#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1opd s PHE 2 N 0.00 0.42 0.07 1.12 5.36 -0.47 -4.98 117.98 119.49 1opd s PHE 2 Ca 0.00 -0.18 -0.12 0.00 -0.96 0.00 0.00 56.93 55.67 1opd s PHE 2 Cb 0.00 -0.27 0.01 0.00 -0.34 0.00 0.00 43.02 42.43 1opd s PHE 2 CO 0.00 -0.03 0.27 -1.83 -1.46 0.00 0.00 175.22 172.17 1opd s GLU 3 N -0.48 0.84 -0.07 10.12 -1.05 -1.26 -0.85 118.70 125.95 1opd s GLU 3 Ca -0.02 -0.68 -0.21 0.00 -0.15 0.00 0.00 54.97 53.91 1opd s GLU 3 Cb -0.04 0.35 0.05 0.00 -0.44 0.00 0.00 34.13 34.05 1opd s GLU 3 CO -0.00 -0.27 0.49 -1.14 0.95 0.00 0.00 175.26 175.28 1opd s GLN 4 N -3.09 0.79 0.14 -4.83 0.74 -0.47 -5.01 119.66 107.93 1opd s GLN 4 Ca -0.01 0.17 -0.04 0.00 0.05 0.00 0.00 55.36 55.53 1opd s GLN 4 Cb 0.01 0.37 -0.05 0.00 1.10 0.00 0.00 33.01 34.44 1opd s GLN 4 CO -0.07 -0.21 0.35 -1.21 -0.55 0.00 0.00 175.29 173.60 1opd s GLU 5 N -0.93 3.58 -0.03 1.67 2.02 -1.26 -0.87 118.70 122.88 1opd s GLU 5 Ca -0.10 -0.17 -0.17 0.00 0.02 0.00 0.00 54.97 54.56 1opd s GLU 5 Cb -0.03 -2.88 0.03 0.00 0.10 0.00 0.00 34.13 31.35 1opd s GLU 5 CO 0.06 0.48 0.36 0.54 0.02 0.00 0.00 175.26 176.72 1opd s VAL 6 N -1.66 0.05 -0.21 2.63 0.11 -0.38 -4.98 120.40 115.97 1opd s VAL 6 Ca 0.40 -0.38 -0.10 0.00 -2.93 0.00 0.00 61.98 58.97 1opd s VAL 6 Cb -0.12 -0.66 -0.05 0.00 -1.53 0.00 0.00 36.38 34.02 1opd s VAL 6 CO 0.26 -0.21 0.12 -0.89 -3.33 0.00 0.00 175.10 171.05 1opd s THR 7 N -1.22 5.25 -0.28 5.04 2.01 -1.26 -1.24 115.64 123.95 1opd s THR 7 Ca -0.12 0.14 -0.29 0.00 0.31 0.00 0.00 61.69 61.72 1opd s THR 7 Cb -0.04 -3.41 -0.00 0.00 0.01 0.00 0.00 72.50 69.06 1opd s THR 7 CO 0.05 0.42 1.31 -0.63 -0.69 0.00 0.00 174.62 175.08 1opd s ILE 8 N 0.58 4.13 -1.36 1.82 1.01 -0.58 -4.72 121.20 122.08 1opd s ILE 8 Ca 0.07 1.29 0.13 0.00 0.00 0.00 0.00 60.65 62.14 1opd s ILE 8 Cb -0.12 -4.11 0.04 0.00 0.01 0.00 0.00 42.46 38.28 1opd s ILE 8 CO 0.00 -0.42 0.81 0.35 0.00 0.00 0.00 174.94 175.68 1opd n THR 9 N 6.12 0.00 -2.21 2.92 -2.24 -1.26 -0.56 114.28 117.05 1opd n THR 9 Ca 0.15 -0.43 -0.40 0.00 -2.27 0.00 0.00 64.05 61.10 1opd n THR 9 Cb 0.46 1.20 -0.03 0.00 -2.10 0.00 0.00 70.33 69.87 1opd n THR 9 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1opd s ALA 10 N -1.36 3.46 0.26 6.98 0.00 -1.26 -4.88 121.76 124.95 1opd s ALA 10 Ca 0.13 1.16 -0.31 0.00 0.00 0.00 0.00 51.96 52.94 1opd s ALA 10 Cb 0.10 -3.44 -0.13 0.00 0.00 0.00 0.00 23.12 19.65 1opd s ALA 10 CO 0.25 -0.52 1.35 -2.30 0.00 0.00 0.00 175.76 174.54 1opd n PRO 11 N 0.86 1.96 -1.18 0.00 -0.02 -1.26 -1.20 135.00 134.17 1opd n PRO 11 Ca -0.00 0.70 -0.06 0.00 -2.02 0.00 0.00 63.50 62.11 1opd n PRO 11 Cb 0.43 -2.31 -0.03 0.00 -0.02 0.00 0.00 33.50 31.57 1opd n PRO 11 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1opd n ASN 12 N 1.85 -4.88 0.00 2.55 4.13 -1.26 -4.86 115.26 112.79 1opd