#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 -1.44 0.00 3.17 0.00 -1.26 -4.65 120.51 116.33 2juw n ALA 2 Ca 0.00 0.28 -0.11 0.00 0.00 0.00 0.00 53.44 53.62 2juw n ALA 2 Cb 0.00 -1.07 -0.14 0.00 0.00 0.00 0.00 19.45 18.24 2juw n ALA 2 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2juw h ILE 3 N 0.29 0.97 0.07 0.00 2.04 -2.08 -3.40 117.51 115.40 2juw h ILE 3 Ca 0.00 -2.76 -0.00 0.00 1.00 0.00 0.00 64.86 63.09 2juw h ILE 3 Cb 0.45 2.52 0.00 0.00 -0.74 0.00 0.00 36.82 39.05 2juw h ILE 3 CO 0.00 0.64 -0.03 1.56 0.00 0.00 0.00 178.15 180.31 2juw h GLN 4 N 0.02 -0.09 0.00 2.37 4.20 -2.07 -3.50 115.11 116.04 2juw h GLN 4 Ca -0.26 0.01 0.18 0.00 0.06 0.00 0.00 58.65 58.63 2juw h GLN 4 Cb 1.99 0.02 -0.04 0.00 0.30 0.00 0.00 27.48 29.74 2juw h GLN 4 CO 0.10 -0.06 -0.24 0.45 -0.67 0.00 0.00 178.83 178.41 2juw n SER 5 N -2.94 -6.27 0.16 1.46 2.88 -1.26 -4.98 113.62 102.66 2juw n SER 5 Ca -0.01 0.71 0.00 0.00 -1.33 0.00 0.00 58.87 58.23 2juw n SER 5 Cb 0.04 -1.98 0.00 0.00 -0.75 0.00 0.00 64.21 61.51 2juw n SER 5 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2juw n LYS 6 N -2.80 0.00 -3.82 -1.46 4.81 -1.26 -5.05 118.16 108.58 2juw n LYS 6 Ca 0.00 0.00 -0.36 0.00 -0.87 0.00 0.00 58.31 57.08 2juw n LYS 6 Cb 0.30 0.00 -0.13 0.00 0.02 0.00 0.00 35.03 35.22 2juw n LYS 6 CO 0.00 0.00 0.00 1.52 1.17 0.00 0.00 177.40 180.09 2juw s TYR 7 N -1.95 3.28 0.00 5.64 1.13 -1.26 -5.09 117.35 119.10 2juw s TYR 7 Ca 0.00 -1.69 0.00 0.00 -1.41 0.00 0.00 57.07 53.97 2juw s TYR 7 Cb 0.00 -2.26 0.00 0.00 -1.10 0.00 0.00 41.96 38.60 2juw s TYR 7 CO 0.00 -0.78 0.00 0.43 -2.51 0.00 0.00 175.55 172.69 2juw n SER 8 N 4.71 0.01 -0.27 -0.18 7.64 -1.26 -4.87 113.62 119.40 2juw n SER 8 Ca -0.12 -0.95 0.07 0.00 1.01 0.00 0.00 58.87 58.88 2juw n SER 8 Cb 0.44 0.00 0.19 0.00 -1.01 0.00 0.00 64.21 63.83 2juw n SER 8 CO 0.00 0.00 0.00 0.78 -3.01 0.00 0.00 175.04 172.81 2juw h ASN 9 N 0.00 -0.31 -0.51 6.43 4.21 -1.99 -1.74 115.58 121.68 2juw h ASN 9 Ca 0.00 0.20 0.10 0.00 1.21 0.00 0.00 56.30 57.82 2juw h ASN 9 Cb 0.00 0.35 -0.09 0.00 -1.12 0.00 0.00 38.32 37.45 2juw h ASN 9 CO 0.00 -0.19 -0.08 0.74 -1.29 0.00 0.00 177.43 176.61 2juw h THR 10 N 0.11 0.52 -0.04 2.81 2.02 -1.98 0.24 112.91 116.60 2juw h THR 10 Ca 0.45 -0.01 -0.02 0.00 0.77 0.00 0.00 66.41 67.60 2juw h THR 10 Cb 0.82 0.48 -0.00 0.00 -1.74 0.00 0.00 68.15 67.71 2juw h THR 10 CO -0.69 0.01 -0.06 -0.61 0.37 0.00 0.00 175.52 174.54 2juw h GLN 11 N 0.04 0.10 -0.00 6.66 5.75 -1.69 -2.31 115.11 123.66 2juw h GLN 11 Ca 0.25 -0.06 -0.00 0.00 -0.15 0.00 0.00 58.65 58.69 2juw h GLN 11 Cb 0.39 0.01 -0.00 0.00 1.07 0.00 0.00 27.48 28.95 2juw h GLN 11 CO -0.50 0.61 0.00 0.28 -2.65 0.00 0.00 178.83 176.58 2juw h VAL 12 N -0.40 1.20 0.00 2.39 2.07 -1.08 -0.71 116.25 119.72 2juw h VAL 12 Ca 0.00 -0.58 -0.08 0.00 0.82 0.00 0.00 66.70 66.86 2juw h VAL 12 Cb 0.61 1.