#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 4.09 0.00 3.04 0.00 -1.26 -4.88 121.76 122.75 2juw s ALA 2 Ca 0.00 -3.44 0.00 0.00 0.00 0.00 0.00 51.96 48.52 2juw s ALA 2 Cb 0.00 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 19.83 2juw s ALA 2 CO 0.00 -2.22 0.08 -0.89 0.00 0.00 0.00 175.76 172.72 2juw n ILE 3 N 3.53 0.00 -2.73 0.00 -0.00 -1.26 -4.95 119.36 113.95 2juw n ILE 3 Ca 0.15 0.19 0.00 0.00 -0.00 0.00 0.00 62.75 63.09 2juw n ILE 3 Cb 0.43 -0.41 0.00 0.00 -0.00 0.00 0.00 39.64 39.66 2juw n ILE 3 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2juw n GLN 4 N -0.35 0.00 -3.49 0.38 6.02 -1.26 -4.03 117.38 114.64 2juw n GLN 4 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.57 2juw n GLN 4 Cb 0.00 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 31.21 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 6.11 -0.05 1.08 0.01 -1.26 -4.91 113.70 110.67 2juw s SER 5 Ca 0.00 -2.75 -0.24 0.00 1.31 0.00 0.00 55.95 54.27 2juw s SER 5 Cb 0.00 -2.06 -0.25 0.00 0.21 0.00 0.00 66.02 63.92 2juw s SER 5 CO 0.00 -0.49 0.99 0.11 0.41 0.00 0.00 173.24 174.27 2juw h LYS 6 N 7.47 0.21 -5.12 12.44 1.57 -1.93 -3.41 116.57 127.80 2juw h LYS 6 Ca 0.05 -0.25 -0.66 0.00 -1.87 0.00 0.00 60.65 57.92 2juw h LYS 6 Cb 1.00 0.08 -0.17 0.00 0.08 0.00 0.00 32.23 33.22 2juw h LYS 6 CO 0.74 1.00 0.31 0.71 -0.57 0.00 0.00 179.45 181.63 2juw s TYR 7 N -2.95 2.86 0.46 -1.35 2.02 -1.26 -5.04 117.35 112.09 2juw s TYR 7 Ca -0.15 -0.65 -0.22 0.00 -0.37 0.00 0.00 57.07 55.67 2juw s TYR 7 Cb 0.01 -4.05 -0.08 0.00 -0.40 0.00 0.00 41.96 37.44 2juw s TYR 7 CO 0.76 -1.39 1.08 -1.54 -1.57 0.00 0.00 175.55 172.89 2juw s SER 8 N 3.42 6.36 0.38 2.29 1.04 -1.26 -4.90 113.70 121.02 2juw s SER 8 Ca 0.18 2.08 0.09 0.00 0.48 0.00 0.00 55.95 58.78 2juw s SER 8 Cb -0.20 -2.58 0.84 0.00 0.10 0.00 0.00 66.02 64.18 2juw s SER 8 CO 0.10 -0.78 1.93 -0.55 0.98 0.00 0.00 173.24 174.92 2juw h ASN 9 N 1.93 0.59 -0.38 7.02 -1.07 -1.98 -0.91 115.58 120.78 2juw h ASN 9 Ca -0.49 0.02 -0.02 0.00 0.07 0.00 0.00 56.30 55.88 2juw h ASN 9 Cb 1.23 -0.11 -0.02 0.00 -2.07 0.00 0.00 38.32 37.36 2juw h ASN 9 CO 0.60 0.35 0.18 0.74 0.07 0.00 0.00 177.43 179.36 2juw h THR 10 N 0.65 1.17 -0.23 6.14 2.02 -1.98 0.86 112.91 121.54 2juw h THR 10 Ca 0.36 -0.50 -0.01 0.00 0.77 0.00 0.00 66.41 67.02 2juw h THR 10 Cb 0.51 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 67.71 2juw h THR 10 CO -0.13 0.19 0.09 -0.61 0.37 0.00 0.00 175.52 175.42 2juw h GLN 11 N 0.47 0.35 0.01 6.66 4.15 -1.58 0.32 115.11 125.50 2juw h GLN 11 Ca 0.13 -0.07 -0.00 0.00 0.77 0.00 0.00 58.65 59.48 2juw h GLN 11 Cb 0.13 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 27.77 2juw h GLN 