n ASN 12 Ca 0.10 0.15 0.00 0.00 1.68 0.00 0.00 54.58 56.52 1opd n ASN 12 Cb 0.32 -2.92 0.00 0.00 -1.54 0.00 0.00 39.78 35.64 1opd n ASN 12 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1opd n GLY 13 N -0.72 1.77 3.54 7.41 0.00 -0.34 -3.60 105.19 113.25 1opd n GLY 13 Ca -0.06 -0.46 -0.43 0.00 0.00 0.00 0.00 46.02 45.07 1opd n GLY 13 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1opd s LEU 14 N 0.00 4.21 1.18 0.99 1.43 -0.60 -4.82 118.68 121.06 1opd s LEU 14 Ca 0.00 -2.61 -0.19 0.00 -1.03 0.00 0.00 54.13 50.29 1opd s LEU 14 Cb 0.00 -2.53 0.28 0.00 0.03 0.00 0.00 46.19 43.97 1opd s LEU 14 CO 0.00 -1.04 1.16 -1.38 0.23 0.00 0.00 176.35 175.32 1opd s HIS 15 N 3.43 0.53 0.12 0.29 -3.43 -1.24 -4.61 115.29 110.37 1opd s HIS 15 Ca 0.51 0.41 -0.21 0.00 -0.80 0.00 0.00 55.06 54.96 1opd s HIS 15 Cb 0.02 -3.62 -0.06 0.00 -1.43 0.00 0.00 32.58 27.49 1opd s HIS 15 CO 0.06 -3.74 1.71 1.15 -2.00 0.00 0.00 174.74 171.91 1opd h THR 16 N -2.47 0.81 -0.02 -5.38 2.02 -1.93 -0.85 112.91 105.08 1opd h THR 16 Ca -0.44 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 66.74 1opd h THR 16 Cb 1.28 0.81 -0.00 0.00 -1.74 0.00 0.00 68.15 68.49 1opd h THR 16 CO 0.32 0.00 0.01 -0.09 0.37 0.00 0.00 175.52 176.13 1opd h ARG 17 N -0.06 0.04 -0.15 6.66 2.43 -2.00 -0.24 114.38 121.07 1opd h ARG 17 Ca 0.06 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.17 1opd h ARG 17 Cb 0.15 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 1opd h ARG 17 CO -0.15 0.25 -0.15 -1.00 -1.51 0.00 0.00 179.97 177.41 1opd h PRO 18 N -0.18 0.24 -0.48 0.20 0.13 -1.92 -2.36 132.00 127.62 1opd h PRO 18 Ca 0.01 -0.06 -0.01 0.00 -0.87 0.00 0.00 66.00 65.07 1opd h PRO 18 Cb 0.23 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 31.31 1opd h PRO 18 CO 0.00 0.40 0.25 0.00 -0.23 0.00 0.00 178.00 178.42 1opd h ALA 19 N 1.62 0.62 -0.34 -0.56 0.00 -0.82 -0.56 119.26 119.22 1opd h ALA 19 Ca 0.04 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 1opd h ALA 19 Cb 0.41 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1opd h ALA 19 CO 0.03 0.16 -0.04 0.00 0.00 0.00 0.00 179.25 179.39 1opd h ALA 20 N 1.09 1.28 -0.16 0.00 0.00 -0.72 -1.50 119.26 119.27 1opd h ALA 20 Ca 0.17 -0.24 -0.14 0.00 0.00 0.00 0.00 54.91 54.70 1opd h ALA 20 Cb 0.08 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1opd h ALA 20 CO -0.02 0.48 -0.49 1.96 0.00 0.00 0.00 179.25 181.17 1opd h GLN 21 N 0.53 0.42 -0.19 0.00 4.20 -1.04 -1.55 115.11 117.47 1opd h GLN 21 Ca 0.11 -0.24 -0.03 0.00 0.06 0.00 0.00 58.65 58.55 1opd h GLN 21 Cb 0.41 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.20 1opd h GLN 21 CO 0.02 0.82 0.00 0.35 -0.67 0.00 0.00 178.83 179.35 1opd h PHE 22 N 0.33 0.35 -0.72 2.96 3.57 -0.78 -2.01 116.94 120.65 1opd h PHE 22 Ca 0.02 -0.06 -0.05 0.00 3.53 0.00 0.00 57.97 61.40 1opd h PHE 22 Cb 