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.95 2juw h VAL 12 CO 0.01 0.15 -0.39 -0.33 0.02 0.00 0.00 177.57 177.03 2juw h GLU 13 N -0.25 0.00 -0.12 1.57 5.08 -0.64 -0.43 114.58 119.80 2juw h GLU 13 Ca 0.00 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.19 2juw h GLU 13 Cb 0.25 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 2juw h GLU 13 CO 0.00 0.39 -0.64 1.03 -1.00 0.00 0.00 179.01 178.79 2juw h SER 14 N 0.00 0.51 0.35 1.42 0.87 -1.30 -1.64 113.55 113.77 2juw h SER 14 Ca -0.00 -0.30 -0.02 0.00 -1.23 0.00 0.00 61.79 60.24 2juw h SER 14 Cb 0.89 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.71 2juw h SER 14 CO 0.05 1.02 -0.17 0.25 -0.53 0.00 0.00 176.83 177.45 2juw h LEU 15 N 0.32 -0.40 -1.03 2.23 5.85 -0.39 -2.57 115.31 119.32 2juw h LEU 15 Ca -0.01 -0.10 0.12 0.00 0.84 0.00 0.00 57.88 58.72 2juw h LEU 15 Cb 1.20 0.10 -0.08 0.00 0.37 0.00 0.00 40.66 42.25 2juw h LEU 15 CO 0.11 -0.12 0.63 0.40 -0.34 0.00 0.00 178.44 179.12 2juw h ILE 16 N -0.68 0.92 -0.27 4.05 2.04 -1.13 -1.05 117.51 121.39 2juw h ILE 16 Ca -0.05 -0.34 0.05 0.00 1.00 0.00 0.00 64.86 65.52 2juw h ILE 16 Cb 0.48 -0.15 -0.04 0.00 -0.74 0.00 0.00 36.82 36.37 2juw h ILE 16 CO 0.08 0.18 -0.02 0.00 0.00 0.00 0.00 178.15 178.39 2juw h ALA 17 N 1.54 0.22 -0.08 1.87 0.00 -1.15 -0.58 119.26 121.08 2juw h ALA 17 Ca 0.49 0.08 -0.15 0.00 0.00 0.00 0.00 54.91 55.33 2juw h ALA 17 Cb 0.49 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2juw h ALA 17 CO -0.26 -0.43 -0.61 1.49 0.00 0.00 0.00 179.25 179.44 2juw h GLU 18 N 0.06 0.29 -0.73 0.00 4.81 -0.92 -1.95 114.58 116.14 2juw h GLU 18 Ca 0.13 -0.20 -0.03 0.00 -0.13 0.00 0.00 59.36 59.12 2juw h GLU 18 Cb 0.17 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.55 2juw h GLU 18 CO -0.23 0.81 0.32 0.82 -0.73 0.00 0.00 179.01 180.00 2juw h ILE 19 N 0.21 1.24 -0.24 2.32 2.04 -0.78 -0.21 117.51 122.08 2juw h ILE 19 Ca -0.01 -0.71 -0.08 0.00 1.00 0.00 0.00 64.86 65.06 2juw h ILE 19 Cb 1.13 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 2juw h ILE 19 CO 0.10 0.29 -0.18 -0.07 0.00 0.00 0.00 178.15 178.29 2juw h LEU 20 N 1.04 0.42 -1.08 1.44 3.38 -0.83 -2.43 115.31 117.25 2juw h LEU 20 Ca 0.25 -0.12 -0.09 0.00 0.09 0.00 0.00 57.88 58.01 2juw h LEU 20 Cb 0.15 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 2juw h LEU 20 CO -0.03 0.62 -0.28 0.58 0.09 0.00 0.00 178.44 179.42 2juw h VAL 21 N 0.39 1.26 -0.46 1.22 2.07 -0.40 0.19 116.25 120.51 2juw h VAL 21 Ca 0.07 -1.23 -0.12 0.00 0.82 0.00 0.00 66.70 66.24 2juw h VAL 21 Cb 0.55 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.76 2juw h VAL 21 CO 0.04 0.38 -0.16 0.58 0.02 0.00 0.00 177.57 178.42 2juw h VAL 22 N 0.26 1.27 0.31 2.57 2.07 -0.69 0.40 116.25 122.46 2juw h VAL 22 Ca 0.04 -1.31 -0.02 0.00 0.82 0.00 0.00 66.70 66.24 2juw h VAL 22 Cb 0.64 1.