#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 4.69 -1.17 3.04 0.00 -1.26 -5.01 121.76 122.05 2juw s ALA 2 Ca 0.00 -2.04 -0.20 0.00 0.00 0.00 0.00 51.96 49.72 2juw s ALA 2 Cb 0.00 -1.35 0.07 0.00 0.00 0.00 0.00 23.12 21.84 2juw s ALA 2 CO 0.00 -0.83 1.60 0.42 0.00 0.00 0.00 175.76 176.95 2juw s ILE 3 N -2.69 4.07 0.00 0.00 -1.09 -1.26 -4.40 121.20 115.83 2juw s ILE 3 Ca 0.58 -1.45 0.07 0.00 -2.23 0.00 0.00 60.65 57.62 2juw s ILE 3 Cb -0.05 -5.12 0.11 0.00 -1.58 0.00 0.00 42.46 35.82 2juw s ILE 3 CO 0.37 -1.97 0.93 1.67 -1.23 0.00 0.00 174.94 174.70 2juw n GLN 4 N 8.49 0.00 -1.77 2.79 7.27 -1.26 -5.01 117.38 127.89 2juw n GLN 4 Ca 0.41 -1.03 -0.42 0.00 0.07 0.00 0.00 57.00 56.03 2juw n GLN 4 Cb 0.48 0.03 0.00 0.00 2.41 0.00 0.00 30.24 33.16 2juw n GLN 4 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 2juw n SER 5 N 0.13 3.97 0.00 1.69 7.64 -1.26 -4.74 113.62 121.05 2juw n SER 5 Ca -0.06 -2.86 0.00 0.00 1.01 0.00 0.00 58.87 56.96 2juw n SER 5 Cb 0.77 -1.65 0.00 0.00 -1.01 0.00 0.00 64.21 62.32 2juw n SER 5 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2juw n LYS 6 N 5.94 0.00 -3.81 1.43 5.02 -1.26 -4.67 118.16 120.81 2juw n LYS 6 Ca 0.51 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.75 2juw n LYS 6 Cb 0.39 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.38 2juw n LYS 6 CO 0.00 0.00 0.00 1.52 -0.52 0.00 0.00 177.40 178.40 2juw s TYR 7 N 0.00 -0.14 0.27 2.13 -0.85 -1.26 -5.14 117.35 112.36 2juw s TYR 7 Ca 0.00 -0.25 0.03 0.00 -0.52 0.00 0.00 57.07 56.33 2juw s TYR 7 Cb 0.00 0.68 -0.03 0.00 0.38 0.00 0.00 41.96 42.99 2juw s TYR 7 CO 0.00 -1.05 0.22 -1.12 -1.52 0.00 0.00 175.55 172.08 2juw s SER 8 N -2.95 1.01 0.14 -0.18 0.01 -1.26 -5.02 113.70 105.45 2juw s SER 8 Ca 0.12 -1.59 -0.20 0.00 1.31 0.00 0.00 55.95 55.58 2juw s SER 8 Cb -0.04 0.48 0.01 0.00 0.21 0.00 0.00 66.02 66.68 2juw s SER 8 CO 0.05 -0.97 1.67 -1.13 0.41 0.00 0.00 173.24 173.27 2juw h ASN 9 N 2.34 -0.39 0.06 2.44 -1.24 -2.01 -0.88 115.58 115.90 2juw h ASN 9 Ca -0.30 0.09 -0.04 0.00 0.71 0.00 0.00 56.30 56.77 2juw h ASN 9 Cb 1.24 0.21 -0.01 0.00 0.73 0.00 0.00 38.32 40.49 2juw h ASN 9 CO 0.43 -0.15 -0.12 0.74 -1.29 0.00 0.00 177.43 177.04 2juw h THR 10 N -0.10 1.14 -0.18 -3.57 2.02 -1.98 0.68 112.91 110.92 2juw h THR 10 Ca 0.12 -0.62 -0.06 0.00 0.77 0.00 0.00 66.41 66.62 2juw h THR 10 Cb 0.28 1.21 -0.00 0.00 -1.74 0.00 0.00 68.15 67.89 2juw h THR 10 CO -0.28 0.19 -0.11 -0.61 0.37 0.00 0.00 175.52 175.08 2juw h GLN 11 N 0.13 0.40 -0.42 6.66 5.75 -1.64 0.64 115.11 126.63 2juw h GLN 11 Ca 0.03 -0.18 -0.03 0.00 -0.15 0.00 0.00 58.65 58.32 2juw h GLN 11 Cb 0.30 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.82 