11 CO -0.02 0.41 -0.01 0.28 -1.93 0.00 0.00 178.83 177.57 2juw h VAL 12 N 0.22 1.24 -0.82 2.39 2.07 -1.20 0.63 116.25 120.78 2juw h VAL 12 Ca 0.08 -0.75 0.00 0.00 0.82 0.00 0.00 66.70 66.85 2juw h VAL 12 Cb 0.19 1.74 -0.04 0.00 -1.52 0.00 0.00 31.29 31.67 2juw h VAL 12 CO -0.01 0.19 0.52 -0.33 0.02 0.00 0.00 177.57 177.97 2juw h GLU 13 N -0.34 1.09 -0.74 1.57 5.08 -0.82 0.16 114.58 120.60 2juw h GLU 13 Ca -0.00 -0.08 -0.06 0.00 -1.00 0.00 0.00 59.36 58.22 2juw h GLU 13 Cb 0.33 -0.24 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 2juw h GLU 13 CO 0.00 0.75 0.24 1.03 -1.00 0.00 0.00 179.01 180.03 2juw h SER 14 N 1.12 1.05 -0.47 1.42 0.87 -0.84 0.00 113.55 116.71 2juw h SER 14 Ca 0.30 -0.19 -0.06 0.00 -1.23 0.00 0.00 61.79 60.61 2juw h SER 14 Cb -0.09 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 61.57 2juw h SER 14 CO -0.06 0.97 0.07 0.25 -0.53 0.00 0.00 176.83 177.53 2juw h LEU 15 N 1.09 0.75 -0.66 2.23 5.85 0.07 0.15 115.31 124.79 2juw h LEU 15 Ca 0.24 -0.26 0.03 0.00 0.84 0.00 0.00 57.88 58.73 2juw h LEU 15 Cb 0.29 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.07 2juw h LEU 15 CO -0.01 0.82 0.40 0.40 -0.34 0.00 0.00 178.44 179.71 2juw h ILE 16 N 0.65 1.07 -1.01 4.05 2.04 -0.43 -1.64 117.51 122.24 2juw h ILE 16 Ca 0.14 -0.27 0.01 0.00 1.00 0.00 0.00 64.86 65.74 2juw h ILE 16 Cb 0.39 0.22 -0.05 0.00 -0.74 0.00 0.00 36.82 36.64 2juw h ILE 16 CO 0.01 0.14 0.67 0.00 0.00 0.00 0.00 178.15 178.97 2juw h ALA 17 N 1.29 1.28 -0.37 1.87 0.00 -0.47 -1.55 119.26 121.31 2juw h ALA 17 Ca 0.27 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.17 2juw h ALA 17 Cb 0.04 -0.41 -0.05 0.00 0.00 0.00 0.00 17.79 17.37 2juw h ALA 17 CO -0.12 0.66 0.05 0.93 0.00 0.00 0.00 179.25 180.78 2juw h GLU 18 N 1.36 0.16 -0.63 0.00 4.39 0.19 0.20 114.58 120.24 2juw h GLU 18 Ca 0.37 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 60.04 2juw h GLU 18 Cb -0.16 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.43 2juw h GLU 18 CO -0.08 0.11 0.30 0.82 -1.16 0.00 0.00 179.01 179.00 2juw h ILE 19 N 0.16 1.22 -0.46 3.13 1.08 -0.88 -2.16 117.51 119.60 2juw h ILE 19 Ca 0.18 -0.62 -0.04 0.00 -0.39 0.00 0.00 64.86 63.99 2juw h ILE 19 Cb 0.23 0.46 -0.02 0.00 -3.07 0.00 0.00 36.82 34.41 2juw h ILE 19 CO -0.26 0.25 0.10 -0.07 -0.69 0.00 0.00 178.15 177.49 2juw h LEU 20 N 0.87 0.65 -0.84 1.44 3.38 -0.64 -2.44 115.31 117.73 2juw h LEU 20 Ca 0.22 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 2juw h LEU 20 Cb 0.12 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 2juw h LEU 20 CO -0.03 0.65 0.44 0.58 0.09 0.00 0.00 178.44 180.18 2juw h VAL 21 N 0.68 1.25 -0.01 1.22 2.07 -0.01 0.26 116.25 121.71 2juw h VAL 21 Ca 