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.56 2juw h VAL 22 CO 0.05 0.45 -0.15 -0.07 0.02 0.00 0.00 177.57 177.87 2juw h LEU 23 N 0.77 -0.36 -2.01 2.57 3.38 -1.09 -2.94 115.31 115.64 2juw h LEU 23 Ca 0.11 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2juw h LEU 23 Cb 0.73 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.57 2juw h LEU 23 CO 0.06 -0.24 0.00 -0.08 0.09 0.00 0.00 178.44 178.27 2juw h GLU 24 N -0.44 0.00 -0.79 1.13 4.81 -0.45 0.70 114.58 119.54 2juw h GLU 24 Ca -0.04 0.00 0.11 0.00 -0.13 0.00 0.00 59.36 59.30 2juw h GLU 24 Cb 0.34 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.66 2juw h GLU 24 CO 0.07 0.00 0.52 -0.22 -0.73 0.00 0.00 179.01 178.65 2juw h LYS 25 N 0.00 0.64 0.00 1.92 1.63 0.00 -0.33 116.57 120.44 2juw h LYS 25 Ca 0.00 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.76 2juw h LYS 25 Cb 0.25 -0.14 0.00 0.00 -0.60 0.00 0.00 32.23 31.74 2juw h LYS 25 CO 0.00 0.42 -0.00 -2.39 -3.45 0.00 0.00 179.45 174.03 2juw n HIS 26 N -4.51 0.00 0.00 1.91 1.44 -0.63 -5.00 115.22 108.43 2juw n HIS 26 Ca 0.14 -0.92 0.00 0.00 -2.01 0.00 0.00 57.72 54.93 2juw n HIS 26 Cb 0.38 -0.14 0.00 0.00 0.12 0.00 0.00 29.99 30.35 2juw n HIS 26 CO 0.00 0.00 0.00 1.17 -2.81 0.00 0.00 176.34 174.70 2juw n LYS 27 N -1.30 0.00 -3.10 -1.40 4.81 0.14 -4.78 118.16 112.53 2juw n LYS 27 Ca 0.14 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.48 2juw n LYS 27 Cb 0.59 0.00 0.01 0.00 0.02 0.00 0.00 35.03 35.65 2juw n LYS 27 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2juw n ALA 28 N 0.00 -2.56 -1.21 3.14 0.00 -1.07 -3.97 120.51 114.84 2juw n ALA 28 Ca 0.00 0.34 -0.34 0.00 0.00 0.00 0.00 53.44 53.44 2juw n ALA 28 Cb 0.00 -1.41 0.12 0.00 0.00 0.00 0.00 19.45 18.15 2juw n ALA 28 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2juw n PRO 29 N 0.63 0.33 -0.29 0.00 -0.02 -1.26 -4.57 135.00 129.81 2juw n PRO 29 Ca -0.00 0.18 0.10 0.00 -2.02 0.00 0.00 63.50 61.76 2juw n PRO 29 Cb 0.41 -2.42 0.26 0.00 -0.02 0.00 0.00 33.50 31.73 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 -0.66 0.58 -0.31 3.45 2.02 -1.98 0.55 112.91 116.56 2juw h THR 30 Ca -0.47 -0.16 0.07 0.00 0.77 0.00 0.00 66.41 66.62 2juw h THR 30 Cb 1.31 0.08 -0.06 0.00 -1.74 0.00 0.00 68.15 67.73 2juw h THR 30 CO 0.47 0.08 -0.12 -0.78 0.37 0.00 0.00 