#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 3.14 -0.26 3.17 0.00 -1.26 -5.01 121.76 121.54 2juw s ALA 2 Ca 0.00 -1.76 -0.14 0.00 0.00 0.00 0.00 51.96 50.07 2juw s ALA 2 Cb 0.00 -3.81 -0.04 0.00 0.00 0.00 0.00 23.12 19.27 2juw s ALA 2 CO 0.00 -2.66 0.31 0.42 0.00 0.00 0.00 175.76 173.82 2juw s ILE 3 N 3.93 5.23 0.20 0.00 1.01 -1.26 -4.89 121.20 125.42 2juw s ILE 3 Ca 0.23 0.44 0.09 0.00 0.00 0.00 0.00 60.65 61.40 2juw s ILE 3 Cb -0.17 -3.64 -0.04 0.00 0.01 0.00 0.00 42.46 38.62 2juw s ILE 3 CO 0.12 0.20 -0.17 -1.58 0.00 0.00 0.00 174.94 173.51 2juw s GLN 4 N 1.85 1.36 -0.48 2.79 2.00 -1.25 -5.08 119.66 120.85 2juw s GLN 4 Ca 0.12 -1.53 -0.27 0.00 -2.00 0.00 0.00 55.36 51.68 2juw s GLN 4 Cb -0.16 -1.32 -0.02 0.00 0.80 0.00 0.00 33.01 32.31 2juw s GLN 4 CO 0.10 0.25 1.83 -1.12 -0.50 0.00 0.00 175.29 175.84 2juw s SER 5 N -3.03 5.56 0.00 6.67 0.01 -1.26 -3.54 113.70 118.11 2juw s SER 5 Ca 0.20 0.78 0.00 0.00 1.31 0.00 0.00 55.95 58.25 2juw s SER 5 Cb -0.04 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.66 2juw s SER 5 CO 0.08 -2.07 0.00 1.17 0.41 0.00 0.00 173.24 172.83 2juw n LYS 6 N 8.80 0.00 -4.63 12.44 4.81 -1.26 -4.92 118.16 133.40 2juw n LYS 6 Ca 0.22 0.00 -0.31 0.00 -0.87 0.00 0.00 58.31 57.35 2juw n LYS 6 Cb 0.50 -1.78 -0.12 0.00 0.02 0.00 0.00 35.03 33.64 2juw n LYS 6 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 2juw s TYR 7 N -0.69 2.63 0.01 5.64 2.02 -1.23 -5.12 117.35 120.61 2juw s TYR 7 Ca 0.00 -0.21 0.04 0.00 -0.37 0.00 0.00 57.07 56.53 2juw s TYR 7 Cb 0.00 -1.50 -0.03 0.00 -0.40 0.00 0.00 41.96 40.03 2juw s TYR 7 CO 0.00 0.27 -0.07 -1.12 -1.57 0.00 0.00 175.55 173.06 2juw s SER 8 N -1.41 4.61 0.26 2.29 0.01 -1.26 -3.93 113.70 114.27 2juw s SER 8 Ca 0.15 -0.17 -0.02 0.00 1.31 0.00 0.00 55.95 57.22 2juw s SER 8 Cb -0.11 -1.06 0.45 0.00 0.21 0.00 0.00 66.02 65.51 2juw s SER 8 CO 0.06 0.27 1.84 -1.13 0.41 0.00 0.00 173.24 174.69 2juw h ASN 9 N 4.43 0.88 -0.40 2.44 -0.73 -1.99 -0.26 115.58 119.94 2juw h ASN 9 Ca -0.48 0.03 -0.07 0.00 1.87 0.00 0.00 56.30 57.65 2juw h ASN 9 Cb 1.17 -0.15 -0.02 0.00 0.27 0.00 0.00 38.32 39.59 2juw h ASN 9 CO 0.54 0.51 0.01 0.71 -0.37 0.00 0.00 177.43 178.83 2juw h THR 10 N 0.99 1.24 0.33 -3.57 1.35 -1.98 -1.27 112.91 110.00 2juw h THR 10 Ca 0.44 -0.98 -0.02 0.00 -0.55 0.00 0.00 66.41 65.30 2juw h THR 10 Cb 0.33 0.86 0.00 0.00 -1.73 0.00 0.00 68.15 67.62 2juw h THR 10 CO -0.22 0.35 -0.16 -0.61 -0.25 0.00 0.00 175.52 174.62 2juw h GLN 11 N 0.74 -0.43 -0.21 4.72 4.15 -1.50 0.30 115.11 122.88 2juw h GLN 11 Ca 0.15 0.03 0.01 0.00 0.77 0.00 0.00 58.65 59.61 2juw h GLN 11 Cb 0.43 0.10 -0.02 0.00 0.21 0.00 0.00 27.48 28.20 2juw h GLN 11 