6.66 4.15 -1.39 -1.38 115.11 124.25 2juw h GLN 11 Ca 0.35 -0.16 0.02 0.00 0.77 0.00 0.00 58.65 59.62 2juw h GLN 11 Cb 0.03 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.71 2juw h GLN 11 CO -0.11 0.72 0.14 0.28 -1.93 0.00 0.00 178.83 177.93 2juw h VAL 12 N -0.13 1.00 -0.76 2.39 2.07 -1.02 -0.89 116.25 118.91 2juw h VAL 12 Ca 0.01 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.43 2juw h VAL 12 Cb 0.68 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 31.09 2juw h VAL 12 CO 0.03 0.05 0.48 -0.08 0.02 0.00 0.00 177.57 178.07 2juw h GLU 13 N 0.30 1.01 -0.19 1.57 4.81 -0.29 -1.09 114.58 120.70 2juw h GLU 13 Ca 0.11 -0.08 -0.14 0.00 -0.13 0.00 0.00 59.36 59.12 2juw h GLU 13 Cb 0.02 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.17 2juw h GLU 13 CO -0.07 0.70 -0.46 0.66 -0.73 0.00 0.00 179.01 179.11 2juw h SER 14 N 1.03 0.52 -0.56 1.04 4.64 -0.98 -1.34 113.55 117.90 2juw h SER 14 Ca 0.27 -0.25 -0.01 0.00 -0.47 0.00 0.00 61.79 61.34 2juw h SER 14 Cb -0.07 -0.15 -0.03 0.00 -0.31 0.00 0.00 62.40 61.85 2juw h SER 14 CO -0.05 0.90 0.31 -0.07 -0.87 0.00 0.00 176.83 177.05 2juw h LEU 15 N 0.39 0.69 -0.68 5.97 4.07 -0.71 -0.55 115.31 124.49 2juw h LEU 15 Ca 0.02 -0.09 0.05 0.00 0.08 0.00 0.00 57.88 57.95 2juw h LEU 15 Cb 0.96 -0.18 -0.05 0.00 1.08 0.00 0.00 40.66 42.47 2juw h LEU 15 CO 0.08 0.58 0.40 0.40 -1.08 0.00 0.00 178.44 178.82 2juw h ILE 16 N 0.75 1.01 -0.89 1.22 2.04 -0.87 -1.85 117.51 118.92 2juw h ILE 16 Ca 0.20 -0.25 -0.00 0.00 1.00 0.00 0.00 64.86 65.80 2juw h ILE 16 Cb 0.03 0.20 -0.04 0.00 -0.74 0.00 0.00 36.82 36.27 2juw h ILE 16 CO -0.03 0.14 0.54 0.00 0.00 0.00 0.00 178.15 178.79 2juw h ALA 17 N 1.33 1.27 -0.32 1.87 0.00 -0.72 -0.09 119.26 122.61 2juw h ALA 17 Ca 0.30 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.15 2juw h ALA 17 Cb 0.14 -0.36 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 2juw h ALA 17 CO -0.16 0.63 0.08 0.93 0.00 0.00 0.00 179.25 180.73 2juw h GLU 18 N 1.23 0.20 -0.21 0.00 4.39 -0.31 -0.19 114.58 119.69 2juw h GLU 18 Ca 0.32 -0.01 -0.11 0.00 0.34 0.00 0.00 59.36 59.90 2juw h GLU 18 Cb -0.06 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.53 2juw h GLU 18 CO -0.06 0.13 -0.35 0.82 -1.16 0.00 0.00 179.01 178.39 2juw h ILE 19 N 0.21 1.29 -0.68 3.13 2.04 -0.84 -2.21 117.51 120.45 2juw h ILE 19 Ca 0.15 -1.44 -0.05 0.00 1.00 0.00 0.00 64.86 64.52 2juw h ILE 19 Cb 0.14 1.52 -0.03 0.00 -0.74 0.00 0.00 36.82 37.71 2juw h ILE 19 CO -0.17 0.45 0.24 -0.07 0.00 0.00 0.00 178.15 178.60 2juw h LEU 20 N 0.37 0.95 -1.01 1.44 3.38 -0.50 -1.43 115.31 118.51 2juw h LEU 20 Ca 0.04 -0.15 0.01 0.00 0.09 0.00 0.00 57.88 57.87 2juw h LEU 20 Cb 0.79 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 