0.99 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.60 1opd h PHE 22 CO 0.03 0.52 0.25 0.28 -2.23 0.00 0.00 178.31 177.16 1opd h VAL 23 N 0.09 1.26 -0.55 1.41 2.07 -1.19 -1.02 116.25 118.32 1opd h VAL 23 Ca 0.05 -0.85 -0.01 0.00 0.82 0.00 0.00 66.70 66.71 1opd h VAL 23 Cb 0.38 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 1opd h VAL 23 CO 0.01 0.34 0.29 0.50 0.02 0.00 0.00 177.57 178.73 1opd h LYS 24 N 1.05 0.77 -0.57 1.57 3.64 -1.17 -0.37 116.57 121.49 1opd h LYS 24 Ca 0.23 -0.10 -0.05 0.00 -1.27 0.00 0.00 60.65 59.47 1opd h LYS 24 Cb 0.27 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.92 1opd h LYS 24 CO -0.01 0.60 0.15 1.49 -2.27 0.00 0.00 179.45 179.41 1opd h GLU 25 N 0.74 0.90 -0.69 1.90 4.57 -1.19 -2.90 114.58 117.90 1opd h GLU 25 Ca 0.19 -0.21 -0.02 0.00 -1.18 0.00 0.00 59.36 58.14 1opd h GLU 25 Cb 0.06 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 28.50 1opd h GLU 25 CO -0.03 0.83 0.34 0.00 -1.18 0.00 0.00 179.01 178.97 1opd h ALA 26 N 1.03 0.89 -0.01 2.92 0.00 -0.71 -2.18 119.26 121.20 1opd h ALA 26 Ca 0.18 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1opd h ALA 26 Cb 0.32 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1opd h ALA 26 CO -0.00 0.45 0.06 0.87 0.00 0.00 0.00 179.25 180.63 1opd h LYS 27 N 0.96 0.00 0.00 0.00 1.57 -0.88 -1.90 116.57 116.32 1opd h LYS 27 Ca 0.24 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 1opd h LYS 27 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.41 1opd h LYS 27 CO -0.03 0.00 0.00 0.78 -0.57 0.00 0.00 179.45 179.63 1opd h GLY 28 N 0.00 0.00 -5.17 3.86 0.00 -1.29 -3.44 103.07 97.03 1opd h GLY 28 Ca 0.01 0.00 -0.64 0.00 0.00 0.00 0.00 47.33 46.70 1opd h GLY 28 CO -0.00 0.00 -0.49 -1.36 0.00 0.00 0.00 176.54 174.69 1opd s PHE 29 N -3.41 3.55 0.16 5.60 0.08 -0.72 -5.02 117.98 118.22 1opd s PHE 29 Ca 0.04 0.35 -0.07 0.00 0.12 0.00 0.00 56.93 57.37 1opd s PHE 29 Cb 0.09 -1.83 0.02 0.00 -0.57 0.00 0.00 43.02 40.73 1opd s PHE 29 CO 0.46 0.64 1.45 1.15 -0.10 0.00 0.00 175.22 178.82 1opd h THR 30 N 2.76 1.31 -3.85 0.64 2.02 -1.86 -3.47 112.91 110.47 1opd h THR 30 Ca -0.49 -1.83 -0.56 0.00 0.77 0.00 0.00 66.41 64.30 1opd h THR 30 Cb 1.19 1.78 0.16 0.00 -1.74 0.00 0.00 68.15 69.54 1opd h THR 30 CO 0.69 0.58 0.29 -1.20 0.37 0.00 0.00 175.52 176.26 1opd n SER 31 N -3.96 1.30 -4.73 4.18 7.64 -1.26 -4.91 113.62 111.88 1opd n SER 31 Ca -0.04 0.79 -0.41 0.00 1.01 0.00 0.00 58.87 60.22 1opd n SER 31 Cb 0.64 -1.47 -0.03 0.00 -1.01 0.00 0.00 64.21 62.34 1opd n SER 31 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1opd s GLU 32 N -3.12 4.45 -0.05 1.43 -6.30 -0.56 -4.87 118.70 109.68 1opd s GLU 32 Ca 0.79 1.88 0.02 0.00 -2.50 0.00 0.00 54.97 55.16 1opd s GLU 32 Cb -0.39 -3.27 0.01 0.00 0.00 0.00 0.00 34.13 30.48 1opd s GLU 32 CO 0.44 -0.18 -0.10 0.42 0.02 0.00 