0.15 -0.65 0.01 0.00 0.82 0.00 0.00 66.70 67.03 2juw h VAL 21 Cb 0.27 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.17 2juw h VAL 21 CO -0.00 0.29 -0.04 0.58 0.02 0.00 0.00 177.57 178.42 2juw h VAL 22 N 1.18 0.90 -0.24 2.57 2.07 -1.02 0.24 116.25 121.96 2juw h VAL 22 Ca 0.29 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.85 2juw h VAL 22 Cb 0.06 0.90 -0.04 0.00 -1.52 0.00 0.00 31.29 30.69 2juw h VAL 22 CO -0.04 0.00 0.00 -0.07 0.02 0.00 0.00 177.57 177.48 2juw h LEU 23 N -0.06 -0.08 -1.15 2.57 3.38 -1.19 -2.93 115.31 115.85 2juw h LEU 23 Ca 0.02 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 2juw h LEU 23 Cb 0.09 0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 2juw h LEU 23 CO -0.05 -0.01 0.19 -0.08 0.09 0.00 0.00 178.44 178.58 2juw h GLU 24 N 0.08 0.80 -0.40 1.13 4.57 -0.03 -1.85 114.58 118.88 2juw h GLU 24 Ca 0.11 -0.13 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 2juw h GLU 24 Cb 0.14 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.57 2juw h GLU 24 CO -0.18 0.67 0.26 0.87 -1.18 0.00 0.00 179.01 179.44 2juw h LYS 25 N 0.78 0.52 0.00 1.92 1.57 -0.34 -0.93 116.57 120.10 2juw h LYS 25 Ca 0.18 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 2juw h LYS 25 Cb 0.19 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.38 2juw h LYS 25 CO -0.01 0.35 -0.36 0.72 -0.57 0.00 0.00 179.45 179.58 2juw n HIS 26 N -4.47 0.15 -2.34 -1.35 8.25 -0.75 -4.92 115.22 109.79 2juw n HIS 26 Ca 0.03 0.04 -0.19 0.00 -0.26 0.00 0.00 57.72 57.34 2juw n HIS 26 Cb 0.06 -0.43 -0.01 0.00 1.12 0.00 0.00 29.99 30.73 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 -1.65 -1.75 -2.06 -0.41 4.01 -0.35 -4.90 118.16 111.04 2juw n LYS 27 Ca 0.06 0.96 -0.42 0.00 -0.51 0.00 0.00 58.31 58.40 2juw n LYS 27 Cb 0.36 -5.60 -0.03 0.00 -0.51 0.00 0.00 35.03 29.26 2juw n LYS 27 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2juw s ALA 28 N -2.95 3.63 0.88 7.82 0.00 -1.15 -5.00 121.76 124.99 2juw s ALA 28 Ca 0.00 1.26 -0.10 0.00 0.00 0.00 0.00 51.96 53.12 2juw s ALA 28 Cb 0.00 -3.55 0.12 0.00 0.00 0.00 0.00 23.12 19.69 2juw s ALA 28 CO 0.00 -0.69 1.12 -2.14 0.00 0.00 0.00 175.76 174.06 2juw s PRO 29 N 0.24 1.32 0.38 0.00 0.02 -1.26 -4.67 135.00 131.04 2juw s PRO 29 Ca 0.62 1.39 0.08 0.00 0.02 0.00 0.00 61.00 63.10 2juw s PRO 29 Cb -0.40 -1.77 0.82 0.00 0.02 0.00 0.00 34.50 33.16 2juw s PRO 29 CO 0.38 -2.37 1.98 1.15 -0.33 0.00 0.00 177.00 177.81 2juw h THR 30 N -1.67 1.01 -0.04 0.99 2.02 -1.97 0.28 112.91 113.53 2juw h THR 30 Ca -0.44 -0.22 0.03 0.00 0.77 0.00 0.00 66.41 66.55 2juw h THR 30 Cb 1.26 0.30 -0.05 0.00 -1.74 0.00 0.00 68.15 67.92 2juw h THR 30 CO 0.45 0.12 -0.23 -0.78 0.37 0.00 0.00 175.52 