175.52 175.55 2juw h ASP 31 N 0.46 -0.40 -0.30 4.18 3.58 -2.00 0.15 116.42 122.09 2juw h ASP 31 Ca 0.50 0.11 -0.11 0.00 0.42 0.00 0.00 57.03 57.95 2juw h ASP 31 Cb 0.85 0.24 -0.01 0.00 1.72 0.00 0.00 39.33 42.13 2juw h ASP 31 CO -0.46 -0.15 -0.23 0.25 -2.88 0.00 0.00 179.24 175.77 2juw h LEU 32 N -0.06 0.72 -0.76 2.28 5.85 -1.32 -2.76 115.31 119.26 2juw h LEU 32 Ca 0.16 -0.45 -0.05 0.00 0.84 0.00 0.00 57.88 58.38 2juw h LEU 32 Cb 0.29 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 2juw h LEU 32 CO -0.35 1.01 0.28 0.28 -0.34 0.00 0.00 178.44 179.32 2juw h SER 33 N 0.43 1.06 -0.35 1.25 0.02 -0.63 -0.58 113.55 114.74 2juw h SER 33 Ca 0.06 -0.18 -0.01 0.00 -0.84 0.00 0.00 61.79 60.81 2juw h SER 33 Cb 0.79 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 63.03 2juw h SER 33 CO 0.06 0.96 0.17 -0.07 -1.14 0.00 0.00 176.83 176.81 2juw h LEU 34 N 1.10 0.46 -0.94 5.07 3.38 -0.67 0.18 115.31 123.89 2juw h LEU 34 Ca 0.25 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 2juw h LEU 34 Cb 0.24 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 2juw h LEU 34 CO -0.02 0.46 0.24 0.24 0.09 0.00 0.00 178.44 179.45 2juw h MET 35 N 0.43 1.01 0.16 1.13 2.86 -1.23 -1.77 114.93 117.53 2juw h MET 35 Ca 0.12 -0.19 -0.01 0.00 -2.06 0.00 0.00 59.70 57.57 2juw h MET 35 Cb 0.12 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.62 2juw h MET 35 CO -0.02 0.84 -0.08 0.00 1.06 0.00 0.00 176.91 178.72 2juw h ALA 36 N 1.28 -0.22 -0.95 6.32 0.00 -0.73 -3.15 119.26 121.81 2juw h ALA 36 Ca 0.22 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.94 2juw h ALA 36 Cb 0.23 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.06 2juw h ALA 36 CO -0.01 -0.39 0.62 -0.07 0.00 0.00 0.00 179.25 179.40 2juw h LEU 37 N -0.68 1.07 -1.06 0.00 -0.00 -0.62 -1.10 115.31 112.93 2juw h LEU 37 Ca -0.02 -0.02 0.07 0.00 -0.00 0.00 0.00 57.88 57.91 2juw h LEU 37 Cb 0.49 -0.26 -0.07 0.00 -0.00 0.00 0.00 40.66 40.83 2juw h LEU 37 CO 0.04 0.76 0.63 1.23 -0.00 0.00 0.00 178.44 181.09 2juw h GLY 38 N 1.25 1.47 1.64 0.83 0.00 -1.38 -0.90 103.07 105.98 2juw h GLY 38 Ca 0.36 -0.45 -0.23 0.00 0.00 0.00 0.00 47.33 47.01 2juw h GLY 38 CO -0.09 0.30 -1.00 3.43 0.00 0.00 0.00 176.54 179.18 2juw h ASN 39 N 1.10 0.42 -0.32 0.19 2.35 -1.34 -3.02 115.58 114.95 2juw h ASN 39 Ca 0.43 -0.36 -0.02 0.00 -0.55 0.00 0.00 56.30 55.79 2juw h ASN 39 Cb 0.23 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 2juw h ASN 39 CO -0.18 1.19 0.12 0.00 -1.65 0.00 0.00 177.43 176.91 2juw h VAL 41 N 0.36 1.12 -0.77 0.00 2.07 -1.28 -1.42 116.25 116.33 2juw h VAL 41 Ca 0.10 -0.31 -0.06 0.00 0.82 0.00 0.00 66.70 67.26 2juw h VAL 41 Cb 0.20 