0.00 175.26 175.86 1opd s ILE 33 N 0.38 0.92 -0.04 -3.70 1.01 -1.26 -1.25 121.20 117.26 1opd s ILE 33 Ca 0.56 -0.39 0.07 0.00 0.00 0.00 0.00 60.65 60.89 1opd s ILE 33 Cb -0.32 -0.85 -0.01 0.00 0.01 0.00 0.00 42.46 41.28 1opd s ILE 33 CO 0.34 0.30 -0.25 -0.89 0.00 0.00 0.00 174.94 174.44 1opd s THR 34 N 0.52 2.00 -0.18 2.92 2.01 0.34 -1.39 115.64 121.86 1opd s THR 34 Ca -0.10 -1.05 -0.04 0.00 0.31 0.00 0.00 61.69 60.81 1opd s THR 34 Cb -0.13 -1.68 -0.03 0.00 0.01 0.00 0.00 72.50 70.67 1opd s THR 34 CO 0.02 0.56 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.80 1opd s VAL 35 N -0.31 3.95 -0.03 3.82 1.01 -0.03 -1.17 120.40 127.64 1opd s VAL 35 Ca 0.01 -0.33 0.06 0.00 0.00 0.00 0.00 61.98 61.73 1opd s VAL 35 Cb -0.12 -2.76 -0.01 0.00 0.00 0.00 0.00 36.38 33.49 1opd s VAL 35 CO 0.02 0.46 -0.22 -0.89 0.00 0.00 0.00 175.10 174.47 1opd s THR 36 N 0.66 1.75 -0.04 3.92 2.01 -0.18 -1.42 115.64 122.34 1opd s THR 36 Ca -0.01 -0.92 -0.02 0.00 0.31 0.00 0.00 61.69 61.05 1opd s THR 36 Cb -0.14 -1.47 0.03 0.00 0.01 0.00 0.00 72.50 70.93 1opd s THR 36 CO 0.02 0.49 0.07 -0.55 -0.69 0.00 0.00 174.62 173.97 1opd s SER 37 N -0.32 0.85 -1.45 3.53 0.15 -0.19 -0.99 113.70 115.27 1opd s SER 37 Ca 0.03 0.11 -0.02 0.00 0.70 0.00 0.00 55.95 56.77 1opd s SER 37 Cb -0.10 -0.07 0.02 0.00 -1.71 0.00 0.00 66.02 64.16 1opd s SER 37 CO 0.01 -0.22 0.41 -3.20 1.20 0.00 0.00 173.24 171.44 1opd n ASN 38 N 5.06 -0.50 0.00 5.45 5.15 -1.26 -1.56 115.26 127.60 1opd n ASN 38 Ca -0.09 -1.03 0.00 0.00 -0.60 0.00 0.00 54.58 52.86 1opd n ASN 38 Cb 0.50 -2.88 0.00 0.00 -0.53 0.00 0.00 39.78 36.87 1opd n ASN 38 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1opd n GLY 39 N -1.99 0.44 3.26 8.20 0.00 -1.26 -5.01 105.19 108.83 1opd n GLY 39 Ca -0.27 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.43 1opd n GLY 39 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1opd s LYS 40 N -0.46 3.13 0.23 1.61 2.20 -0.60 -5.12 119.74 120.73 1opd s LYS 40 Ca 0.00 -0.83 0.10 0.00 -0.36 0.00 0.00 55.97 54.88 1opd s LYS 40 Cb 0.00 -2.38 -0.04 0.00 -1.51 0.00 0.00 37.83 33.90 1opd s LYS 40 CO 0.00 0.19 -0.09 -1.12 -0.36 0.00 0.00 175.35 173.97 1opd s SER 41 N 0.34 4.17 -0.05 1.43 0.01 -1.26 -1.02 113.70 117.31 1opd s SER 41 Ca -0.17 -0.71 -0.18 0.00 1.31 0.00 0.00 55.95 56.20 1opd s SER 41 Cb -0.17 -0.65 0.04 0.00 0.21 0.00 0.00 66.02 65.44 1opd s SER 41 CO 0.08 0.06 0.40 0.00 0.41 0.00 0.00 173.24 174.19 1opd s ALA 42 N -2.07 -1.03 0.21 1.44 0.00 -0.51 -5.00 121.76 114.80 1opd s ALA 42 Ca 0.28 0.69 -0.30 0.00 0.00 0.00 0.00 51.96 52.62 1opd s ALA 42 Cb -0.07 -0.09 -0.10 0.00 0.00 0.00 0.00 23.12 22.86 1opd s ALA 42 CO 0.16 -0.27 1.46 0.45 0.00 0.00 0.00 175.76 177.56 1opd s SER 43 N -0.99 6.67 0.15 0.00 0.15 -1.26 -0.85 113.70 117.56 1opd s SER 43 Ca -0.10 2.61 0.22 0.00 0.70 0.00 0.00 