41.25 2juw h LEU 20 CO 0.06 0.86 0.65 0.58 0.09 0.00 0.00 178.44 180.69 2juw h VAL 21 N 1.00 1.26 0.32 1.22 2.07 -0.45 0.48 116.25 122.15 2juw h VAL 21 Ca 0.23 -0.48 -0.02 0.00 0.82 0.00 0.00 66.70 67.25 2juw h VAL 21 Cb 0.24 -0.19 0.00 0.00 -1.52 0.00 0.00 31.29 29.82 2juw h VAL 21 CO -0.01 0.25 -0.16 0.58 0.02 0.00 0.00 177.57 178.25 2juw h VAL 22 N 1.34 0.70 -0.43 2.57 2.07 -0.96 0.33 116.25 121.87 2juw h VAL 22 Ca 0.36 -0.14 0.08 0.00 0.82 0.00 0.00 66.70 67.82 2juw h VAL 22 Cb -0.14 0.77 -0.07 0.00 -1.52 0.00 0.00 31.29 30.33 2juw h VAL 22 CO -0.08 0.03 0.01 -0.07 0.02 0.00 0.00 177.57 177.48 2juw h LEU 23 N -0.51 -0.15 -0.79 2.57 3.38 -0.99 -2.15 115.31 116.67 2juw h LEU 23 Ca -0.04 0.10 -0.11 0.00 0.09 0.00 0.00 57.88 57.91 2juw h LEU 23 Cb 0.38 0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 2juw h LEU 23 CO 0.07 -0.04 -0.52 -0.08 0.09 0.00 0.00 178.44 177.96 2juw h GLU 24 N 0.12 0.00 -0.86 1.13 4.81 -0.80 -0.82 114.58 118.16 2juw h GLU 24 Ca 0.21 0.00 0.09 0.00 -0.13 0.00 0.00 59.36 59.53 2juw h GLU 24 Cb 0.30 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.62 2juw h GLU 24 CO -0.34 0.52 0.56 -0.22 -0.73 0.00 0.00 179.01 178.80 2juw h LYS 25 N 0.00 0.85 -0.02 1.92 3.64 0.34 -0.38 116.57 122.91 2juw h LYS 25 Ca -0.01 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2juw h LYS 25 Cb 1.04 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.67 2juw h LYS 25 CO 0.07 0.56 -0.09 0.72 -2.27 0.00 0.00 179.45 178.45 2juw n HIS 26 N -4.51 0.00 -3.64 1.91 8.25 -1.13 -4.99 115.22 111.10 2juw n HIS 26 Ca 0.14 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.34 2juw n HIS 26 Cb 0.28 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.43 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 0.90 -2.41 -2.36 -0.41 4.81 -0.15 -4.91 118.16 113.63 2juw n LYS 27 Ca 0.11 0.55 -0.42 0.00 -0.87 0.00 0.00 58.31 57.68 2juw n LYS 27 Cb 0.49 -4.67 -0.03 0.00 0.02 0.00 0.00 35.03 30.85 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 -3.54 3.55 1.21 3.14 0.00 -0.43 -5.01 121.76 120.68 2juw s ALA 28 Ca 0.32 0.70 -0.16 0.00 0.00 0.00 0.00 51.96 52.83 2juw s ALA 28 Cb -0.10 -3.56 0.29 0.00 0.00 0.00 0.00 23.12 19.75 2juw s ALA 28 CO 0.83 -0.88 1.02 -1.25 0.00 0.00 0.00 175.76 175.49 2juw s PRO 29 N 2.46 -1.31 0.24 0.00 0.04 -1.26 -4.52 135.00 130.66 2juw s PRO 29 Ca 0.59 0.47 -0.06 0.00 0.04 0.00 0.00 61.00 62.04 2juw s PRO 29 Cb -0.27 -1.54 0.31 0.00 0.04 0.00 0.00 34.50 33.04 2juw s PRO 29 CO 0.23 -3.88 1.88 1.15 0.04 0.00 0.00 177.00 176.42 2juw h THR 30 N -2.72 1.12 -0.01 1.26 2.02 -1.98 0.26 112.91 112.85 2juw h THR 30 Ca -0.54 -0.38 0.02 0.00 0.77 0.00 0.00 66.41 66.27 2juw h THR 