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 2juw h VAL 41 CO -0.01 0.12 0.27 0.74 0.02 0.00 0.00 177.57 178.71 2juw h THR 42 N 0.40 1.26 -0.41 2.57 2.02 -1.38 -2.66 112.91 114.72 2juw h THR 42 Ca 0.11 -0.88 -0.03 0.00 0.77 0.00 0.00 66.41 66.38 2juw h THR 42 Cb 0.04 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 66.81 2juw h THR 42 CO -0.02 0.35 0.12 -0.74 0.37 0.00 0.00 175.52 175.61 2juw h HIS 43 N 1.14 0.59 -0.34 3.16 2.76 0.32 -1.20 115.15 121.59 2juw h HIS 43 Ca 0.25 -0.03 -0.16 0.00 -2.20 0.00 0.00 60.37 58.23 2juw h HIS 43 Cb 0.28 -0.18 -0.00 0.00 1.55 0.00 0.00 27.41 29.05 2juw h HIS 43 CO 0.02 0.50 -0.44 -0.07 -1.30 0.00 0.00 177.93 176.65 2juw h LEU 44 N 0.58 0.94 -0.79 0.26 3.38 -1.02 -2.91 115.31 115.75 2juw h LEU 44 Ca 0.14 -0.45 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 2juw h LEU 44 Cb 0.18 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 2juw h LEU 44 CO -0.01 1.23 0.46 -0.07 0.09 0.00 0.00 178.44 180.14 2juw h LEU 45 N 0.69 0.97 -0.30 1.67 3.38 -0.98 -0.61 115.31 120.14 2juw h LEU 45 Ca 0.04 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2juw h LEU 45 Cb 1.02 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.53 2juw h LEU 45 CO 0.10 0.76 0.00 -0.62 0.09 0.00 0.00 178.44 178.77 2juw n GLU 46 N -4.45 0.12 -0.02 1.13 1.02 -0.54 -2.85 120.64 115.04 2juw n GLU 46 Ca 0.08 0.29 -0.02 0.00 -0.02 0.00 0.00 57.16 57.49 2juw n GLU 46 Cb 0.07 -1.70 -0.01 0.00 -0.02 0.00 0.00 31.44 29.79 2juw n GLU 46 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2juw n ARG 47 N -1.91 0.12 -0.50 3.49 5.12 -0.64 -4.79 116.66 117.55 2juw n ARG 47 Ca 0.04 0.05 0.08 0.00 -1.93 0.00 0.00 57.85 56.08 2juw n ARG 47 Cb 0.25 -0.66 0.29 0.00 -1.16 0.00 0.00 32.46 31.17 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 -2.99 3.42 -4.38 5.56 5.02 -0.33 -4.87 118.16 119.59 2juw n LYS 48 Ca -0.03 -2.74 -0.30 0.00 -2.02 0.00 0.00 58.31 53.21 2juw n LYS 48 Cb 0.12 -1.80 -0.17 0.00 -0.02 0.00 0.00 35.03 33.16 2juw n LYS 48 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2juw s VAL 49 N -2.18 1.69 0.37 -0.18 1.01 -1.13 -5.02 120.40 114.95 2juw s VAL 49 Ca 0.43 -0.74 -0.27 0.00 0.00 0.00 0.00 61.98 61.39 2juw s VAL 49 Cb 0.30 -1.53 -0.11 0.00 0.00 0.00 0.00 36.38 35.04 2juw s VAL 49 CO 0.16 0.48 1.32 -0.81 0.00 0.00 0.00 175.10 176.24 2juw n PRO 50 N 4.34 2.17 0.01 2.72 -0.04 -1.26 -4.61 135.00 138.33 2juw n PRO 50 Ca -0.19 0.76 0.18 0.00 -0.04 0.00 0.00 63.50 64.21 2juw n PRO 50 Cb 0.51 -2.40 0.66 0.00 -0.04 0.00 0.00 33.50 32.23 2juw n PRO 50 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2juw h SER 51 N 2.49 0.06 0.91 3.54 0.02 -1.97 0.13 113.55 118.72 2juw h SER 51 Ca -0.47 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.39 2juw h SER 51 Cb 1.28 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.80 2juw h SER 51 CO 0.62 0.03 -0.43 1.05 -1.14 0.00 0.00 176.83 176.97 2juw h GLU 52 N 0.06 0.00 -0.00 3.45 4.11 -2.00 -3.29 114.58 116.92 2juw h GLU 52 Ca 0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.66 2juw h GLU 52 Cb 0.84 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.09 2juw h GLU 52 CO -0.02 0.43 -0.74 0.45 0.07 0.00 0.00 179.01 179.20 2juw n SER 53 N -3.51 0.84 -0.26 3.06 2.88 0.36 -4.43 113.62 112.56 2juw n SER 53 Ca -0.00 -0.92 -0.03 0.00 -1.33 0.00 0.00 58.87 56.59 2juw n SER 53 Cb 0.56 0.96 0.09 0.00 -0.75 0.00 0.00 64.21 65.07 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 0.13 0.84 -0.55 -1.46 3.08 -1.38 -2.03 114.38 113.01 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 0.40 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.24 2juw h ARG 54 CO 0.00 0.55 0.28 1.96 -1.07 0.00 0.00 179.97 181.69 2juw h GLN 55 N 0.86 0.78 -0.63 0.04 7.50 -1.78 0.21 115.11 122.09 2juw h GLN 55 Ca 0.30 -0.11 -0.00 0.00 0.50 0.00 0.00 58.65 59.34 2juw h GLN 55 Cb 0.05 -0.15 -0.03 0.00 0.05 0.00 0.00 27.48 27.41 2juw h GLN 55 CO -0.12 0.63 0.39 0.00 -1.50 0.00 0.00 178.83 178.22 2juw h ALA 56 N 1.11 0.80 -0.51 3.87 0.00 -1.70 -0.91 119.26 121.92 2juw h ALA 56 Ca 0.19 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 2juw h ALA 56 Cb 0.09 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 2juw h ALA 56 CO -0.03 0.27 0.10 0.28 0.00 0.00 0.00 179.25 179.87 2juw h VAL 57 N 0.85 1.25 -0.68 0.00 2.07 -1.04 -2.73 116.25 115.98 2juw h VAL 57 Ca 0.23 -0.90 0.01 0.00 0.82 0.00 0.00 66.70 66.86 2juw h VAL 57 Cb -0.04 0.85 -0.04 0.00 -1.52 0.00 0.00 31.29 30.54 2juw h VAL 57 CO -0.04 0.32 0.44 0.00 0.02 0.00 0.00 177.57 178.31 2juw h ALA 58 N 0.99 0.87 -0.07 1.67 0.00 -0.40 0.21 119.26 122.52 2juw h ALA 58 Ca 0.16 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 2juw h ALA 58 Cb 0.37 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 2juw h ALA 58 CO 0.01 0.27 0.03 0.93 0.00 0.00 0.00 179.25 180.49 2juw h GLU 59 N 0.90 0.11 -0.02 0.00 5.08 -1.08 -1.12 114.58 118.45 2juw h GLU 59 Ca 0.25 -0.02 -0.13 0.00 -1.00 0.00 0.00 59.36 58.47 2juw h GLU 59 Cb -0.08 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 2juw h GLU 59 CO -0.07 0.21 -0.60 -0.56 -1.00 0.00 0.00 179.01 176.99 2juw h GLN 60 N -0.01 0.07 -0.71 2.33 3.07 -1.28 -0.53 115.11 118.04 2juw h GLN 60 Ca 0.03 -0.05 -0.04 0.00 0.09 0.00 0.00 58.65 58.68 2juw h GLN 60 Cb 0.14 0.01 -0.03 0.00 0.08 0.00 0.00 27.48 27.67 2juw h GLN 60 CO -0.00 0.65 0.30 0.35 0.09 0.00 0.00 