CO 0.02 -0.24 0.10 0.28 -1.93 0.00 0.00 178.83 177.06 2juw h VAL 12 N -0.51 1.00 -0.37 2.39 2.07 -1.15 -1.89 116.25 117.79 2juw h VAL 12 Ca -0.05 -0.08 -0.09 0.00 0.82 0.00 0.00 66.70 67.31 2juw h VAL 12 Cb 0.38 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 2juw h VAL 12 CO 0.07 0.04 -0.15 -0.08 0.02 0.00 0.00 177.57 177.47 2juw h GLU 13 N 0.22 0.68 -0.33 1.57 4.81 -1.18 -1.96 114.58 118.38 2juw h GLU 13 Ca 0.08 -0.23 0.04 0.00 -0.13 0.00 0.00 59.36 59.12 2juw h GLU 13 Cb 0.02 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.30 2juw h GLU 13 CO -0.06 0.80 0.10 1.03 -0.73 0.00 0.00 179.01 180.15 2juw h SER 14 N 0.61 0.09 0.10 1.04 0.87 0.05 0.26 113.55 116.57 2juw h SER 14 Ca 0.10 0.04 -0.00 0.00 -1.23 0.00 0.00 61.79 60.70 2juw h SER 14 Cb 0.60 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.61 2juw h SER 14 CO 0.04 0.09 -0.05 -0.07 -0.53 0.00 0.00 176.83 176.31 2juw h LEU 15 N 0.23 -0.12 -0.55 2.23 4.07 -1.07 -2.17 115.31 117.94 2juw h LEU 15 Ca 0.15 -0.01 0.08 0.00 0.08 0.00 0.00 57.88 58.19 2juw h LEU 15 Cb 0.14 0.03 -0.07 0.00 1.08 0.00 0.00 40.66 41.84 2juw h LEU 15 CO -0.17 -0.07 0.19 0.40 -1.08 0.00 0.00 178.44 177.71 2juw h ILE 16 N -0.15 0.79 -0.80 1.22 2.04 -1.00 -0.42 117.51 119.19 2juw h ILE 16 Ca -0.01 -0.13 0.05 0.00 1.00 0.00 0.00 64.86 65.77 2juw h ILE 16 Cb 0.12 0.39 -0.05 0.00 -0.74 0.00 0.00 36.82 36.53 2juw h ILE 16 CO 0.02 0.07 0.50 0.00 0.00 0.00 0.00 178.15 178.74 2juw h ALA 17 N 1.38 1.08 -0.18 1.87 0.00 -0.28 0.38 119.26 123.52 2juw h ALA 17 Ca 0.27 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 55.01 2juw h ALA 17 Cb 0.32 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2juw h ALA 17 CO -0.28 0.27 -0.55 0.93 0.00 0.00 0.00 179.25 179.61 2juw h GLU 18 N 0.94 0.54 -0.89 0.00 5.08 -0.68 -0.08 114.58 119.49 2juw h GLU 18 Ca 0.34 -0.34 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 2juw h GLU 18 Cb 0.10 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.34 2juw h GLU 18 CO -0.14 0.95 0.58 0.82 -1.00 0.00 0.00 179.01 180.22 2juw h ILE 19 N 0.41 1.18 -0.13 3.13 1.08 -0.40 -1.54 117.51 121.25 2juw h ILE 19 Ca 0.01 -0.40 -0.09 0.00 -0.39 0.00 0.00 64.86 63.99 2juw h ILE 19 Cb 1.09 -0.08 -0.01 0.00 -3.07 0.00 0.00 36.82 34.75 2juw h ILE 19 CO 0.10 0.21 -0.30 -0.07 -0.69 0.00 0.00 178.15 177.40 2juw h LEU 20 N 1.16 0.25 -0.57 1.44 3.38 -0.51 -2.74 115.31 117.71 2juw h LEU 20 Ca 0.34 -0.08 0.03 0.00 0.09 0.00 0.00 57.88 58.26 2juw h LEU 20 Cb -0.06 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 2juw h LEU 20 CO -0.10 0.55 0.34 0.58 0.09 0.00 0.00 178.44 179.90 2juw h VAL 21 N 0.22 1.04 0.01 1.22 2.07 0.01 0.39 116.25 121.20 2juw h VAL 