30 Cb 1.33 -0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 67.63 2juw h THR 30 CO 0.45 0.20 -0.08 0.44 0.37 0.00 0.00 175.52 176.90 2juw h ASP 31 N 1.11 -0.24 0.10 4.18 5.19 -2.00 -1.53 116.42 123.23 2juw h ASP 31 Ca 0.37 0.04 -0.19 0.00 -0.62 0.00 0.00 57.03 56.63 2juw h ASP 31 Cb 0.05 0.11 -0.00 0.00 0.18 0.00 0.00 39.33 39.67 2juw h ASP 31 CO -0.14 -0.12 -0.72 0.25 -3.12 0.00 0.00 179.24 175.39 2juw h LEU 32 N -0.14 0.65 -0.16 1.55 5.85 -1.71 -2.00 115.31 119.36 2juw h LEU 32 Ca 0.04 -0.42 -0.03 0.00 0.84 0.00 0.00 57.88 58.31 2juw h LEU 32 Cb 0.19 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 2juw h LEU 32 CO -0.10 1.17 -0.00 0.77 -0.34 0.00 0.00 178.44 179.94 2juw h SER 33 N 0.38 0.28 -0.89 1.25 4.64 -0.45 0.31 113.55 119.08 2juw h SER 33 Ca -0.03 -0.32 0.02 0.00 -0.47 0.00 0.00 61.79 60.99 2juw h SER 33 Cb 1.31 -0.07 -0.05 0.00 -0.31 0.00 0.00 62.40 63.28 2juw h SER 33 CO 0.13 0.53 0.58 -0.07 -0.87 0.00 0.00 176.83 177.13 2juw h LEU 34 N 0.02 1.00 0.06 5.97 3.38 -1.30 0.98 115.31 125.41 2juw h LEU 34 Ca 0.04 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 2juw h LEU 34 Cb 0.39 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.89 2juw h LEU 34 CO 0.01 0.71 -0.03 -0.03 0.09 0.00 0.00 178.44 179.19 2juw h MET 35 N 1.18 -0.08 -0.05 1.13 4.05 -1.10 -0.41 114.93 119.65 2juw h MET 35 Ca 0.33 0.01 -0.00 0.00 -0.28 0.00 0.00 59.70 59.76 2juw h MET 35 Cb -0.10 0.02 -0.00 0.00 -0.80 0.00 0.00 31.60 30.72 2juw h MET 35 CO -0.08 0.12 0.03 0.00 0.23 0.00 0.00 176.91 177.20 2juw h ALA 36 N 0.67 0.06 -0.05 0.39 0.00 -0.13 -1.07 119.26 119.14 2juw h ALA 36 Ca -0.01 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.88 2juw h ALA 36 Cb 0.23 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2juw h ALA 36 CO 0.01 -0.40 -0.09 -0.07 0.00 0.00 0.00 179.25 178.71 2juw h LEU 37 N -0.01 -0.26 -0.02 0.00 -0.00 -0.81 -1.39 115.31 112.81 2juw h LEU 37 Ca 0.02 0.05 0.02 0.00 -0.00 0.00 0.00 57.88 57.97 2juw h LEU 37 Cb 0.08 0.12 -0.03 0.00 -0.00 0.00 0.00 40.66 40.84 2juw h LEU 37 CO -0.00 -0.12 -0.12 1.23 -0.00 0.00 0.00 178.44 179.43 2juw h GLY 38 N -0.13 -0.13 1.71 0.83 0.00 -0.94 -0.78 103.07 103.63 2juw h GLY 38 Ca 0.05 0.14 -0.03 0.00 0.00 0.00 0.00 47.33 47.49 2juw h GLY 38 CO -0.12 -0.12 0.05 3.43 0.00 0.00 0.00 176.54 179.78 2juw h ASN 39 N -0.19 0.34 0.00 0.19 2.35 -1.05 -0.41 115.58 116.80 2juw h ASN 39 Ca 0.05 -0.04 -0.00 0.00 -0.55 0.00 0.00 56.30 55.76 2juw h ASN 39 Cb 0.26 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.54 2juw h ASN 39 CO -0.13 0.36 -0.00 0.00 -1.65 0.00 0.00 177.43 176.01 2juw h VAL 41 N -0.43 1.00 -0.43 0.00 2.07 -0.66 0.18 116.25 117.98 2juw h VAL 41 Ca -0.00 -0.20 -0.03 