175.45 2juw h ASP 31 N 0.66 -0.68 0.53 4.18 1.82 -1.99 0.23 116.42 121.16 2juw h ASP 31 Ca 0.28 0.10 -0.14 0.00 -0.39 0.00 0.00 57.03 56.88 2juw h ASP 31 Cb 0.26 0.29 -0.02 0.00 0.68 0.00 0.00 39.33 40.55 2juw h ASP 31 CO -0.09 -0.29 -0.64 0.25 -1.61 0.00 0.00 179.24 176.86 2juw h LEU 32 N -0.34 0.12 0.18 2.28 5.85 -1.65 -2.21 115.31 119.54 2juw h LEU 32 Ca 0.07 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 2juw h LEU 32 Cb 0.44 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.44 2juw h LEU 32 CO -0.23 0.73 -0.09 -1.28 -0.34 0.00 0.00 178.44 177.23 2juw h SER 33 N 0.07 -0.21 -0.59 1.25 0.87 0.02 0.62 113.55 115.59 2juw h SER 33 Ca -0.01 -0.08 -0.02 0.00 -1.23 0.00 0.00 61.79 60.45 2juw h SER 33 Cb 1.15 0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 63.13 2juw h SER 33 CO 0.09 -0.05 0.29 -0.07 -0.53 0.00 0.00 176.83 176.57 2juw h LEU 34 N -0.36 0.79 -0.13 2.23 3.38 -0.54 0.34 115.31 121.01 2juw h LEU 34 Ca -0.03 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 2juw h LEU 34 Cb 0.28 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2juw h LEU 34 CO 0.04 0.68 0.08 -0.03 0.09 0.00 0.00 178.44 179.30 2juw h MET 35 N 0.87 0.18 -0.18 1.13 4.05 -1.10 0.16 114.93 120.04 2juw h MET 35 Ca 0.22 -0.02 -0.03 0.00 -0.28 0.00 0.00 59.70 59.59 2juw h MET 35 Cb 0.10 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 30.85 2juw h MET 35 CO -0.03 0.16 -0.01 0.00 0.23 0.00 0.00 176.91 177.26 2juw h ALA 36 N 1.01 0.24 -0.36 0.39 0.00 -0.49 -2.78 119.26 117.28 2juw h ALA 36 Ca 0.05 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2juw h ALA 36 Cb 0.02 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2juw h ALA 36 CO -0.01 -0.03 0.22 -0.07 0.00 0.00 0.00 179.25 179.36 2juw h LEU 37 N 0.06 0.42 -0.87 0.00 -0.00 -0.85 -1.42 115.31 112.65 2juw h LEU 37 Ca 0.05 -0.04 0.07 0.00 -0.00 0.00 0.00 57.88 57.96 2juw h LEU 37 Cb 0.41 -0.11 -0.07 0.00 -0.00 0.00 0.00 40.66 40.90 2juw h LEU 37 CO 0.01 0.34 0.54 1.23 -0.00 0.00 0.00 178.44 180.55 2juw h GLY 38 N 0.47 1.33 0.96 0.83 0.00 -0.67 -0.73 103.07 105.26 2juw h GLY 38 Ca 0.13 -0.38 -0.08 0.00 0.00 0.00 0.00 47.33 47.00 2juw h GLY 38 CO -0.03 0.24 -0.09 3.43 0.00 0.00 0.00 176.54 180.09 2juw h ASN 39 N 0.95 0.72 -0.22 0.19 2.35 -1.19 -2.64 115.58 115.75 2juw h ASN 39 Ca 0.39 -0.36 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 2juw h ASN 39 Cb 0.23 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.39 2juw h ASN 39 CO -0.19 0.92 0.14 0.00 -1.65 0.00 0.00 177.43 176.64 2juw h VAL 41 N 0.29 0.94 0.00 0.00 2.07 -1.17 -1.06 116.25 117.32 2juw h VAL 41 Ca 0.08 -0.07 -0.14 0.00 0.82 0.00 0.00 66.70 67.39 2juw h VAL 41 Cb -0.03 