178.83 180.22 2juw h PHE 61 N 0.05 1.05 -0.17 0.06 3.57 -0.41 0.18 116.94 121.28 2juw h PHE 61 Ca -0.01 -0.06 -0.19 0.00 3.53 0.00 0.00 57.97 61.25 2juw h PHE 61 Cb 1.07 -0.32 -0.00 0.00 2.79 0.00 0.00 35.95 39.49 2juw h PHE 61 CO 0.01 0.79 -0.65 0.00 -2.23 0.00 0.00 178.31 176.23 2juw h ALA 62 N 1.30 0.54 -0.63 2.41 0.00 -0.78 -2.17 119.26 119.93 2juw h ALA 62 Ca 0.24 -0.56 -0.04 0.00 0.00 0.00 0.00 54.91 54.55 2juw h ALA 62 Cb 0.17 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 2juw h ALA 62 CO -0.02 0.71 0.23 -0.22 0.00 0.00 0.00 179.25 179.94 2juw h LYS 63 N 0.45 0.96 0.03 0.00 3.64 -0.66 -0.01 116.57 120.99 2juw h LYS 63 Ca -0.01 -0.19 -0.00 0.00 -1.27 0.00 0.00 60.65 59.17 2juw h LYS 63 Cb 1.23 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.90 2juw h LYS 63 CO 0.13 0.83 -0.01 0.00 -2.27 0.00 0.00 179.45 178.12 2juw h ALA 64 N 1.09 -0.04 -0.25 5.00 0.00 -0.53 -0.47 119.26 124.05 2juw h ALA 64 Ca 0.21 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.08 2juw h ALA 64 Cb 0.25 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2juw h ALA 64 CO -0.01 -0.48 0.14 -0.07 0.00 0.00 0.00 179.25 178.83 2juw h LEU 65 N -0.12 0.23 -1.08 0.00 4.07 -1.27 0.92 115.31 118.05 2juw h LEU 65 Ca -0.00 0.00 0.02 0.00 0.08 0.00 0.00 57.88 57.98 2juw h LEU 65 Cb 0.11 -0.04 -0.05 0.00 1.08 0.00 0.00 40.66 41.76 2juw h LEU 65 CO 0.01 0.17 0.62 0.00 -1.08 0.00 0.00 178.44 178.15 2juw h ALA 66 N 1.11 1.35 -0.23 1.53 0.00 -0.87 -1.04 119.26 121.11 2juw h ALA 66 Ca 0.10 -0.06 -0.18 0.00 0.00 0.00 0.00 54.91 54.77 2juw h ALA 66 Cb 0.00 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 17.43 2juw h ALA 66 CO -0.05 0.59 -0.59 0.37 0.00 0.00 0.00 179.25 179.56 2juw h GLN 67 N 1.24 0.74 -0.67 0.00 5.75 -0.72 -2.65 115.11 118.80 2juw h GLN 67 Ca 0.35 -0.49 -0.01 0.00 -0.15 0.00 0.00 58.65 58.35 2juw h GLN 67 Cb -0.10 0.07 -0.03 0.00 1.07 0.00 0.00 27.48 28.49 2juw h GLN 67 CO -0.09 1.12 0.38 0.77 -2.65 0.00 0.00 178.83 178.36 2juw h SER 68 N 0.56 0.83 -0.47 -0.69 0.02 -0.08 0.30 113.55 114.01 2juw h SER 68 Ca 0.00 -0.09 -0.03 0.00 -0.84 0.00 0.00 61.79 60.83 2juw h SER 68 Cb 1.18 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 63.49 2juw h SER 68 CO 0.12 0.68 0.16 0.58 -1.14 0.00 0.00 176.83 177.23 2juw h VAL 69 N 0.91 1.22 0.23 2.27 2.07 -1.21 -1.92 116.25 119.82 2juw h VAL 69 Ca 0.24 -0.71 -0.01 0.00 0.82 0.00 0.00 66.70 67.04 2juw h VAL 69 Cb 0.02 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 30.59 2juw h VAL 69 CO -0.04 0.26 -0.11 0.11 0.02 0.00 0.00 177.57 177.81 2juw h LYS 70 N 0.62 -0.29 -0.29 1.57 1.57 -1.09 -3.10 116.57 115.56 2juw h LYS 70 Ca 0.15 0.02 0.06 0.00 -1.87 0.00 