55.95 59.37 1opd s SER 43 Cb -0.04 -2.61 0.87 0.00 -1.71 0.00 0.00 66.02 62.53 1opd s SER 43 CO 0.05 -0.71 1.67 0.00 1.20 0.00 0.00 173.24 175.44 1opd n ALA 44 N 2.89 1.81 1.33 5.45 0.00 -0.48 -3.09 120.51 128.42 1opd n ALA 44 Ca 0.09 0.01 0.13 0.00 0.00 0.00 0.00 53.44 53.67 1opd n ALA 44 Cb 0.40 -1.36 0.40 0.00 0.00 0.00 0.00 19.45 18.89 1opd n ALA 44 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1opd n LYS 45 N -1.95 1.86 -3.91 0.00 5.02 -1.26 -4.37 118.16 113.54 1opd n LYS 45 Ca 0.03 -1.25 -0.30 0.00 -2.02 0.00 0.00 58.31 54.77 1opd n LYS 45 Cb 0.25 -1.47 -0.15 0.00 -0.02 0.00 0.00 35.03 33.64 1opd n LYS 45 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1opd s ASP 46 N -1.96 4.26 0.30 4.39 -1.08 -1.18 -4.93 116.67 116.47 1opd s ASP 46 Ca 0.35 -1.68 -0.02 0.00 -0.52 0.00 0.00 52.55 50.68 1opd s ASP 46 Cb 0.21 -1.26 0.43 0.00 -1.46 0.00 0.00 42.92 40.83 1opd s ASP 46 CO 0.32 -0.34 1.96 0.25 0.52 0.00 0.00 175.17 177.88 1opd h LEU 47 N 7.86 0.96 -0.14 -1.34 5.85 -1.85 -0.68 115.31 125.97 1opd h LEU 47 Ca -0.11 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.58 1opd h LEU 47 Cb 1.03 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.82 1opd h LEU 47 CO 0.47 0.70 0.09 0.15 -0.34 0.00 0.00 178.44 179.51 1opd h PHE 48 N 1.13 0.18 -0.40 1.25 3.04 -1.95 -1.62 116.94 118.56 1opd h PHE 48 Ca 0.30 0.00 -0.14 0.00 3.98 0.00 0.00 57.97 62.12 1opd h PHE 48 Cb -0.12 -0.06 -0.01 0.00 2.56 0.00 0.00 35.95 38.32 1opd h PHE 48 CO 0.00 0.12 -0.28 -0.22 -2.02 0.00 0.00 178.31 175.91 1opd h LYS 49 N 0.19 0.90 -0.79 1.11 3.64 -1.81 -3.05 116.57 116.76 1opd h LYS 49 Ca 0.05 -0.43 0.07 0.00 -1.27 0.00 0.00 60.65 59.07 1opd h LYS 49 Cb -0.02 -0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 31.73 1opd h LYS 49 CO -0.01 1.08 0.47 1.25 -2.27 0.00 0.00 179.45 179.97 1opd h LEU 50 N 0.71 0.72 -1.06 5.20 6.46 -0.99 -1.87 115.31 124.48 1opd h LEU 50 Ca 0.08 0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.86 1opd h LEU 50 Cb 0.86 -0.12 0.00 0.00 -0.73 0.00 0.00 40.66 40.67 1opd h LEU 50 CO 0.08 0.46 0.00 1.56 -0.62 0.00 0.00 178.44 179.91 1opd h GLN 51 N 0.85 0.00 0.00 1.25 4.20 -1.19 -1.99 115.11 118.23 1opd h GLN 51 Ca 0.35 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.06 1opd h GLN 51 Cb 0.20 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.98 1opd h GLN 51 CO -0.19 0.00 0.00 1.79 -0.67 0.00 0.00 178.83 179.76 1opd h THR 52 N 0.00 0.00 0.00 -0.54 1.35 -1.28 -2.96 112.91 109.47 1opd h THR 52 Ca 0.00 -0.36 -0.03 0.00 -0.55 0.00 0.00 66.41 65.47 1opd h THR 52 Cb 0.35 1.21 -0.00 0.00 -1.73 0.00 0.00 68.15 67.97 1opd h THR 52 CO 0.00 0.00 -0.15 -0.07 -0.25 0.00 0.00 175.52 175.05 1opd h LEU 53 N 0.00 0.00 -2.31 3.87 4.07 -1.46 -3.48 115.31 116.00 1opd h LEU 53 Ca 0.00 0.00 -0.39 0.00 0.08 0.00 0.00 57.88 57.57 1opd h LEU 53 Cb 