21 Ca 0.03 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 67.32 2juw h VAL 21 Cb 0.65 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 2juw h VAL 21 CO 0.05 0.12 -0.00 0.58 0.02 0.00 0.00 177.57 178.34 2juw h VAL 22 N 0.66 1.05 -0.42 2.57 2.07 -1.26 0.14 116.25 121.06 2juw h VAL 22 Ca 0.24 -0.18 0.08 0.00 0.82 0.00 0.00 66.70 67.66 2juw h VAL 22 Cb 0.05 1.17 -0.07 0.00 -1.52 0.00 0.00 31.29 30.93 2juw h VAL 22 CO -0.11 0.05 0.00 -0.07 0.02 0.00 0.00 177.57 177.46 2juw h LEU 23 N -0.09 -0.17 -0.81 2.57 3.38 -1.17 -1.56 115.31 117.47 2juw h LEU 23 Ca -0.00 0.10 -0.10 0.00 0.09 0.00 0.00 57.88 57.96 2juw h LEU 23 Cb 0.08 0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 2juw h LEU 23 CO 0.00 -0.05 -0.23 -0.33 0.09 0.00 0.00 178.44 177.93 2juw h GLU 24 N 0.11 0.64 0.00 1.13 4.39 -0.01 -0.42 114.58 120.43 2juw h GLU 24 Ca 0.21 -0.25 -0.11 0.00 0.34 0.00 0.00 59.36 59.55 2juw h GLU 24 Cb 0.30 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.90 2juw h GLU 24 CO -0.34 0.82 -0.52 -0.22 -1.16 0.00 0.00 179.01 177.58 2juw h LYS 25 N 0.56 0.00 0.00 2.33 3.64 -0.35 -1.17 116.57 121.59 2juw h LYS 25 Ca 0.08 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.42 2juw h LYS 25 Cb 0.69 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.51 2juw h LYS 25 CO 0.05 0.52 -0.22 0.45 -2.27 0.00 0.00 179.45 177.99 2juw h HIS 26 N 0.00 0.00 -5.40 1.91 3.86 -1.07 -3.48 115.15 110.98 2juw h HIS 26 Ca -0.01 0.00 -0.32 0.00 -1.16 0.00 0.00 60.37 58.88 2juw h HIS 26 Cb 1.02 0.00 0.15 0.00 1.06 0.00 0.00 27.41 29.64 2juw h HIS 26 CO 0.00 0.22 -0.69 1.17 0.86 0.00 0.00 177.93 179.49 2juw n LYS 27 N -3.16 -6.43 -2.52 2.45 3.00 -0.21 -4.96 118.16 106.33 2juw n LYS 27 Ca 0.03 0.78 -0.42 0.00 -0.00 0.00 0.00 58.31 58.70 2juw n LYS 27 Cb 0.61 -5.62 -0.03 0.00 0.00 0.00 0.00 35.03 29.99 2juw n LYS 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2juw s ALA 28 N -3.32 3.31 1.09 3.14 0.00 -0.96 -5.03 121.76 119.98 2juw s ALA 28 Ca 0.13 0.74 -0.13 0.00 0.00 0.00 0.00 51.96 52.71 2juw s ALA 28 Cb -0.06 -3.41 0.24 0.00 0.00 0.00 0.00 23.12 19.90 2juw s ALA 28 CO 0.67 -0.36 1.06 -2.14 0.00 0.00 0.00 175.76 174.99 2juw s PRO 29 N 1.02 -0.34 0.25 0.00 0.02 -1.26 -4.50 135.00 130.19 2juw s PRO 29 Ca 0.56 0.71 -0.03 0.00 0.02 0.00 0.00 61.00 62.26 2juw s PRO 29 Cb -0.27 -1.63 0.47 0.00 0.02 0.00 0.00 34.50 33.10 2juw s PRO 29 CO 0.29 -3.30 1.75 1.15 -0.33 0.00 0.00 177.00 176.56 2juw h THR 30 N -2.31 0.72 0.29 0.99 2.02 -1.98 0.45 112.91 113.09 2juw h THR 30 Ca -0.58 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 66.41 2juw h THR 30 Cb 1.33 0.12 -0.04 0.00 -1.74 0.00 0.00 68.15 67.82 2juw h THR 30 CO 0.53 