2juw h GLN 11 CO 0.02 0.71 0.16 0.28 -2.65 0.00 0.00 178.83 177.35 2juw h VAL 12 N 0.08 1.21 -0.72 2.39 2.07 -0.80 -2.31 116.25 118.16 2juw h VAL 12 Ca 0.04 -0.65 0.10 0.00 0.82 0.00 0.00 66.70 67.01 2juw h VAL 12 Cb 0.60 0.85 -0.07 0.00 -1.52 0.00 0.00 31.29 31.15 2juw h VAL 12 CO 0.03 0.23 0.35 -0.08 0.02 0.00 0.00 177.57 178.13 2juw h GLU 13 N 0.53 0.57 -0.84 1.57 4.81 -0.76 0.69 114.58 121.16 2juw h GLU 13 Ca 0.14 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.31 2juw h GLU 13 Cb 0.21 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.43 2juw h GLU 13 CO -0.01 0.38 0.43 0.77 -0.73 0.00 0.00 179.01 179.85 2juw h SER 14 N 0.59 1.07 -0.16 1.04 0.02 -0.54 -0.65 113.55 114.92 2juw h SER 14 Ca 0.36 -0.12 -0.07 0.00 -0.84 0.00 0.00 61.79 61.13 2juw h SER 14 Cb 0.40 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.67 2juw h SER 14 CO -0.29 0.88 -0.16 -0.07 -1.14 0.00 0.00 176.83 176.05 2juw h LEU 15 N 1.18 0.42 -0.44 5.07 4.07 -0.76 -2.40 115.31 122.45 2juw h LEU 15 Ca 0.29 -0.48 0.06 0.00 0.08 0.00 0.00 57.88 57.83 2juw h LEU 15 Cb 0.07 -0.12 -0.05 0.00 1.08 0.00 0.00 40.66 41.64 2juw h LEU 15 CO -0.04 0.82 0.12 0.40 -1.08 0.00 0.00 178.44 178.66 2juw h ILE 16 N 0.03 0.82 -0.85 1.22 2.04 -0.68 -0.34 117.51 119.75 2juw h ILE 16 Ca 0.02 -0.09 0.01 0.00 1.00 0.00 0.00 64.86 65.80 2juw h ILE 16 Cb 0.70 0.52 -0.04 0.00 -0.74 0.00 0.00 36.82 37.26 2juw h ILE 16 CO 0.04 0.05 0.56 0.00 0.00 0.00 0.00 178.15 178.80 2juw h ALA 17 N 1.31 1.41 -0.42 1.87 0.00 -1.10 0.14 119.26 122.46 2juw h ALA 17 Ca 0.21 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.93 2juw h ALA 17 Cb 0.23 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2juw h ALA 17 CO -0.24 0.54 -0.24 1.49 0.00 0.00 0.00 179.25 180.81 2juw h GLU 18 N 1.14 0.91 -0.33 0.00 4.81 -0.78 -0.75 114.58 119.58 2juw h GLU 18 Ca 0.32 -0.41 -0.08 0.00 -0.13 0.00 0.00 59.36 59.05 2juw h GLU 18 Cb -0.11 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.24 2juw h GLU 18 CO -0.07 1.07 -0.12 0.82 -0.73 0.00 0.00 179.01 179.97 2juw h ILE 19 N 0.74 1.24 -0.38 2.32 2.04 -0.53 -1.97 117.51 120.97 2juw h ILE 19 Ca 0.09 -1.07 -0.05 0.00 1.00 0.00 0.00 64.86 64.83 2juw h ILE 19 Cb 0.81 1.12 -0.02 0.00 -0.74 0.00 0.00 36.82 37.99 2juw h ILE 19 CO 0.07 0.35 0.01 -0.07 0.00 0.00 0.00 178.15 178.51 2juw h LEU 20 N 0.53 0.56 -0.92 1.44 3.38 -0.32 -1.73 115.31 118.24 2juw h LEU 20 Ca 0.10 -0.11 0.02 0.00 0.09 0.00 0.00 57.88 57.98 2juw h LEU 20 Cb 0.52 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.08 2juw h LEU 20 CO 0.03 0.62 0.60 0.58 0.09 0.00 0.00 178.44 180.37 2juw h VAL 21 N 0.56 1.19 0.52 1.22 2.07 -0.39 0.39 116.25 121.82 2juw h VAL 21 Ca 0.12 -0.41 -0.02 0.00 0.82 0.00 0.00 66.70 67.21 2juw h VAL 21 Cb 0.35 -0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.01 2juw h VAL 21 CO 0.01 0.22 -0.32 0.58 0.02 0.00 0.00 177.57 178.08 2juw h VAL 22 N 1.20 0.35 -0.69 2.57 2.07 -0.95 0.26 116.25 121.05 2juw h VAL 22 Ca 0.35 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.97 2juw h VAL 22 Cb -0.07 0.35 -0.07 0.00 -1.52 0.00 0.00 31.29 29.98 2juw h VAL 22 CO -0.10 0.00 0.33 -0.07 0.02 0.00 0.00 177.57 177.75 2juw h LEU 23 N -0.80 0.41 -0.93 2.57 3.38 -1.02 -2.28 115.31 116.66 2juw h LEU 23 Ca -0.06 0.07 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 2juw h LEU 23 Cb 0.65 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 2juw h LEU 23 CO 0.07 0.23 -0.54 -0.08 0.09 0.00 0.00 178.44 178.22 2juw h GLU 24 N 0.56 0.00 -0.76 1.13 4.81 -0.01 -1.93 114.58 118.38 2juw h GLU 24 Ca 0.34 0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.65 2juw h GLU 24 Cb 0.38 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.70 2juw h GLU 24 CO -0.28 0.54 0.43 -0.22 -0.73 0.00 0.00 179.01 178.74 2juw h LYS 25 N 0.00 0.72 -0.00 1.92 3.64 0.11 -0.87 116.57 122.10 2juw h LYS 25 Ca -0.01 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2juw h LYS 25 Cb 0.95 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.61 2juw h LYS 25 CO 0.07 0.48 -0.37 0.72 -2.27 0.00 0.00 179.45 178.08 2juw n HIS 26 N -4.76 0.00 -3.33 1.91 8.25 -1.11 -4.96 115.22 111.21 2juw n HIS 26 Ca 0.11 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.40 2juw n HIS 26 Cb 0.23 -0.25 0.07 0.00 1.12 0.00 0.00 29.99 31.16 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 -1.30 -2.48 -2.86 -0.41 4.81 -0.33 -4.95 118.16 110.64 2juw n LYS 27 Ca 0.08 0.81 -0.41 0.00 -0.87 0.00 0.00 58.31 57.91 2juw n LYS 27 Cb 0.33 -5.59 -0.04 0.00 0.02 0.00 0.00 35.03 29.76 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 -3.40 3.47 1.06 3.14 0.00 -0.78 -5.03 121.76 120.21 2juw s ALA 28 Ca 0.42 0.12 -0.15 0.00 0.00 0.00 0.00 51.96 52.35 2juw s ALA 28 Cb -0.07 -3.25 0.22 0.00 0.00 0.00 0.00 23.12 20.02 2juw s ALA 28 CO 0.76 -0.59 1.11 -1.25 0.00 0.00 0.00 175.76 175.79 2juw s PRO 29 N 1.99 -0.06 0.39 0.00 0.04 -1.26 -4.75 135.00 131.35 2juw s PRO 29 Ca 0.40 0.28 0.09 0.00 0.04 0.00 0.00 61.00 61.81 2juw s PRO 29 Cb -0.17 -1.70 0.80 0.00 0.04 0.00 0.00 34.50 33.47 2juw s PRO 29 CO 0.14 -3.01 1.94 1.15 0.04 0.00 0.00 177.00 177.26 2juw h THR 30 N -2.09 1.16 0.18 1.26 2.02 -1.98 -0.58 112.91 112.87 2juw h THR 30 Ca -0.51 -0.65 -0.01 0.00 0.77 0.00 0.00 66.41 66.00 2juw h THR 30 Cb 1.32 1.07 0.00 0.00 -1.74 0.00 0.00 68.15 68.80 2juw h THR 30 CO 0.51 0.21 -0.08 0.44 0.37 0.00 0.00 175.52 176.97 