0.00 0.82 0.00 0.00 66.70 67.29 2juw h VAL 41 Cb 0.43 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 2juw h VAL 41 CO 0.00 0.11 0.16 0.74 0.02 0.00 0.00 177.57 178.59 2juw h THR 42 N 0.58 1.21 -0.05 2.57 2.02 -1.11 -0.66 112.91 117.48 2juw h THR 42 Ca 0.23 -0.66 -0.11 0.00 0.77 0.00 0.00 66.41 66.64 2juw h THR 42 Cb 0.10 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 67.33 2juw h THR 42 CO -0.14 0.24 -0.49 1.12 0.37 0.00 0.00 175.52 176.63 2juw h HIS 43 N 0.55 0.14 0.00 3.16 -0.00 -0.56 -1.28 115.15 117.16 2juw h HIS 43 Ca 0.14 -0.04 0.00 0.00 -0.00 0.00 0.00 60.37 60.47 2juw h HIS 43 Cb 0.22 -0.03 0.00 0.00 -0.00 0.00 0.00 27.41 27.60 2juw h HIS 43 CO 0.01 0.59 -0.58 1.37 -0.00 0.00 0.00 177.93 179.32 2juw h LEU 44 N 0.10 0.00 -0.63 6.12 8.10 -0.90 -2.47 115.31 125.63 2juw h LEU 44 Ca 0.00 -0.02 -0.14 0.00 0.11 0.00 0.00 57.88 57.84 2juw h LEU 44 Cb 0.90 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.11 2juw h LEU 44 CO 0.07 0.01 -0.38 0.25 -4.11 0.00 0.00 178.44 174.28 2juw h LEU 45 N 0.00 0.69 -0.19 0.17 6.46 -0.44 0.90 115.31 122.89 2juw h LEU 45 Ca 0.00 -0.30 -0.22 0.00 -0.12 0.00 0.00 57.88 57.24 2juw h LEU 45 Cb 0.97 -0.19 0.00 0.00 -0.73 0.00 0.00 40.66 40.71 2juw h LEU 45 CO 0.00 1.00 -0.91 -0.33 -0.62 0.00 0.00 178.44 177.58 2juw h GLU 46 N 0.54 0.46 0.10 1.25 5.08 -1.26 -2.80 114.58 117.96 2juw h GLU 46 Ca 0.05 -0.47 -0.23 0.00 -1.00 0.00 0.00 59.36 57.71 2juw h GLU 46 Cb 0.90 0.13 -0.00 0.00 0.50 0.00 0.00 28.75 30.27 2juw h GLU 46 CO 0.08 1.11 -1.17 -0.09 -1.00 0.00 0.00 179.01 177.94 2juw h ARG 47 N 0.27 0.21 0.00 2.33 9.65 -1.35 -3.37 114.38 122.12 2juw h ARG 47 Ca -0.07 -0.36 -0.02 0.00 -1.10 0.00 0.00 59.98 58.43 2juw h ARG 47 Cb 1.53 0.13 -0.00 0.00 -1.39 0.00 0.00 29.97 30.24 2juw h ARG 47 CO 0.16 1.17 -1.08 1.63 2.80 0.00 0.00 179.97 184.66 2juw n LYS 48 N -4.06 0.61 -4.52 0.20 4.76 0.30 -4.82 118.16 110.63 2juw n LYS 48 Ca -0.22 0.13 -0.33 0.00 -2.87 0.00 0.00 58.31 55.01 2juw n LYS 48 Cb 0.83 -1.82 -0.13 0.00 -1.84 0.00 0.00 35.03 32.08 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 -3.32 3.68 0.77 -0.18 1.01 -1.05 -5.05 120.40 116.25 2juw s VAL 49 Ca -0.01 -0.44 -0.14 0.00 0.00 0.00 0.00 61.98 61.39 2juw s VAL 49 Cb 0.10 -2.59 0.06 0.00 0.00 0.00 0.00 36.38 33.95 2juw s VAL 49 CO 0.80 0.51 1.22 -2.16 0.00 0.00 0.00 175.10 175.47 2juw s PRO 50 N 0.23 1.83 0.24 2.72 0.04 -1.26 -4.51 135.00 134.29 2juw s PRO 50 Ca -0.04 1.80 -0.04 0.00 0.04 0.00 0.00 61.00 62.76 2juw s PRO 50 Cb -0.14 -1.79 0.40 0.00 0.04 0.00 0.00 34.50 33.01 2juw s PRO 50 CO 0.03 -2.08 1.79 0.77 0.04 0.00 0.00 177.00 177.55 2juw h SER 51 N -0.62 0.60 -0.23 6.66 0.02 -1.93 -0.98 113.55 117.06 2juw h