0.53 0.00 0.09 0.00 1.08 0.00 0.00 40.66 42.36 1opd h LEU 53 CO 0.00 0.15 -0.87 0.61 -1.08 0.00 0.00 178.44 177.25 1opd n GLY 54 N 0.23 -0.65 3.57 0.83 0.00 -1.12 -4.87 105.19 103.18 1opd n GLY 54 Ca 0.01 0.30 -0.29 0.00 0.00 0.00 0.00 46.02 46.04 1opd n GLY 54 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1opd s LEU 55 N -6.39 3.20 0.61 0.99 1.02 -1.26 -4.98 118.68 111.86 1opd s LEU 55 Ca 0.22 -1.19 -0.06 0.00 0.02 0.00 0.00 54.13 53.12 1opd s LEU 55 Cb -0.06 -2.57 0.02 0.00 0.02 0.00 0.00 46.19 43.60 1opd s LEU 55 CO 0.81 -2.66 0.92 0.42 0.02 0.00 0.00 176.35 175.86 1opd s THR 56 N 9.62 3.33 0.21 5.49 -4.23 -1.26 -1.55 115.64 127.24 1opd s THR 56 Ca 0.66 -0.09 -0.32 0.00 -1.18 0.00 0.00 61.69 60.77 1opd s THR 56 Cb -0.03 -3.34 -0.13 0.00 1.34 0.00 0.00 72.50 70.33 1opd s THR 56 CO 0.04 -0.35 1.50 1.67 -0.54 0.00 0.00 174.62 176.94 1opd n GLN 57 N -2.64 2.15 -0.23 3.99 7.27 -1.26 -1.80 117.38 124.87 1opd n GLN 57 Ca 0.05 0.77 0.00 0.00 0.07 0.00 0.00 57.00 57.89 1opd n GLN 57 Cb 0.58 -2.49 0.00 0.00 2.41 0.00 0.00 30.24 30.74 1opd n GLN 57 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1opd n GLY 58 N 2.76 0.94 3.71 1.69 0.00 0.28 -4.96 105.19 109.60 1opd n GLY 58 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1opd n GLY 58 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1opd s THR 59 N -2.63 3.68 -0.14 2.61 2.01 -0.75 -4.79 115.64 115.63 1opd s THR 59 Ca 0.00 1.18 -0.20 0.00 0.31 0.00 0.00 61.69 62.98 1opd s THR 59 Cb 0.00 -3.75 -0.04 0.00 0.01 0.00 0.00 72.50 68.72 1opd s THR 59 CO 0.00 0.07 0.56 -0.69 -0.69 0.00 0.00 174.62 173.87 1opd s VAL 60 N 1.42 5.11 0.13 3.82 1.01 -1.26 -1.53 120.40 129.10 1opd s VAL 60 Ca 0.62 1.10 0.09 0.00 0.00 0.00 0.00 61.98 63.79 1opd s VAL 60 Cb -0.33 -3.89 -0.04 0.00 0.00 0.00 0.00 36.38 32.12 1opd s VAL 60 CO 0.29 0.23 -0.23 0.68 0.00 0.00 0.00 175.10 176.07 1opd s VAL 61 N 1.15 1.96 -0.18 2.92 -7.23 -0.37 -4.62 120.40 114.03 1opd s VAL 61 Ca 0.28 -1.72 -0.05 0.00 -1.81 0.00 0.00 61.98 58.69 1opd s VAL 61 Cb -0.16 -1.79 -0.03 0.00 0.56 0.00 0.00 36.38 34.96 1opd s VAL 61 CO 0.12 -0.06 0.01 -0.89 -0.31 0.00 0.00 175.10 173.96 1opd s THR 62 N -1.32 4.21 -0.24 5.32 2.01 -0.17 -1.24 115.64 124.22 1opd s THR 62 Ca 0.12 -0.24 -0.07 0.00 0.31 0.00 0.00 61.69 61.81 1opd s THR 62 Cb -0.09 -2.88 -0.03 0.00 0.01 0.00 0.00 72.50 69.51 1opd s THR 62 CO 0.06 0.46 0.06 -0.63 -0.69 0.00 0.00 174.62 173.88 1opd s ILE 63 N 0.54 4.30 0.08 1.82 1.01 -0.05 -1.02 121.20 127.89 1opd s ILE 63 Ca -0.00 -0.18 0.08 0.00 0.00 0.00 0.00 60.65 60.54 1opd s ILE 63 Cb -0.14 -2.99 -0.03 0.00 0.01 0.00 0.00 42.46 39.31 1opd s ILE 63 CO 0.02 0.36 -0.20 -0.94 0.00 0.00 0.00 174.94 174.18 1opd s SER 64 N 1.42 2.45 0.03 3.58 1.04 -0.31 -1.36 113.70 120.54 1opd s SER 64 Ca 0.05 -0.63 0.00 0.00 0.48 0.00 0.00 55.95 55.86 