2juw h ASP 31 N 0.30 -0.20 0.24 4.18 3.32 -2.00 -1.77 116.42 120.49 2juw h ASP 31 Ca 0.07 -0.14 -0.15 0.00 0.02 0.00 0.00 57.03 56.83 2juw h ASP 31 Cb 0.29 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 2juw h ASP 31 CO 0.01 0.02 -0.56 0.25 -1.72 0.00 0.00 179.24 177.24 2juw h LEU 32 N -0.42 0.37 -0.32 1.55 5.85 -1.85 -2.46 115.31 118.03 2juw h LEU 32 Ca -0.02 -0.20 -0.10 0.00 0.84 0.00 0.00 57.88 58.39 2juw h LEU 32 Cb 0.33 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 2juw h LEU 32 CO 0.04 0.86 -0.19 0.77 -0.34 0.00 0.00 178.44 179.57 2juw h SER 33 N 0.26 0.72 -0.88 1.25 4.64 -1.09 -0.36 113.55 118.10 2juw h SER 33 Ca 0.00 -0.43 0.04 0.00 -0.47 0.00 0.00 61.79 60.93 2juw h SER 33 Cb 1.06 -0.20 -0.05 0.00 -0.31 0.00 0.00 62.40 62.90 2juw h SER 33 CO 0.09 0.99 0.57 -0.07 -0.87 0.00 0.00 176.83 177.54 2juw h LEU 34 N 0.46 0.94 -0.32 5.97 3.38 -1.25 0.35 115.31 124.84 2juw h LEU 34 Ca 0.07 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 2juw h LEU 34 Cb 0.74 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 2juw h LEU 34 CO 0.05 0.64 0.20 -0.03 0.09 0.00 0.00 178.44 179.39 2juw h MET 35 N 1.10 0.43 -0.26 1.13 4.05 -1.19 -1.88 114.93 118.30 2juw h MET 35 Ca 0.35 -0.04 -0.04 0.00 -0.28 0.00 0.00 59.70 59.69 2juw h MET 35 Cb 0.02 -0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 30.72 2juw h MET 35 CO -0.12 0.32 -0.01 0.00 0.23 0.00 0.00 176.91 177.33 2juw h ALA 36 N 1.08 0.36 -0.23 0.39 0.00 -0.48 -3.21 119.26 117.16 2juw h ALA 36 Ca 0.11 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 54.83 2juw h ALA 36 Cb -0.00 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 2juw h ALA 36 CO -0.02 0.10 -0.00 -0.07 0.00 0.00 0.00 179.25 179.26 2juw h LEU 37 N 0.25 -0.09 -2.43 0.00 -0.00 -0.19 0.12 115.31 112.96 2juw h LEU 37 Ca 0.07 0.05 0.00 0.00 -0.00 0.00 0.00 57.88 58.01 2juw h LEU 37 Cb 0.43 0.09 0.00 0.00 -0.00 0.00 0.00 40.66 41.19 2juw h LEU 37 CO 0.02 -0.02 0.00 1.23 -0.00 0.00 0.00 178.44 179.67 2juw h GLY 38 N 0.07 0.00 0.18 0.83 0.00 -1.37 -0.53 103.07 102.25 2juw h GLY 38 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 47.07 2juw h GLY 38 CO -0.19 0.00 -2.11 0.70 0.00 0.00 0.00 176.54 174.94 2juw n ASN 39 N -2.93 2.00 -0.13 0.19 3.02 -0.66 -3.89 115.26 112.86 2juw n ASN 39 Ca -0.02 0.18 -0.12 0.00 -0.03 0.00 0.00 54.58 54.59 2juw n ASN 39 Cb 0.11 -0.74 -0.02 0.00 -0.61 0.00 0.00 39.78 38.51 2juw n ASN 39 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2juw h VAL 41 N 0.56 1.07 0.00 0.00 2.07 -1.34 -1.12 116.25 117.49 2juw h VAL 41 Ca 0.09 -0.14 -0.00 0.00 0.82 0.00 0.00 66.70 67.47 2juw h VAL 41 Cb 0.68 0.70 -0.00 0.00 -1.52 0.00 0.00 31.29 31.15 2juw h VAL 