0.10 -0.52 0.44 0.37 0.00 0.00 175.52 176.45 2juw h ASP 31 N 0.55 -1.50 0.42 4.18 5.19 -2.00 -1.75 116.42 121.51 2juw h ASP 31 Ca 0.43 0.14 -0.14 0.00 -0.62 0.00 0.00 57.03 56.84 2juw h ASP 31 Cb 0.60 0.53 -0.01 0.00 0.18 0.00 0.00 39.33 40.62 2juw h ASP 31 CO -0.36 -0.61 -0.59 0.25 -3.12 0.00 0.00 179.24 174.81 2juw h LEU 32 N -0.87 0.19 -0.23 1.55 5.85 -1.69 -2.58 115.31 117.54 2juw h LEU 32 Ca -0.03 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.58 2juw h LEU 32 Cb 0.81 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.78 2juw h LEU 32 CO -0.19 0.73 0.11 -1.28 -0.34 0.00 0.00 178.44 177.48 2juw h SER 33 N 0.13 0.29 -0.38 1.25 0.87 0.01 0.16 113.55 115.88 2juw h SER 33 Ca -0.00 -0.11 -0.07 0.00 -1.23 0.00 0.00 61.79 60.37 2juw h SER 33 Cb 1.07 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.93 2juw h SER 33 CO 0.09 0.32 -0.01 -0.07 -0.53 0.00 0.00 176.83 176.63 2juw h LEU 34 N 0.24 0.74 -0.45 2.23 3.38 -1.22 -1.80 115.31 118.42 2juw h LEU 34 Ca 0.08 -0.18 -0.08 0.00 0.09 0.00 0.00 57.88 57.79 2juw h LEU 34 Cb 0.11 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 2juw h LEU 34 CO -0.01 0.81 -0.04 -0.03 0.09 0.00 0.00 178.44 179.26 2juw h MET 35 N 0.72 0.83 -0.43 1.13 4.05 -1.09 0.13 114.93 120.27 2juw h MET 35 Ca 0.14 -0.29 0.00 0.00 -0.28 0.00 0.00 59.70 59.28 2juw h MET 35 Cb 0.45 -0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 31.17 2juw h MET 35 CO 0.02 0.91 0.28 0.00 0.23 0.00 0.00 176.91 178.35 2juw h ALA 36 N 0.90 0.54 0.09 0.39 0.00 -0.41 -1.31 119.26 119.46 2juw h ALA 36 Ca 0.12 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 2juw h ALA 36 Cb 0.56 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2juw h ALA 36 CO 0.03 0.01 -0.04 -0.07 0.00 0.00 0.00 179.25 179.18 2juw h LEU 37 N 0.58 -0.10 -0.45 0.00 -0.00 -1.21 -2.62 115.31 111.50 2juw h LEU 37 Ca 0.16 -0.08 0.06 0.00 -0.00 0.00 0.00 57.88 58.02 2juw h LEU 37 Cb -0.05 0.03 -0.05 0.00 -0.00 0.00 0.00 40.66 40.58 2juw h LEU 37 CO -0.03 0.02 0.14 1.23 -0.00 0.00 0.00 178.44 179.80 2juw h GLY 38 N -0.21 0.58 0.99 0.83 0.00 -0.77 -0.88 103.07 103.60 2juw h GLY 38 Ca -0.01 -0.07 0.01 0.00 0.00 0.00 0.00 47.33 47.26 2juw h GLY 38 CO 0.02 -0.00 0.57 3.43 0.00 0.00 0.00 176.54 180.56 2juw h ASN 39 N 0.30 0.99 -0.41 0.19 2.35 -1.22 -2.09 115.58 115.69 2juw h ASN 39 Ca 0.22 -0.02 -0.08 0.00 -0.55 0.00 0.00 56.30 55.87 2juw h ASN 39 Cb 0.23 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.34 2juw h ASN 39 CO -0.24 0.71 -0.01 0.00 -1.65 0.00 0.00 177.43 176.24 2juw h VAL 41 N 0.75 1.05 -0.09 0.00 2.07 -0.53 -0.29 116.25 119.20 2juw h VAL 41 Ca 0.14 -0.09 -0.17 0.00 0.82 0.00 0.00 66.70 67.40 2juw h VAL 