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 2juw h VAL 41 CO -0.02 0.04 -0.65 0.74 0.02 0.00 0.00 177.57 177.70 2juw h THR 42 N 0.22 1.40 -0.40 2.57 2.02 -1.21 -1.66 112.91 115.84 2juw h THR 42 Ca 0.12 -2.28 -0.14 0.00 0.77 0.00 0.00 66.41 64.88 2juw h THR 42 Cb 0.08 2.25 -0.01 0.00 -1.74 0.00 0.00 68.15 68.73 2juw h THR 42 CO -0.12 0.64 -0.30 -0.74 0.37 0.00 0.00 175.52 175.37 2juw h HIS 43 N 0.00 1.06 -0.41 3.16 2.76 0.12 0.33 115.15 122.17 2juw h HIS 43 Ca -0.01 -0.29 -0.13 0.00 -2.20 0.00 0.00 60.37 57.74 2juw h HIS 43 Cb 1.20 -0.23 -0.01 0.00 1.55 0.00 0.00 27.41 29.92 2juw h HIS 43 CO 0.00 1.10 -0.24 -0.07 -1.30 0.00 0.00 177.93 177.42 2juw h LEU 44 N 0.72 0.92 -0.69 0.26 3.38 -1.10 -2.61 115.31 116.19 2juw h LEU 44 Ca 0.08 -0.42 -0.01 0.00 0.09 0.00 0.00 57.88 57.62 2juw h LEU 44 Cb 0.88 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 2juw h LEU 44 CO 0.08 1.14 0.41 0.25 0.09 0.00 0.00 178.44 180.41 2juw h LEU 45 N 0.71 0.84 -0.30 1.67 6.46 -1.14 -2.28 115.31 121.26 2juw h LEU 45 Ca 0.09 -0.07 -0.05 0.00 -0.12 0.00 0.00 57.88 57.73 2juw h LEU 45 Cb 0.82 -0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 40.52 2juw h LEU 45 CO 0.07 0.66 0.00 -0.08 -0.62 0.00 0.00 178.44 178.47 2juw h GLU 46 N 0.95 0.52 -0.00 1.25 4.22 -0.87 0.08 114.58 120.73 2juw h GLU 46 Ca 0.25 -0.17 0.00 0.00 0.08 0.00 0.00 59.36 59.52 2juw h GLU 46 Cb -0.02 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.18 2juw h GLU 46 CO -0.05 0.67 -0.21 2.89 -2.18 0.00 0.00 179.01 180.14 2juw n ARG 47 N -4.57 0.64 -0.01 1.92 1.85 -0.99 -4.03 116.66 111.47 2juw n ARG 47 Ca -0.03 -0.30 -0.01 0.00 -1.00 0.00 0.00 57.85 56.51 2juw n ARG 47 Cb 0.26 -1.49 -0.01 0.00 -1.05 0.00 0.00 32.46 30.16 2juw n ARG 47 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 2juw n LYS 48 N -0.92 1.99 -4.10 2.89 3.00 -0.87 -5.01 118.16 115.14 2juw n LYS 48 Ca 0.12 0.01 -0.35 0.00 -0.00 0.00 0.00 58.31 58.09 2juw n LYS 48 Cb 0.32 -1.04 -0.12 0.00 0.00 0.00 0.00 35.03 34.19 2juw n LYS 48 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 2juw s VAL 49 N -2.04 4.26 0.69 3.15 1.01 0.01 -5.08 120.40 122.39 2juw s VAL 49 Ca -0.02 -0.22 -0.17 0.00 0.00 0.00 0.00 61.98 61.58 2juw s VAL 49 Cb 0.01 -2.92 0.01 0.00 0.00 0.00 0.00 36.38 33.48 2juw s VAL 49 CO 0.06 0.44 1.26 -2.16 0.00 0.00 0.00 175.10 174.70 2juw s PRO 50 N 0.72 2.33 0.34 2.72 0.04 -1.26 -4.55 135.00 135.33 2juw s PRO 50 Ca 0.01 1.95 0.12 0.00 0.04 0.00 0.00 61.00 63.11 2juw s PRO 50 Cb -0.14 -1.83 0.92 0.00 0.04 0.00 0.00 34.50 33.49 2juw s PRO 50 CO 0.02 -1.74 1.75 0.77 0.04 0.00 0.00 177.00 177.85 2juw h SER 51 N 0.15 0.63 0.26 6.66 0.02 -1.94 0.18 113.55 119.50 2juw h SER 51 Ca -0.49 