41 CO 0.05 0.07 -0.02 0.74 0.02 0.00 0.00 177.57 178.42 2juw h THR 42 N 0.35 0.05 -0.11 2.57 2.02 -1.64 0.06 112.91 116.21 2juw h THR 42 Ca 0.09 -0.85 -0.23 0.00 0.77 0.00 0.00 66.41 66.19 2juw h THR 42 Cb -0.03 1.81 0.01 0.00 -1.74 0.00 0.00 68.15 68.20 2juw h THR 42 CO -0.02 0.02 -0.85 -0.74 0.37 0.00 0.00 175.52 174.30 2juw h HIS 43 N 0.00 1.04 -0.37 3.16 2.76 -0.23 -1.17 115.15 120.33 2juw h HIS 43 Ca -0.00 -0.49 -0.11 0.00 -2.20 0.00 0.00 60.37 57.57 2juw h HIS 43 Cb 0.81 -0.15 -0.01 0.00 1.55 0.00 0.00 27.41 29.61 2juw h HIS 43 CO 0.00 1.32 -0.23 -0.07 -1.30 0.00 0.00 177.93 177.65 2juw h LEU 44 N 0.49 0.76 -1.72 0.26 3.38 -0.81 -1.10 115.31 116.56 2juw h LEU 44 Ca -0.07 -0.27 -0.03 0.00 0.09 0.00 0.00 57.88 57.59 2juw h LEU 44 Cb 1.48 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 42.02 2juw h LEU 44 CO 0.17 0.97 -0.14 0.25 0.09 0.00 0.00 178.44 179.78 2juw h LEU 45 N 0.65 0.00 0.09 1.67 6.46 -0.89 0.13 115.31 123.42 2juw h LEU 45 Ca 0.09 0.00 -0.24 0.00 -0.12 0.00 0.00 57.88 57.61 2juw h LEU 45 Cb 0.74 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.66 2juw h LEU 45 CO 0.06 0.14 -1.25 -0.08 -0.62 0.00 0.00 178.44 176.69 2juw h GLU 46 N 0.00 0.19 0.23 1.25 4.22 -0.84 -3.25 114.58 116.37 2juw h GLU 46 Ca -0.00 -0.33 -0.34 0.00 0.08 0.00 0.00 59.36 58.77 2juw h GLU 46 Cb 0.44 0.12 0.03 0.00 0.50 0.00 0.00 28.75 29.84 2juw h GLU 46 CO 0.02 1.16 -1.56 -0.09 -2.18 0.00 0.00 179.01 176.36 2juw h ARG 47 N -0.45 0.48 -0.03 1.92 2.43 -1.05 -3.34 114.38 114.34 2juw h ARG 47 Ca -0.28 -0.82 0.00 0.00 -0.81 0.00 0.00 59.98 58.07 2juw h ARG 47 Cb 1.63 0.31 0.00 0.00 -0.42 0.00 0.00 29.97 31.49 2juw h ARG 47 CO 0.02 1.39 -0.03 1.63 -1.51 0.00 0.00 179.97 181.47 2juw n LYS 48 N -3.66 2.20 -4.96 0.20 5.02 0.45 -4.85 118.16 112.55 2juw n LYS 48 Ca -0.19 -1.84 -0.29 0.00 -2.02 0.00 0.00 58.31 53.97 2juw n LYS 48 Cb 1.09 -1.45 -0.17 0.00 -0.02 0.00 0.00 35.03 34.48 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 -1.99 1.67 0.61 -0.18 1.01 -1.23 -5.01 120.40 115.27 2juw s VAL 49 Ca 0.27 -0.80 -0.18 0.00 0.00 0.00 0.00 61.98 61.27 2juw s VAL 49 Cb 0.19 -1.46 -0.05 0.00 0.00 0.00 0.00 36.38 35.07 2juw s VAL 49 CO 0.31 0.47 0.92 -0.81 0.00 0.00 0.00 175.10 175.99 2juw n PRO 50 N 3.54 0.83 -0.04 2.72 -0.04 -1.26 -4.65 135.00 136.10 2juw n PRO 50 Ca -0.20 0.32 -0.11 0.00 -0.04 0.00 0.00 63.50 63.47 2juw n PRO 50 Cb 0.52 -2.12 -0.05 0.00 -0.04 0.00 0.00 33.50 31.81 2juw n PRO 50 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2juw h SER 51 N 0.40 -1.32 -0.44 3.54 4.64 -1.94 -0.72 113.55 117.72 2juw h SER 51 Ca -0.48 0.19 -0.06 0.00 -0.47 0.00 0.00 61.79 60.96 2juw h SER 51 Cb 1.37 0.55 -0.02 0.00 -0.31 0.00 0.00 62.40 63.99 2juw h SER 51 CO 0.50 -0.40 0.08 -0.33 -0.87 0.00 0.00 176.83 175.81 2juw h GLU 52 N -0.43 0.79 0.00 4.77 5.08 -2.01 -2.68 114.58 120.10 2juw h GLU 52 Ca 0.10 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 2juw h GLU 52 Cb 0.60 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.74 2juw h GLU 52 CO -0.45 0.75 0.00 1.03 -1.00 0.00 0.00 179.01 179.34 2juw h SER 53 N 0.76 0.00 -0.78 1.42 0.87 -1.66 -3.22 113.55 110.93 2juw h SER 53 Ca 0.16 0.00 0.12 0.00 -1.23 0.00 0.00 61.79 60.84 2juw h SER 53 Cb 0.35 0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 62.23 2juw h SER 53 CO 0.01 0.00 0.40 0.03 -0.53 0.00 0.00 176.83 176.73 2juw h ARG 54 N 0.00 0.61 0.27 2.24 3.08 -0.81 0.11 114.38 119.88 2juw h ARG 54 Ca 0.00 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 2juw h ARG 54 Cb 0.74 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.65 2juw h ARG 54 CO 0.00 0.40 -0.14 1.96 -1.07 0.00 0.00 179.97 181.12 2juw h GLN 55 N 0.62 -0.37 -0.47 0.04 4.20 -1.73 0.45 115.11 117.86 2juw h GLN 55 Ca 0.40 0.03 -0.01 0.00 0.06 0.00 0.00 58.65 59.13 2juw h GLN 55 Cb 0.49 0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.33 2juw h GLN 55 CO -0.31 -0.25 0.27 0.00 -0.67 0.00 0.00 178.83 177.87 2juw h ALA 56 N 0.34 0.60 -0.12 3.87 0.00 -1.56 -0.22 119.26 122.17 2juw h ALA 56 Ca -0.03 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2juw h ALA 56 Cb 0.30 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2juw h ALA 56 CO 0.05 0.11 0.08 0.28 0.00 0.00 0.00 179.25 179.76 2juw h VAL 57 N 0.62 1.04 -0.45 0.00 2.07 -0.67 0.60 116.25 119.46 2juw h VAL 57 Ca 0.17 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.59 2juw h VAL 57 Cb 0.03 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 2juw h VAL 57 CO -0.03 0.04 0.26 0.00 0.02 0.00 0.00 177.57 177.86 2juw h ALA 58 N 1.03 0.57 -0.07 1.67 0.00 -0.67 0.21 119.26 122.01 2juw h ALA 58 Ca 0.04 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2juw h ALA 58 Cb -0.00 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 2juw h ALA 58 CO -0.01 0.08 0.04 0.93 0.00 0.00 0.00 179.25 180.29 2juw h GLU 59 N 0.59 0.10 -0.24 0.00 5.08 -0.84 0.63 114.58 119.89 2juw h GLU 59 Ca 0.16 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.49 2juw h GLU 59 Cb 0.03 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 2juw h GLU 59 CO -0.03 0.14 0.08 1.96 -1.00 0.00 0.00 179.01 180.17 2juw h GLN 60 N 0.03 0.36 -0.23 2.33 4.20 -0.68 -0.54 115.11 120.59 2juw h GLN 60 Ca 0.02 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 2juw h GLN 60 Cb 0.07 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 2juw h GLN 60 CO -0.00 0.43 0.10 0.35 -0.67 0.00 0.00 178.83 179.04 2juw h PHE 61 N 0.22 0.34 -0.71 2.96 3.57 -0.51 -0.17 116.94 122.64 2juw h PHE 61 Ca 0.08 -0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.50 2juw h PHE 61 Cb 0.21 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 38.82 2juw h PHE 61 CO -0.00 0.34 0.22 0.00 -2.23 0.00 0.00 178.31 176.64 2juw h ALA 62 N 0.96 1.04 -0.54 2.41 0.00 -0.80 0.23 119.26 122.56 2juw h ALA 62 Ca 0.08 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 54.65 2juw h ALA 62 Cb 0.14 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2juw h ALA 62 CO -0.01 0.65 -0.11 -0.22 0.00 0.00 0.00 179.25 179.55 2juw h LYS 63 N 1.06 1.03 -0.32 0.00 3.64 -0.91 -0.67 116.57 120.40 2juw h LYS 63 Ca 0.23 -0.39 -0.10 0.00 -1.27 0.00 0.00 60.65 59.12 2juw h LYS 63 Cb 0.30 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 2juw h LYS 63 CO -0.01 1.08 -0.23 0.00 -2.27 0.00 0.00 179.45 178.02 2juw h ALA 64 N 0.92 1.00 0.55 5.00 0.00 -0.63 -0.59 119.26 125.51 2juw h ALA 64 Ca 0.14 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 2juw h ALA 64 Cb 0.69 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.35 2juw h ALA 64 CO 0.05 0.59 -0.27 1.25 0.00 0.00 0.00 179.25 180.88 2juw h LEU 65 N 0.55 -0.63 -1.66 0.00 5.85 -0.20 0.13 115.31 119.34 2juw h LEU 65 Ca 0.08 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 2juw h LEU 65 Cb 0.70 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.88 2juw h LEU 65 CO 0.05 -0.41 -0.08 0.00 -0.34 0.00 0.00 178.44 177.66 2juw h ALA 66 N -0.37 1.72 -0.13 1.25 0.00 -1.09 -2.43 119.26 118.22 2juw h ALA 66 Ca -0.08 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.64 2juw h ALA 66 Cb 0.59 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 2juw h ALA 66 CO 0.12 0.21 -0.18 0.37 0.00 0.00 0.00 179.25 179.77 2juw h GLN 67 N 0.11 0.36 0.00 0.00 4.15 -0.84 -2.97 115.11 115.93 2juw h GLN 67 Ca 0.03 -0.21 -0.03 0.00 0.77 0.00 0.00 58.65 59.21 2juw h GLN 67 Cb 0.22 0.02 -0.00 0.00 0.21 0.00 0.00 27.48 27.92 2juw h GLN 67 CO 0.01 0.78 -0.14 0.66 -1.93 0.00 0.00 178.83 178.21 2juw h SER 68 N -0.04 0.00 0.70 -0.69 4.64 -0.36 0.41 113.55 118.22 2juw h SER 68 Ca 0.01 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.22 2juw h SER 68 Cb 0.74 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.81 2juw h SER 68 CO 0.04 0.14 -0.54 0.58 -0.87 0.00 0.00 176.83 176.18 2juw h VAL 69 N 0.00 1.26 0.04 0.95 2.07 -1.44 -3.24 116.25 115.89 2juw h VAL 69 Ca -0.00 -1.93 -0.32 0.00 0.82 0.00 0.00 66.70 65.27 2juw h VAL 69 Cb 0.47 2.08 -0.04 0.00 -1.52 0.00 0.00 31.29 32.28 2juw h VAL 69 CO 0.02 0.53 -1.81 1.17 0.02 0.00 0.00 177.57 177.50 2juw n LYS 70 N -3.71 0.68 0.00 1.57 4.81 0.34 -3.96 118.16 117.89 2juw n LYS 70 Ca -0.01 0.29 0.12 0.00 -0.87 0.00 0.00 58.31 57.84 2juw n LYS 70 Cb 0.58 -1.77 0.68 0.00 0.02 0.00 0.00 35.03 34.55 2juw n LYS 70 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 2juw n SER 71 N -3.20 0.00 -0.40 3.14 3.41 0.12 -1.98 113.62 114.71 2juw n SER 71 Ca -0.22 -0.61 0.12 0.00 -0.26 0.00 0.00 58.87 57.90 2juw n SER 71 Cb 1.05 -0.05 0.24 0.00 -0.26 0.00 0.00 64.21 65.19 2juw n SER 71 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2juw n ASN 72 N -1.05 1.54 0.16 4.04 5.15 -1.22 -3.96 115.26 119.92 2juw n ASN 72 Ca 0.17 -1.24 0.12 0.00 -0.60 0.00 0.00 54.58 53.03 2juw n ASN 72 Cb 0.10 0.23 0.27 0.00 -0.53 0.00 0.00 39.78 39.85 2juw n ASN 72 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 2juw h LEU 73 N 1.96 0.00 -9.81 1.20 4.07 -1.62 -3.45 115.31 107.67 2juw h LEU 73 Ca 0.00 -0.01 -0.49 0.00 0.08 0.00 0.00 57.88 57.46 2juw h LEU 73 Cb 0.62 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.36 2juw h LEU 73 CO 0.00 0.00 0.39 -1.83 -1.08 0.00 0.00 178.44 175.93 2juw s GLU 74 N -3.16 4.69 -0.41 1.13 -1.05 -1.25 -4.99 118.70 113.66 2juw s GLU 74 Ca 0.08 1.57 -0.29 0.00 -0.15 0.00 0.00 54.97 56.18 2juw s GLU 74 Cb 0.09 -3.12 0.02 0.00 -0.44 0.00 0.00 34.13 30.68 2juw s GLU 74 CO 0.64 0.33 1.10 -1.01 0.95 0.00 0.00 175.26 177.28 2juw s HIS 75 N -1.28 2.97 -0.39 4.83 3.76 -1.26 -4.91 115.29 119.02 2juw s HIS 75 Ca 0.45 0.93 -0.05 0.00 -0.15 0.00 0.00 55.06 56.23 2juw s HIS 75 Cb -0.26 -4.08 -0.06 0.00 1.11 0.00 0.00 32.58 29.28 2juw s HIS 75 CO 0.33 -1.04 3.07 0.72 -0.85 0.00 0.00 174.74 176.97 2juw n HIS 76 N 7.38 1.11 -4.35 1.40 -0.00 -1.26 -4.85 115.22 114.65 2juw n HIS 76 Ca 0.12 -1.88 -0.21 0.00 -0.00 0.00 0.00 57.72 55.74 2juw n HIS 76 Cb 0.48 -1.53 -0.11 0.00 -0.00 0.00 0.00 29.99 28.83 2juw n HIS 76 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2juw s HIS 77 N -0.55 1.86 -0.42 4.41 3.76 -1.26 -5.10 115.29 117.99 2juw s HIS 77 Ca 0.62 -0.48 -0.28 0.00 -0.15 0.00 0.00 55.06 54.77 2juw s HIS 77 Cb 0.34 -0.90 0.02 0.00 1.11 0.00 0.00 32.58 33.16 2juw s HIS 77 CO -0.13 0.39 1.07 -1.01 -0.85 0.00 0.00 174.74 174.21 2juw s HIS 78 N -2.33 2.94 -0.33 1.40 3.76 -1.26 -4.98 115.29 114.49 2juw s HIS 78 Ca 0.19 0.81 -0.29 0.00 -0.15 0.00 0.00 55.06 55.62 2juw s HIS 78 Cb -0.04 -4.11 0.02 0.00 1.11 0.00 0.00 32.58 29.56 2juw s HIS 78 CO 0.08 -1.07 1.06 -1.58 -0.85 0.00 0.00 174.74 172.37 2juw s HIS 79 N 4.06 3.14 -2.62 1.40 5.04 -1.26 -5.28 115.29 119.78 2juw s HIS 79 Ca 0.45 1.14 0.27 0.00 -1.54 0.00 0.00 55.06 55.38 2juw s HIS 79 Cb -0.09 -3.69 0.85 0.00 0.04 0.00 0.00 32.58 29.68 2juw s HIS 79 CO 0.25 -0.78 1.63 0.72 -2.34 0.00 0.00 174.74 174.23