41 Cb 0.47 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 2juw h VAL 41 CO 0.02 0.05 -0.66 0.71 0.02 0.00 0.00 177.57 177.71 2juw h THR 42 N 0.27 1.37 -0.05 2.57 1.35 -1.26 -2.67 112.91 114.49 2juw h THR 42 Ca 0.08 -2.04 -0.07 0.00 -0.55 0.00 0.00 66.41 63.82 2juw h THR 42 Cb -0.03 2.02 -0.01 0.00 -1.73 0.00 0.00 68.15 68.40 2juw h THR 42 CO -0.02 0.61 -0.31 -0.74 -0.25 0.00 0.00 175.52 174.82 2juw h HIS 43 N 0.27 0.10 -0.31 4.73 2.76 -0.53 -0.54 115.15 121.63 2juw h HIS 43 Ca -0.02 -0.02 -0.17 0.00 -2.20 0.00 0.00 60.37 57.97 2juw h HIS 43 Cb 1.21 -0.03 -0.00 0.00 1.55 0.00 0.00 27.41 30.14 2juw h HIS 43 CO 0.04 0.39 -0.47 -0.07 -1.30 0.00 0.00 177.93 176.52 2juw h LEU 44 N 0.08 0.91 -0.12 0.26 3.38 -0.94 -2.97 115.31 115.91 2juw h LEU 44 Ca 0.01 -0.45 0.00 0.00 0.09 0.00 0.00 57.88 57.53 2juw h LEU 44 Cb 0.59 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 2juw h LEU 44 CO 0.04 1.23 0.08 -0.07 0.09 0.00 0.00 178.44 179.81 2juw h LEU 45 N 0.66 0.13 -0.38 1.67 3.38 -0.96 0.21 115.31 120.03 2juw h LEU 45 Ca 0.03 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2juw h LEU 45 Cb 1.06 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.78 2juw h LEU 45 CO 0.11 0.09 0.00 -0.62 0.09 0.00 0.00 178.44 178.11 2juw n GLU 46 N -5.01 0.08 -0.02 1.13 1.02 -0.30 -2.27 120.64 115.28 2juw n GLU 46 Ca -0.05 0.37 -0.03 0.00 -0.02 0.00 0.00 57.16 57.44 2juw n GLU 46 Cb 0.03 -1.68 -0.01 0.00 -0.02 0.00 0.00 31.44 29.77 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 -1.84 0.15 0.00 3.49 5.12 -0.86 -4.78 116.66 117.94 2juw n ARG 47 Ca 0.02 0.06 0.13 0.00 -1.93 0.00 0.00 57.85 56.13 2juw n ARG 47 Cb 0.16 -0.66 0.37 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 -3.20 0.08 -4.69 5.56 5.02 0.68 -4.82 118.16 116.78 2juw n LYS 48 Ca -0.04 -0.04 -0.33 0.00 -2.02 0.00 0.00 58.31 55.88 2juw n LYS 48 Cb 0.15 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 33.53 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 -2.94 3.33 0.62 -0.18 1.01 -0.96 -5.03 120.40 116.24 2juw s VAL 49 Ca 0.13 -0.58 -0.18 0.00 0.00 0.00 0.00 61.98 61.36 2juw s VAL 49 Cb 0.18 -2.39 -0.04 0.00 0.00 0.00 0.00 36.38 34.13 2juw s VAL 49 CO 0.63 0.54 0.97 -2.65 0.00 0.00 0.00 175.10 174.59 2juw n PRO 50 N 3.11 0.85 0.04 2.72 -0.02 -1.26 -4.59 135.00 135.85 2juw n PRO 50 Ca -0.18 0.33 -0.13 0.00 -2.02 0.00 0.00 63.50 61.51 2juw n PRO 50 Cb 0.53 -2.19 -0.06 0.00 -0.02 0.00 0.00 33.50 31.76 2juw n PRO 50 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 2juw h SER 51 N 0.38 -1.24 -0.34 2.55 0.02 -1.96 0.01 113.55 112.96 2juw h SER 51 Ca -0.49 0.16 -0.02 0.00 -0.84 0.00 0.00 61.79 60.60 2juw h SER 51 Cb 1.36 0.49 -0.02 0.00 0.14 0.00 0.00 62.40 64.38 2juw h SER 51 CO 0.50 -0.44 0.14 -0.33 -1.14 0.00 0.00 176.83 175.57 2juw h GLU 52 N -0.54 0.56 0.00 3.45 3.07 -2.00 -1.89 114.58 117.23 2juw h GLU 52 Ca 0.06 -0.08 -0.09 0.00 -0.50 0.00 0.00 59.36 58.75 2juw h GLU 52 Cb 0.63 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.43 2juw h GLU 52 CO -0.34 0.48 -0.42 0.77 -1.40 0.00 0.00 179.01 178.11 2juw h SER 53 N 0.56 0.00 -0.53 1.42 0.02 -1.62 -2.90 113.55 110.50 2juw h SER 53 Ca 0.14 0.00 0.08 0.00 -0.84 0.00 0.00 61.79 61.17 2juw h SER 53 Cb 0.14 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.65 2juw h SER 53 CO -0.01 0.42 0.36 0.03 -1.14 0.00 0.00 176.83 176.49 2juw h ARG 54 N 0.00 0.36 0.14 3.45 3.08 -0.18 0.46 114.38 121.69 2juw h ARG 54 Ca -0.00 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 2juw h ARG 54 Cb 0.89 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.86 2juw h ARG 54 CO 0.05 0.24 -0.07 1.96 -1.07 0.00 0.00 179.97 181.09 2juw h GLN 55 N 0.37 -0.18 -0.12 0.04 4.20 -1.60 -2.95 115.11 114.88 2juw h GLN 55 Ca 0.24 0.01 -0.21 0.00 0.06 0.00 0.00 58.65 58.76 2juw h GLN 55 Cb 0.47 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.29 2juw h GLN 55 CO -0.06 0.27 -0.77 0.00 -0.67 0.00 0.00 178.83 177.60 2juw h ALA 56 N -0.04 0.42 -0.63 3.87 0.00 -1.46 -2.48 119.26 118.94 2juw h ALA 56 Ca -0.02 -0.61 -0.05 0.00 0.00 0.00 0.00 54.91 54.23 2juw h ALA 56 Cb 0.53 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 2juw h ALA 56 CO 0.03 0.72 0.18 0.28 0.00 0.00 0.00 179.25 180.46 2juw h VAL 57 N 0.43 1.25 -0.67 0.00 2.07 -0.24 0.34 116.25 119.43 2juw h VAL 57 Ca -0.05 -0.87 -0.02 0.00 0.82 0.00 0.00 66.70 66.58 2juw h VAL 57 Cb 1.38 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 31.74 2juw h VAL 57 CO 0.15 0.33 0.32 0.00 0.02 0.00 0.00 177.57 178.39 2juw h ALA 58 N 1.06 1.31 0.21 1.67 0.00 -1.49 0.22 119.26 122.24 2juw h ALA 58 Ca 0.20 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2juw h ALA 58 Cb 0.31 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2juw h ALA 58 CO -0.00 0.54 -0.10 1.49 0.00 0.00 0.00 179.25 181.17 2juw h GLU 59 N 0.95 -0.27 0.00 0.00 4.81 -0.89 -1.43 114.58 117.75 2juw h GLU 59 Ca 0.23 0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.39 2juw h GLU 59 Cb 0.09 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 2juw h GLU 59 CO -0.03 -0.11 -0.43 1.96 -0.73 0.00 0.00 179.01 179.67 2juw h GLN 60 N -0.36 0.00 -0.25 1.92 1.08 -0.63 -1.68 115.11 115.19 2juw h GLN 60 Ca -0.03 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.15 2juw h GLN 60 Cb 0.28 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.70 2juw h GLN 60 CO 0.05 0.43 0.06 0.35 -0.95 0.00 0.00 178.83 178.77 2juw h PHE 61 N 0.00 0.42 -0.74 2.96 3.57 -0.43 0.15 116.94 122.87 2juw h PHE 61 Ca -0.00 -0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.43 2juw h PHE 61 Cb 0.77 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 39.35 2juw h PHE 61 CO 0.00 0.48 0.39 0.00 -2.23 0.00 0.00 178.31 176.95 2juw h ALA 62 N 0.89 0.95 -0.60 2.41 0.00 -0.88 0.23 119.26 122.26 2juw h ALA 62 Ca 0.08 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 2juw h ALA 62 Cb 0.27 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 2juw h ALA 62 CO 0.00 0.48 0.20 0.87 0.00 0.00 0.00 179.25 180.80 2juw h LYS 63 N 1.03 0.92 -0.50 0.00 1.57 -1.13 -1.72 116.57 116.73 2juw h LYS 63 Ca 0.26 -0.19 -0.12 0.00 -1.87 0.00 0.00 60.65 58.73 2juw h LYS 63 Cb 0.06 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 2juw h LYS 63 CO -0.04 0.81 -0.16 0.00 -0.57 0.00 0.00 179.45 179.49 2juw h ALA 64 N 1.06 0.78 0.05 3.86 0.00 -0.25 -0.09 119.26 124.66 2juw h ALA 64 Ca 0.19 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2juw h ALA 64 Cb 0.27 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2juw h ALA 64 CO -0.01 0.66 -0.05 1.25 0.00 0.00 0.00 179.25 181.10 2juw h LEU 65 N 0.85 -0.14 -1.11 0.00 5.85 -0.33 0.16 115.31 120.59 2juw h LEU 65 Ca 0.12 0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.79 2juw h LEU 65 Cb 0.72 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.78 2juw h LEU 65 CO 0.06 -0.08 -0.14 0.00 -0.34 0.00 0.00 178.44 177.93 2juw h ALA 66 N 0.84 1.26 -0.55 1.25 0.00 -1.25 -2.46 119.26 118.35 2juw h ALA 66 Ca 0.01 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.56 2juw h ALA 66 Cb 0.11 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2juw h ALA 66 CO -0.02 0.49 0.00 0.37 0.00 0.00 0.00 179.25 180.09 2juw h GLN 67 N 0.42 0.93 -0.59 0.00 4.15 -0.47 -1.79 115.11 117.77 2juw h GLN 67 Ca 0.08 -0.27 -0.05 0.00 0.77 0.00 0.00 58.65 59.17 2juw h GLN 67 Cb 0.50 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 28.07 2juw h GLN 67 CO 0.03 0.92 0.16 1.03 -1.93 0.00 0.00 178.83 179.04 2juw h SER 68 N 0.86 0.85 -0.69 -0.69 0.87 -0.26 -1.42 113.55 113.07 2juw h SER 68 Ca 0.16 -0.15 -0.05 0.00 -1.23 0.00 0.00 61.79 60.52 2juw h SER 68 Cb 0.50 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 62.21 2juw h SER 68 CO 0.02 0.82 0.25 0.58 -0.53 0.00 0.00 176.83 177.97 2juw h VAL 69 N 0.88 1.25 0.00 2.23 2.07 -1.04 -1.32 116.25 120.32 2juw h VAL 69 Ca 0.19 -0.83 0.00 0.00 0.82 0.00 0.00 66.70 66.89 2juw h VAL 69 Cb 0.29 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 2juw h VAL 69 CO -0.00 0.33 0.00 0.29 0.02 0.00 0.00 177.57 178.20 2juw n LYS 70 N -4.27 0.65 -0.01 