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 2juw h SER 51 Cb 1.32 0.01 -0.02 0.00 0.14 0.00 0.00 62.40 63.85 2juw h SER 51 CO 0.51 0.14 -0.27 -0.33 -1.14 0.00 0.00 176.83 175.74 2juw h GLU 52 N 0.56 -0.55 -0.01 3.45 4.39 -2.03 -2.70 114.58 117.69 2juw h GLU 52 Ca 0.61 0.04 0.00 0.00 0.34 0.00 0.00 59.36 60.35 2juw h GLU 52 Cb 1.24 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 30.01 2juw h GLU 52 CO -0.40 -0.36 -0.18 0.43 -1.16 0.00 0.00 179.01 177.34 2juw n SER 53 N -5.39 1.03 -0.19 1.42 7.64 -0.76 -4.00 113.62 113.36 2juw n SER 53 Ca -0.09 -0.97 -0.09 0.00 1.01 0.00 0.00 58.87 58.74 2juw n SER 53 Cb 0.30 0.08 0.02 0.00 -1.01 0.00 0.00 64.21 63.59 2juw n SER 53 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 2juw h ARG 54 N 1.34 0.89 -0.14 1.43 2.43 -0.33 -1.02 114.38 118.98 2juw h ARG 54 Ca 0.00 -0.22 -0.11 0.00 -0.81 0.00 0.00 59.98 58.84 2juw h ARG 54 Cb 0.48 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 2juw h ARG 54 CO 0.00 0.84 -0.38 0.37 -1.51 0.00 0.00 179.97 179.29 2juw h GLN 55 N 0.78 0.29 -0.13 0.20 -0.00 -1.69 -1.33 115.11 113.23 2juw h GLN 55 Ca 0.17 -0.13 -0.02 0.00 -0.00 0.00 0.00 58.65 58.66 2juw h GLN 55 Cb 0.37 -0.01 -0.00 0.00 0.00 0.00 0.00 27.48 27.83 2juw h GLN 55 CO 0.00 0.63 -0.01 0.00 0.00 0.00 0.00 178.83 179.46 2juw h ALA 56 N 1.36 0.18 -0.77 3.38 0.00 -1.64 -1.03 119.26 120.74 2juw h ALA 56 Ca 0.03 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 2juw h ALA 56 Cb 0.79 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 2juw h ALA 56 CO 0.06 -0.10 0.32 0.28 0.00 0.00 0.00 179.25 179.81 2juw h VAL 57 N -0.04 1.25 -0.47 0.00 2.07 -1.08 -1.18 116.25 116.80 2juw h VAL 57 Ca 0.04 -0.78 0.02 0.00 0.82 0.00 0.00 66.70 66.79 2juw h VAL 57 Cb 0.40 0.32 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 2juw h VAL 57 CO 0.01 0.32 0.29 0.00 0.02 0.00 0.00 177.57 178.21 2juw h ALA 58 N 1.23 0.60 -0.24 1.67 0.00 -1.10 0.63 119.26 122.05 2juw h ALA 58 Ca 0.26 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.17 2juw h ALA 58 Cb 0.19 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2juw h ALA 58 CO -0.02 -0.01 0.10 0.93 0.00 0.00 0.00 179.25 180.25 2juw h GLU 59 N 0.59 0.22 -0.61 0.00 4.39 -0.76 0.10 114.58 118.51 2juw h GLU 59 Ca 0.19 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.87 2juw h GLU 59 Cb -0.01 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.56 2juw h GLU 59 CO -0.07 0.14 0.36 1.96 -1.16 0.00 0.00 179.01 180.24 2juw h GLN 60 N 0.22 0.83 -0.23 2.33 4.20 -0.75 0.56 115.11 122.27 2juw h GLN 60 Ca 0.10 -0.08 -0.04 0.00 0.06 0.00 0.00 58.65 58.69 2juw h GLN 60 Cb 0.05 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.65 2juw h GLN 60 CO -0.09 0.60 -0.02 0.35 -0.67 0.00 0.00 178.83 179.01 2juw h PHE 61 N 0.82 0.46 -0.68 2.96 3.57 -0.70 -2.21 116.94 121.17 2juw h PHE 61 Ca 0.22 -0.09 -0.00 0.00 3.53 0.00 0.00 57.97 61.63 2juw h PHE 61 Cb -0.01 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.58 2juw h PHE 61 CO -0.02 0.61 0.42 0.00 -2.23 0.00 0.00 178.31 177.09 2juw h ALA 62 N 0.79 0.86 -0.18 2.41 0.00 -0.51 -0.30 119.26 122.34 2juw h ALA 62 Ca 0.06 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2juw h ALA 62 Cb 0.44 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2juw h ALA 62 CO 0.01 0.33 0.09 0.87 0.00 0.00 0.00 179.25 180.55 2juw h LYS 63 N 0.92 0.25 -0.17 0.00 1.57 -0.84 -1.68 116.57 116.61 2juw h LYS 63 Ca 0.24 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.98 2juw h LYS 63 Cb -0.04 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 2juw h LYS 63 CO -0.05 0.26 0.08 0.00 -0.57 0.00 0.00 179.45 179.17 2juw h ALA 64 N 0.97 0.22 0.46 3.86 0.00 -1.12 -0.36 119.26 123.30 2juw h ALA 64 Ca 0.06 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 2juw h ALA 64 Cb 0.09 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2juw h ALA 64 CO -0.01 -0.21 -0.23 1.25 0.00 0.00 0.00 179.25 180.05 2juw h LEU 65 N 0.14 -0.54 -0.53 0.00 5.85 -1.00 -1.75 115.31 117.48 2juw h LEU 65 Ca 0.06 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 2juw h LEU 65 Cb 0.13 0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 2juw h LEU 65 CO -0.01 -0.38 0.21 0.00 -0.34 0.00 0.00 178.44 177.92 2juw h ALA 66 N -0.09 0.69 -1.00 1.25 0.00 -1.31 -2.51 119.26 116.30 2juw h ALA 66 Ca -0.06 -0.16 0.10 0.00 0.00 0.00 0.00 54.91 54.79 2juw h ALA 66 Cb 0.49 -0.21 -0.08 0.00 0.00 0.00 0.00 17.79 17.99 2juw h ALA 66 CO 0.10 0.30 0.63 0.37 0.00 0.00 0.00 179.25 180.66 2juw h GLN 67 N 0.72 1.02 0.18 0.00 4.15 -0.94 -1.70 115.11 118.53 2juw h GLN 67 Ca 0.18 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.53 2juw h GLN 67 Cb 0.20 -0.23 0.00 0.00 0.21 0.00 0.00 27.48 27.66 2juw h GLN 67 CO -0.01 0.67 -0.08 1.03 -1.93 0.00 0.00 178.83 178.51 2juw h SER 68 N 1.05 -0.20 -0.26 -0.69 0.87 -0.89 -1.77 113.55 111.65 2juw h SER 68 Ca 0.47 -0.17 -0.02 0.00 -1.23 0.00 0.00 61.79 60.85 2juw h SER 68 Cb 0.37 0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.37 2juw h SER 68 CO -0.23 0.06 0.12 0.58 -0.53 0.00 0.00 176.83 176.82 2juw h VAL 69 N -0.46 1.13 0.10 2.23 2.07 -1.12 0.10 116.25 120.30 2juw h VAL 69 Ca -0.02 -0.40 -0.27 0.00 0.82 0.00 0.00 66.70 66.82 2juw h VAL 69 Cb 0.36 0.76 0.01 0.00 -1.52 0.00 0.00 31.29 30.90 2juw h VAL 69 CO 0.04 0.15 -1.17 0.11 0.02 0.00 0.00 177.57 176.72 2juw h LYS 70 N 0.44 0.41 0.00 1.57 1.57 -1.27 -3.34 116.57 115.94 2juw