1opd s SER 64 Cb -0.15 -0.15 -0.02 0.00 0.10 0.00 0.00 66.02 65.80 1opd s SER 64 CO 0.03 0.08 -0.04 0.00 0.98 0.00 0.00 173.24 174.29 1opd s ALA 65 N -1.05 0.24 -0.11 5.32 0.00 -0.03 -0.51 121.76 125.62 1opd s ALA 65 Ca 0.06 -0.66 -0.02 0.00 0.00 0.00 0.00 51.96 51.34 1opd s ALA 65 Cb -0.10 0.13 0.04 0.00 0.00 0.00 0.00 23.12 23.20 1opd s ALA 65 CO 0.03 -0.14 0.02 -2.00 0.00 0.00 0.00 175.76 173.68 1opd s GLU 66 N -1.61 0.51 0.00 0.00 2.56 -0.38 -1.37 118.70 118.41 1opd s GLU 66 Ca -0.14 -0.04 0.00 0.00 0.00 0.00 0.00 54.97 54.79 1opd s GLU 66 Cb -0.09 -1.35 0.00 0.00 2.00 0.00 0.00 34.13 34.69 1opd s GLU 66 CO -0.01 -0.44 0.00 0.41 -0.56 0.00 0.00 175.26 174.66 1opd n GLY 67 N 5.14 -1.37 0.26 -1.50 0.00 -1.26 -1.50 105.19 104.95 1opd n GLY 67 Ca -0.07 -1.30 0.12 0.00 0.00 0.00 0.00 46.02 44.77 1opd n GLY 67 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1opd h GLU 68 N 0.63 0.00 -0.05 1.61 4.81 -1.98 -2.85 114.58 116.75 1opd h GLU 68 Ca 0.00 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.15 1opd h GLU 68 Cb 0.00 0.00 -0.13 0.00 0.63 0.00 0.00 28.75 29.25 1opd h GLU 68 CO 0.00 0.13 -0.67 -0.40 -0.73 0.00 0.00 179.01 177.35 1opd n ASP 69 N -3.59 1.72 -0.34 1.04 5.68 -1.26 -4.89 116.55 114.90 1opd n ASP 69 Ca -0.01 -3.38 0.05 0.00 -0.50 0.00 0.00 54.79 50.95 1opd n ASP 69 Cb 0.27 -0.46 0.23 0.00 -1.14 0.00 0.00 41.12 40.02 1opd n ASP 69 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1opd h GLU 70 N 1.11 1.02 -0.17 0.11 4.11 -1.85 -0.82 114.58 118.08 1opd h GLU 70 Ca -0.04 -0.06 -0.07 0.00 0.07 0.00 0.00 59.36 59.26 1opd h GLU 70 Cb 1.26 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 30.28 1opd h GLU 70 CO 0.07 0.67 -0.18 0.37 0.07 0.00 0.00 179.01 180.02 1opd h GLN 71 N 1.05 0.42 -0.91 1.06 4.15 -1.90 -2.55 115.11 116.42 1opd h GLN 71 Ca 0.44 -0.22 -0.00 0.00 0.77 0.00 0.00 58.65 59.64 1opd h GLN 71 Cb 0.32 0.01 -0.04 0.00 0.21 0.00 0.00 27.48 27.98 1opd h GLN 71 CO -0.20 0.79 0.56 -0.22 -1.93 0.00 0.00 178.83 177.83 1opd h LYS 72 N 0.07 1.24 -0.12 1.69 3.64 -1.86 -1.20 116.57 120.04 1opd h LYS 72 Ca 0.03 -0.11 -0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1opd h LYS 72 Cb 0.72 -0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 1opd h LYS 72 CO 0.04 0.86 0.06 0.00 -2.27 0.00 0.00 179.45 178.15 1opd h ALA 73 N 1.31 0.15 0.00 5.00 0.00 -1.12 -1.98 119.26 122.61 1opd h ALA 73 Ca 0.33 -0.05 -0.19 0.00 0.00 0.00 0.00 54.91 55.00 1opd h ALA 73 Cb -0.07 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1opd h ALA 73 CO -0.06 -0.32 -0.90 -0.39 0.00 0.00 0.00 179.25 177.58 1opd h VAL 74 N 0.09 1.59 -0.69 0.00 -1.51 -1.19 -1.15 116.25 113.39 1opd h VAL 74 Ca 0.04 -3.14 -0.07 0.00 -1.23 0.00 0.00 66.70 62.30 1opd h VAL 74 Cb 0.07 2.72 -0.03 0.00 -2.13 0.00 0.00 31.29 31.92 1opd h VAL 74 CO -0.01 0.88 0.15 -0.08 -1.23 0.00 0.00 177.57 177.29 1opd h GLU 75 N 0.00 1.12 -0.37 5.19 4.81 -1.21 -0.12 114.58 123.99 1opd h GLU 75 Ca -0.01 -0.27 -0.05 0.00 -0.13 0.00 0.00 59.36 58.90 1opd h GLU 75 Cb 1.64 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.87 1opd h GLU 75 CO 0.12 0.99 0.04 0.45 -0.73 0.00 0.00 179.01 179.88 1opd h HIS 76 N 1.05 0.68 -0.26 0.92 3.86 -1.22 -2.21 115.15 117.97 1opd h HIS 76 Ca 0.22 -0.10 -0.13 0.00 -1.16 0.00 0.00 60.37 59.19 1opd h HIS 76 Cb 0.39 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 28.66 1opd h HIS 76 CO 0.03 0.70 -0.37 -0.07 0.86 0.00 0.00 177.93 179.08 1opd h LEU 77 N 0.47 0.62 -0.22 2.43 4.07 -0.93 -1.03 115.31 120.72 1opd h LEU 77 Ca 0.11 -0.26 -0.01 0.00 0.08 0.00 0.00 57.88 57.79 1opd h LEU 77 Cb 0.40 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 41.96 1opd h LEU 77 CO 0.01 0.93 0.08 0.58 -1.08 0.00 0.00 178.44 178.96 1opd h VAL 78 N 0.49 1.18 -0.56 1.22 2.07 -0.98 -0.00 116.25 119.66 1opd h VAL 78 Ca 0.05 -0.54 0.01 0.00 0.82 0.00 0.00 66.70 67.04 1opd h VAL 78 Cb 0.86 1.12 -0.03 0.00 -1.52 0.00 0.00 31.29 31.72 1opd h VAL 78 CO 0.07 0.18 0.36 0.50 0.02 0.00 0.00 177.57 178.70 1opd h LYS 79 N 0.20 0.71 -0.13 1.57 1.63 -1.27 -2.38 116.57 116.90 1opd h LYS 79 Ca 0.07 -0.04 -0.00 0.00 -0.85 0.00 0.00 60.65 59.83 1opd h LYS 79 Cb 0.20 -0.16 -0.01 0.00 -0.60 0.00 0.00 32.23 31.66 1opd h LYS 79 CO -0.00 0.47 0.07 1.25 -3.45 0.00 0.00 179.45 177.79 1opd h LEU 80 N 0.73 0.16 -1.20 5.20 5.85 -1.00 -2.93 115.31 122.12 1opd h LEU 80 Ca 0.22 -0.06 0.07 0.00 0.84 0.00 0.00 57.88 58.94 1opd h LEU 80 Cb -0.04 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 40.89 1opd h LEU 80 CO -0.07 0.18 0.57 -0.03 -0.34 0.00 0.00 178.44 178.75 1opd h MET 81 N 0.12 0.93 0.00 1.25 4.05 -0.74 -0.20 114.93 120.35 1opd h MET 81 Ca 0.05 -0.06 -0.03 0.00 -0.28 0.00 0.00 59.70 59.38 1opd h MET 81 Cb 0.05 -0.21 -0.00 0.00 -0.80 0.00 0.00 31.60 30.64 1opd h MET 81 CO -0.01 0.62 -0.15 0.00 0.23 0.00 0.00 176.91 177.60 1opd h ALA 82 N 1.53 1.02 0.00 0.39 0.00 -1.36 -3.22 119.26 117.62 1opd h ALA 82 Ca 0.38 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1opd h ALA 82 Cb 0.23 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1opd h ALA 82 CO -0.14 0.18 -0.95 -0.85 0.00 0.00 0.00 179.25 177.50 1opd n GLU 83 N -3.30 1.69 -2.08 0.00 0.28 -0.57 -4.88 120.64 111.78 1opd n GLU 83 Ca 0.00 -0.03 -0.41 0.00 -0.16 0.00 0.00 57.16 56.56 1opd n GLU 83 Cb 0.39 -1.24 -0.02 0.00 1.43 0.00 0.00 31.44 32.00 1opd n GLU 83 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1opd s LEU 84 N -3.04 4.41 0.00 -1.84 1.43 -0.19 -5.10 118.68 114.35 1opd s LEU 84 Ca 0.03 2.68 0.30 0.00 -1.03 0.00 0.00 54.13 56.11 1opd s LEU 84 Cb 0.11 -3.64 1.50 0.00 0.03 0.00 0.00 46.19 44.18 1opd s LEU 84 CO 0.62 -0.60 2.00 -1.84 0.23 0.00 0.00 176.35 176.75