SER 51 Ca -0.47 0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 60.53 2juw h SER 51 Cb 1.30 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.78 2juw h SER 51 CO 0.48 0.33 0.13 -0.33 -1.14 0.00 0.00 176.83 176.29 2juw h GLU 52 N 0.72 0.35 -0.01 3.45 4.39 -2.02 -2.30 114.58 119.16 2juw h GLU 52 Ca 0.40 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 60.07 2juw h GLU 52 Cb 0.41 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 2juw h GLU 52 CO -0.27 0.27 -0.66 0.43 -1.16 0.00 0.00 179.01 177.61 2juw n SER 53 N -4.46 1.23 0.00 1.42 7.64 -0.47 -4.40 113.62 114.59 2juw n SER 53 Ca 0.01 -1.02 -0.11 0.00 1.01 0.00 0.00 58.87 58.76 2juw n SER 53 Cb 0.10 0.61 -0.05 0.00 -1.01 0.00 0.00 64.21 63.86 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 0.90 0.07 -0.17 1.43 3.08 -0.69 -0.18 114.38 118.82 2juw h ARG 54 Ca 0.00 -0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.95 2juw h ARG 54 Cb 0.58 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.60 2juw h ARG 54 CO 0.00 0.05 -0.31 1.96 -1.07 0.00 0.00 179.97 180.60 2juw h GLN 55 N 0.08 0.34 0.02 0.04 4.20 -1.77 -0.71 115.11 117.31 2juw h GLN 55 Ca 0.04 -0.14 -0.00 0.00 0.06 0.00 0.00 58.65 58.61 2juw h GLN 55 Cb 0.02 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.78 2juw h GLN 55 CO -0.04 0.62 -0.01 0.00 -0.67 0.00 0.00 178.83 178.73 2juw h ALA 56 N 1.38 -0.03 0.00 3.87 0.00 -1.67 -2.38 119.26 120.44 2juw h ALA 56 Ca 0.04 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 2juw h ALA 56 Cb 0.70 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 2juw h ALA 56 CO 0.05 -0.34 -0.24 -0.39 0.00 0.00 0.00 179.25 178.33 2juw h VAL 57 N -0.38 0.59 -0.27 0.00 -1.51 -0.99 -1.88 116.25 111.80 2juw h VAL 57 Ca -0.00 -1.18 -0.03 0.00 -1.23 0.00 0.00 66.70 64.25 2juw h VAL 57 Cb 0.37 1.79 -0.01 0.00 -2.13 0.00 0.00 31.29 31.31 2juw h VAL 57 CO 0.00 0.24 0.03 0.00 -1.23 0.00 0.00 177.57 176.62 2juw h ALA 58 N 1.76 0.36 -0.31 5.19 0.00 -1.01 0.41 119.26 125.65 2juw h ALA 58 Ca -0.00 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 2juw h ALA 58 Cb 0.78 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 2juw h ALA 58 CO 0.03 0.06 0.05 0.93 0.00 0.00 0.00 179.25 180.32 2juw h GLU 59 N 0.27 0.51 -0.36 0.00 4.39 -1.19 -2.05 114.58 116.15 2juw h GLU 59 Ca 0.08 -0.14 -0.09 0.00 0.34 0.00 0.00 59.36 59.55 2juw h GLU 59 Cb 0.35 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.93 2juw h GLU 59 CO 0.01 0.61 -0.13 1.96 -1.16 0.00 0.00 179.01 180.30 2juw h GLN 60 N 0.34 0.72 -0.04 2.33 4.20 -1.26 0.16 115.11 121.55 2juw h GLN 60 Ca 0.09 -0.29 0.00 0.00 0.06 0.00 0.00 58.65 58.51 2juw h GLN 60 Cb 0.34 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.09 