0.00 60.65 59.02 2juw h LYS 70 Cb 0.24 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 2juw h LYS 70 CO -0.01 -0.06 0.21 1.03 -0.57 0.00 0.00 179.45 180.04 2juw h SER 71 N -0.48 0.11 -0.44 0.86 0.87 -0.34 0.11 113.55 114.24 2juw h SER 71 Ca -0.03 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.50 2juw h SER 71 Cb 0.36 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.28 2juw h SER 71 CO 0.05 0.07 0.18 -1.13 -0.53 0.00 0.00 176.83 175.48 2juw h ASN 72 N 0.12 0.64 0.00 6.23 -0.73 -1.27 -2.90 115.58 117.67 2juw h ASN 72 Ca 0.13 -0.08 0.00 0.00 1.87 0.00 0.00 56.30 58.23 2juw h ASN 72 Cb 0.38 -0.16 0.00 0.00 0.27 0.00 0.00 38.32 38.81 2juw h ASN 72 CO -0.02 0.59 -1.39 0.18 -0.37 0.00 0.00 177.43 176.42 2juw n LEU 73 N -4.34 0.52 -4.57 0.34 4.77 -0.42 -4.93 117.00 108.37 2juw n LEU 73 Ca 0.04 -0.28 -0.42 0.00 -0.03 0.00 0.00 56.01 55.32 2juw n LEU 73 Cb 0.16 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.23 2juw n LEU 73 CO 0.38 0.13 1.16 -0.70 -1.33 0.00 0.00 177.39 177.03 2juw s GLU 74 N -3.14 3.38 0.04 3.23 -6.30 0.26 -4.31 118.70 111.86 2juw s GLU 74 Ca 0.01 0.23 0.00 0.00 -2.50 0.00 0.00 54.97 52.71 2juw s GLU 74 Cb 0.14 -4.08 0.00 0.00 0.00 0.00 0.00 34.13 30.19 2juw s GLU 74 CO 0.84 -1.86 0.00 1.58 0.02 0.00 0.00 175.26 175.84 2juw n HIS 75 N 9.01 -2.15 -0.06 5.30 -0.00 -1.26 -4.91 115.22 121.15 2juw n HIS 75 Ca 0.09 0.13 -0.06 0.00 0.46 0.00 0.00 57.72 58.34 2juw n HIS 75 Cb 0.49 0.68 -0.06 0.00 -0.12 0.00 0.00 29.99 30.98 2juw n HIS 75 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 2juw h HIS 76 N 0.00 0.00 -3.76 1.57 3.86 -2.00 -3.44 115.15 111.39 2juw h HIS 76 Ca 0.00 0.00 -0.63 0.00 -1.16 0.00 0.00 60.37 58.58 2juw h HIS 76 Cb 0.00 0.00 -0.15 0.00 1.06 0.00 0.00 27.41 28.32 2juw h HIS 76 CO 0.00 0.43 -0.32 -1.58 0.86 0.00 0.00 177.93 177.32 2juw s HIS 77 N -1.84 3.25 0.21 2.45 5.65 -1.26 -5.06 115.29 118.68 2juw s HIS 77 Ca -0.08 0.34 0.09 0.00 0.25 0.00 0.00 55.06 55.65 2juw s HIS 77 Cb -0.01 -2.51 -0.05 0.00 -1.18 0.00 0.00 32.58 28.83 2juw s HIS 77 CO 0.30 -0.19 -0.18 -1.01 -0.65 0.00 0.00 174.74 173.01 2juw s HIS 78 N 1.92 1.91 -0.04 3.88 0.09 -1.26 -4.87 115.29 116.92 2juw s HIS 78 Ca 0.13 -0.47 0.02 0.00 -0.00 0.00 0.00 55.06 54.73 2juw s HIS 78 Cb -0.16 -0.90 -0.04 0.00 -0.00 0.00 0.00 32.58 31.49 2juw s HIS 78 CO 0.10 0.44 -0.01 -2.39 -0.00 0.00 0.00 174.74 172.87 2juw n HIS 79 N -0.16 0.00 0.00 1.40 1.44 -1.26 -5.19 115.22 111.45 2juw n HIS 79 Ca -0.09 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.62 2juw n HIS 79 Cb 0.59 -0.17 0.00 0.00 0.12 0.00 0.00 29.99 30.53 2juw n HIS 79 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25