1.57 5.02 -0.71 -2.25 118.16 118.15 2juw n LYS 70 Ca 0.06 0.02 0.13 0.00 -2.02 0.00 0.00 58.31 56.50 2juw n LYS 70 Cb 0.20 -1.50 0.38 0.00 -0.02 0.00 0.00 35.03 34.09 2juw n LYS 70 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2juw n SER 71 N -1.12 2.02 0.05 4.39 7.64 -0.50 -2.71 113.62 123.39 2juw n SER 71 Ca 0.17 -1.68 -0.21 0.00 1.01 0.00 0.00 58.87 58.16 2juw n SER 71 Cb 0.14 -0.02 -0.15 0.00 -1.01 0.00 0.00 64.21 63.18 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 3.11 0.49 -0.58 6.43 -0.73 -1.47 -3.34 115.58 119.49 2juw h ASN 72 Ca 0.00 -0.94 0.00 0.00 1.87 0.00 0.00 56.30 57.23 2juw h ASN 72 Cb 0.66 -0.16 0.00 0.00 0.27 0.00 0.00 38.32 39.09 2juw h ASN 72 CO 0.00 1.44 0.00 0.18 -0.37 0.00 0.00 177.43 178.68 2juw n LEU 73 N -4.08 3.72 -0.24 0.34 4.32 -1.25 -4.77 117.00 115.04 2juw n LEU 73 Ca -0.15 -1.79 -0.02 0.00 -0.02 0.00 0.00 56.01 54.03 2juw n LEU 73 Cb 0.85 -0.38 0.00 0.00 -1.62 0.00 0.00 43.42 42.27 2juw n LEU 73 CO 0.49 0.88 0.34 -1.84 -1.22 0.00 0.00 177.39 176.03 2juw n GLU 74 N 1.55 -0.17 -3.54 3.23 -0.00 -1.10 -2.10 120.64 118.50 2juw n GLU 74 Ca 0.22 0.92 -0.41 0.00 -0.00 0.00 0.00 57.16 57.89 2juw n GLU 74 Cb 0.61 -1.37 -0.08 0.00 -0.00 0.00 0.00 31.44 30.60 2juw n GLU 74 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.13 175.55 2juw s HIS 75 N -5.50 3.38 -0.29 -1.84 5.04 -1.26 -5.05 115.29 109.77 2juw s HIS 75 Ca -0.08 -1.71 -0.03 0.00 -1.54 0.00 0.00 55.06 51.69 2juw s HIS 75 Cb 0.11 -3.39 0.03 0.00 0.04 0.00 0.00 32.58 29.37 2juw s HIS 75 CO 0.42 -0.96 0.02 -1.58 -2.34 0.00 0.00 174.74 170.30 2juw s HIS 76 N 1.41 3.19 -0.19 3.88 2.46 -0.89 -5.08 115.29 120.06 2juw s HIS 76 Ca 0.05 -1.55 -0.14 0.00 0.47 0.00 0.00 55.06 53.89 2juw s HIS 76 Cb -0.26 -2.15 -0.04 0.00 -0.13 0.00 0.00 32.58 30.00 2juw s HIS 76 CO 0.00 -0.73 0.30 -3.38 -2.47 0.00 0.00 174.74 168.47 2juw s HIS 77 N 1.34 3.40 -0.27 3.88 -3.43 -1.26 -5.01 115.29 113.95 2juw s HIS 77 Ca -0.02 0.53 -0.36 0.00 -0.80 0.00 0.00 55.06 54.41 2juw s HIS 77 Cb -0.18 -2.39 -0.12 0.00 -1.43 0.00 0.00 32.58 28.45 2juw s HIS 77 CO -0.01 0.13 2.01 -2.39 -2.00 0.00 0.00 174.74 172.48 2juw n HIS 78 N 4.00 1.89 -4.52 0.38 1.44 -1.26 -4.95 115.22 112.21 2juw n HIS 78 Ca -0.11 0.27 -0.33 0.00 -2.01 0.00 0.00 57.72 55.53 2juw n HIS 78 Cb 0.52 -2.55 -0.13 0.00 0.12 0.00 0.00 29.99 27.95 2juw n HIS 78 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2juw s HIS 79 N 5.65 2.96 -2.80 -1.40 5.04 -1.26 -5.36 115.29 118.12 2juw s HIS 79 Ca 1.03 -0.41 0.26 0.00 -1.54 0.00 0.00 55.06 54.40 2juw s HIS 79 Cb -0.86 -1.92 0.53 0.00 0.04 0.00 0.00 32.58 30.36 2juw s HIS 79 CO 0.54 -0.09 1.45 1.58 -2.34 0.00 0.00 174.74 175.88