h LYS 70 Ca 0.11 -0.57 -0.06 0.00 -1.87 0.00 0.00 60.65 58.26 2juw h LYS 70 Cb 0.10 0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 2juw h LYS 70 CO -0.01 1.24 -1.21 -1.13 -0.57 0.00 0.00 179.45 177.76 2juw n SER 71 N -3.67 0.80 0.20 0.86 3.41 -0.67 -2.97 113.62 111.57 2juw n SER 71 Ca -0.10 0.32 0.09 0.00 -0.26 0.00 0.00 58.87 58.93 2juw n SER 71 Cb 0.96 0.45 0.22 0.00 -0.26 0.00 0.00 64.21 65.59 2juw n SER 71 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2juw h ASN 72 N 0.00 0.00 0.68 4.04 -1.07 -0.95 -2.32 115.58 115.96 2juw h ASN 72 Ca -0.06 0.00 -0.26 0.00 0.07 0.00 0.00 56.30 56.05 2juw h ASN 72 Cb 1.20 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 37.44 2juw h ASN 72 CO 0.02 0.20 -1.31 -0.07 0.07 0.00 0.00 177.43 176.34 2juw h LEU 73 N 0.00 0.21 0.00 6.14 4.07 -1.68 -3.48 115.31 120.56 2juw h LEU 73 Ca -0.00 -0.26 0.00 0.00 0.08 0.00 0.00 57.88 57.70 2juw h LEU 73 Cb 1.04 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 42.71 2juw h LEU 73 CO 0.03 1.21 0.00 1.21 -1.08 0.00 0.00 178.44 179.81 2juw n GLU 74 N -3.38 0.00 0.00 1.13 4.07 -0.88 -4.95 120.64 116.64 2juw n GLU 74 Ca -0.09 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.01 2juw n GLU 74 Cb 1.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 32.38 2juw n GLU 74 CO 0.00 0.00 0.00 0.72 -0.06 0.00 0.00 177.13 177.79 2juw n HIS 75 N 0.00 -0.01 -4.19 4.31 8.25 -1.26 -4.54 115.22 117.78 2juw n HIS 75 Ca 0.00 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.11 2juw n HIS 75 Cb 0.00 0.07 -0.09 0.00 1.12 0.00 0.00 29.99 31.08 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 0.00 3.23 -1.18 4.41 0.09 -1.26 -4.99 115.29 115.59 2juw s HIS 76 Ca 0.00 0.12 0.29 0.00 -0.00 0.00 0.00 55.06 55.47 2juw s HIS 76 Cb 0.00 -1.93 1.17 0.00 -0.00 0.00 0.00 32.58 31.82 2juw s HIS 76 CO 0.00 0.32 1.86 1.58 -0.00 0.00 0.00 174.74 178.50 2juw n HIS 77 N 2.80 0.00 -3.10 1.40 -0.00 -1.26 -4.77 115.22 110.28 2juw n HIS 77 Ca -0.18 0.00 -0.39 0.00 0.46 0.00 0.00 57.72 57.61 2juw n HIS 77 Cb 0.53 -0.37 -0.05 0.00 -0.12 0.00 0.00 29.99 29.98 2juw n HIS 77 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2juw s HIS 78 N -2.84 3.65 0.02 1.57 3.76 -1.26 -5.07 115.29 115.13 2juw s HIS 78 Ca 0.19 1.26 0.02 0.00 -0.15 0.00 0.00 55.06 56.38 2juw s HIS 78 Cb 0.19 -2.73 -0.02 0.00 1.11 0.00 0.00 32.58 31.14 2juw s HIS 78 CO 0.54 0.22 -0.07 -3.38 -0.85 0.00 0.00 174.74 171.20 2juw s HIS 79 N 0.26 0.58 0.00 1.40 -3.43 -1.26 -5.23 115.29 107.61 2juw s HIS 79 Ca 0.35 -0.32 0.00 0.00 -0.80 0.00 0.00 55.06 54.28 2juw s HIS 79 Cb -0.18 -0.36 0.00 0.00 -1.43 0.00 0.00 32.58 30.61 2juw s HIS 79 CO 0.18 -0.05 0.00 1.58 -2.00 0.00 0.00 174.74 174.45