2juw h GLN 60 CO 0.01 0.89 0.02 0.35 -0.67 0.00 0.00 178.83 179.43 2juw h PHE 61 N 0.50 0.04 -0.49 2.96 3.57 -0.20 0.40 116.94 123.73 2juw h PHE 61 Ca 0.08 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.56 2juw h PHE 61 Cb 0.66 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.36 2juw h PHE 61 CO 0.05 0.02 0.20 0.00 -2.23 0.00 0.00 178.31 176.36 2juw h ALA 62 N 1.02 1.43 0.23 2.41 0.00 -1.30 0.21 119.26 123.27 2juw h ALA 62 Ca 0.02 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2juw h ALA 62 Cb 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.59 2juw h ALA 62 CO -0.01 0.43 -0.11 -0.22 0.00 0.00 0.00 179.25 179.34 2juw h LYS 63 N 0.69 -0.30 -0.69 0.00 1.63 0.01 0.12 116.57 118.04 2juw h LYS 63 Ca 0.17 0.02 -0.05 0.00 -0.85 0.00 0.00 60.65 59.94 2juw h LYS 63 Cb 0.13 0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 31.80 2juw h LYS 63 CO -0.02 -0.12 0.24 0.00 -3.45 0.00 0.00 179.45 176.10 2juw h ALA 64 N 0.34 0.90 0.71 5.00 0.00 0.13 -0.38 119.26 125.96 2juw h ALA 64 Ca -0.03 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 2juw h ALA 64 Cb 0.31 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 17.84 2juw h ALA 64 CO 0.05 0.55 -0.34 1.25 0.00 0.00 0.00 179.25 180.77 2juw h LEU 65 N 0.99 -0.80 -1.13 0.00 5.85 -0.49 -0.29 115.31 119.44 2juw h LEU 65 Ca 0.22 0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.99 2juw h LEU 65 Cb 0.27 0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.45 2juw h LEU 65 CO -0.01 -0.51 0.59 0.00 -0.34 0.00 0.00 178.44 178.17 2juw h ALA 66 N -0.81 1.45 -0.35 1.25 0.00 -0.71 -0.98 119.26 119.11 2juw h ALA 66 Ca -0.10 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 2juw h ALA 66 Cb 0.75 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2juw h ALA 66 CO 0.16 0.44 0.04 0.37 0.00 0.00 0.00 179.25 180.26 2juw h GLN 67 N 1.10 0.59 0.00 0.00 5.75 -0.96 -2.33 115.11 119.26 2juw h GLN 67 Ca 0.37 -0.17 0.00 0.00 -0.15 0.00 0.00 58.65 58.70 2juw h GLN 67 Cb 0.07 -0.06 0.00 0.00 1.07 0.00 0.00 27.48 28.56 2juw h GLN 67 CO -0.12 0.68 0.00 0.66 -2.65 0.00 0.00 178.83 177.40 2juw h SER 68 N 0.42 0.00 -0.01 -0.69 4.64 -0.37 0.13 113.55 117.67 2juw h SER 68 Ca 0.10 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.27 2juw h SER 68 Cb 0.39 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.49 2juw h SER 68 CO 0.01 0.00 -0.61 0.58 -0.87 0.00 0.00 176.83 175.94 2juw h VAL 69 N 0.00 1.42 0.00 0.95 2.07 -0.86 -2.60 116.25 117.22 2juw h VAL 69 Ca 0.00 -2.07 -0.20 0.00 0.82 0.00 0.00 66.70 65.24 2juw h VAL 69 Cb 0.56 2.57 -0.03 0.00 -1.52 0.00 0.00 31.29 32.87 2juw h VAL 69 CO 0.00 0.61 -1.14 0.07 0.02 0.00 0.00 177.57 177.13 2juw h LYS 70 N -0.08 0.00 -0.00 1.57 2.10 -1.22 -3.07 116.57 115.87 2juw h LYS 70 Ca -0.07 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.58 2juw h LYS 70 Cb 1.32 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.65 2juw h LYS 70 CO 0.12 0.66 0.00 0.43 -2.00 0.00 0.00 179.45 178.66 2juw n SER 71 N -3.17 0.15 -0.10 7.07 7.64 0.42 -1.27 113.62 124.35 2juw n SER 71 Ca -0.05 -1.14 -0.12 0.00 1.01 0.00 0.00 58.87 58.56 2juw n SER 71 Cb 0.91 -0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 64.07 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 0.23 0.70 0.08 6.43 -0.73 -1.36 -3.33 115.58 117.61 2juw h ASN 72 Ca 0.00 -0.42 -0.36 0.00 1.87 0.00 0.00 56.30 57.39 2juw h ASN 72 Cb 0.05 -0.19 -0.07 0.00 0.27 0.00 0.00 38.32 38.38 2juw h ASN 72 CO 0.00 0.97 -2.28 0.00 -0.37 0.00 0.00 177.43 175.75 2juw n LEU 73 N -4.35 0.46 -4.76 0.34 -0.00 -1.18 -4.68 117.00 102.84 2juw n LEU 73 Ca -0.03 0.06 -0.41 0.00 -0.00 0.00 0.00 56.01 55.63 2juw n LEU 73 Cb 0.41 0.29 -0.03 0.00 -0.00 0.00 0.00 43.42 44.08 2juw n LEU 73 CO 0.43 0.53 0.89 -0.70 -0.00 0.00 0.00 177.39 178.54 2juw s GLU 74 N -2.51 4.50 0.00 1.47 -6.30 -0.40 -1.93 118.70 113.53 2juw s GLU 74 Ca -0.12 1.97 0.00 0.00 -2.50 0.00 0.00 54.97 54.33 2juw s GLU 74 Cb 0.07 -3.16 0.00 0.00 0.00 0.00 0.00 34.13 31.03 2juw s GLU 74 CO 0.81 -0.02 0.00 0.72 0.02 0.00 0.00 175.26 176.79 2juw n HIS 75 N 1.50 0.00 -4.30 5.30 8.25 -1.26 -4.67 115.22 120.04 2juw n HIS 75 Ca 0.01 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.25 2juw n HIS 75 Cb 0.44 -0.85 -0.12 0.00 1.12 0.00 0.00 29.99 30.58 2juw n HIS 75 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2juw s HIS 76 N -1.78 1.73 0.00 4.41 3.76 -0.81 -4.78 115.29 117.81 2juw s HIS 76 Ca 0.00 -0.46 0.00 0.00 -0.15 0.00 0.00 55.06 54.45 2juw s HIS 76 Cb 0.00 -0.90 0.00 0.00 1.11 0.00 0.00 32.58 32.79 2juw s HIS 76 CO 0.00 0.25 0.00 1.58 -0.85 0.00 0.00 174.74 175.72 2juw n HIS 77 N 0.64 0.00 -2.25 1.40 -0.00 -1.26 -4.80 115.22 108.94 2juw n HIS 77 Ca -0.16 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.14 2juw n HIS 77 Cb 0.56 0.00 -0.00 0.00 -0.00 0.00 0.00 29.99 30.54 2juw n HIS 77 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2juw n HIS 78 N 0.00 4.15 -3.86 1.57 -0.00 -1.26 -4.88 115.22 110.94 2juw n HIS 78 Ca 0.00 -2.79 -0.11 0.00 -0.00 0.00 0.00 57.72 54.82 2juw n HIS 78 Cb 0.00 -2.59 -0.09 0.00 -0.00 0.00 0.00 29.99 27.31 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 4.25 0.07 -0.26 1.57 2.46 -1.26 -4.92 115.29 117.19 2juw s HIS 79 Ca 0.53 -0.25 0.02 0.00 0.47 0.00 0.00 55.06 55.82 2juw s HIS 79 Cb 0.07 -0.05 0.02 0.00 -0.13 0.00 0.00 32.58 32.49 2juw s HIS 79 CO 0.03 -0.38 0.57 1.58 -2.47 0.00 0.00 174.74 174.07