#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x60 s LYS 2 N 0.00 3.07 0.98 1.47 -0.14 -1.26 -4.98 119.74 118.88 1x60 s LYS 2 Ca 0.00 -0.38 -0.12 0.00 -1.36 0.00 0.00 55.97 54.11 1x60 s LYS 2 Cb 0.00 -4.80 0.18 0.00 -1.68 0.00 0.00 37.83 31.52 1x60 s LYS 2 CO 0.00 -2.56 1.08 0.21 -0.76 0.00 0.00 175.35 173.33 1x60 s LYS 3 N 6.02 0.56 0.45 1.68 2.47 -1.26 -4.85 119.74 124.81 1x60 s LYS 3 Ca 0.52 0.90 0.00 0.00 -1.56 0.00 0.00 55.97 55.83 1x60 s LYS 3 Cb -0.06 -1.72 0.00 0.00 -1.46 0.00 0.00 37.83 34.59 1x60 s LYS 3 CO 0.04 -2.74 0.00 2.41 0.16 0.00 0.00 175.35 175.22 1x60 n THR 4 N -4.24 -0.46 -0.07 3.43 -1.04 -1.26 -4.88 114.28 105.76 1x60 n THR 4 Ca 0.06 0.61 -0.08 0.00 -2.04 0.00 0.00 64.05 62.60 1x60 n THR 4 Cb 0.55 -0.98 -0.08 0.00 -1.82 0.00 0.00 70.33 68.00 1x60 n THR 4 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1x60 n SER 5 N -3.85 2.58 -2.52 8.00 2.88 -1.26 -5.08 113.62 114.37 1x60 n SER 5 Ca -0.06 -0.05 -0.13 0.00 -1.33 0.00 0.00 58.87 57.31 1x60 n SER 5 Cb 0.53 0.19 -0.05 0.00 -0.75 0.00 0.00 64.21 64.13 1x60 n SER 5 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1x60 n SER 6 N -2.72 -0.01 -2.47 -3.46 3.41 -1.26 -5.17 113.62 101.94 1x60 n SER 6 Ca -0.23 -2.34 0.00 0.00 -0.26 0.00 0.00 58.87 56.04 1x60 n SER 6 Cb 0.82 0.92 0.00 0.00 -0.26 0.00 0.00 64.21 65.68 1x60 n SER 6 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1x60 n SER 7 N -2.07 -0.33 -2.82 4.04 2.88 -1.26 -5.01 113.62 109.06 1x60 n SER 7 Ca 0.02 -0.58 -0.12 0.00 -1.33 0.00 0.00 58.87 56.86 1x60 n SER 7 Cb 0.37 0.00 0.09 0.00 -0.75 0.00 0.00 64.21 63.92 1x60 n SER 7 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x60 n GLY 8 N 3.89 -1.54 3.02 0.46 0.00 -1.26 -4.66 105.19 105.11 1x60 n GLY 8 Ca 0.00 -1.64 -0.12 0.00 0.00 0.00 0.00 46.02 44.25 1x60 n GLY 8 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x60 s LEU 9 N 0.00 1.48 -0.45 0.99 1.43 0.29 -4.86 118.68 117.57 1x60 s LEU 9 Ca 0.31 0.26 -0.15 0.00 -1.03 0.00 0.00 54.13 53.52 1x60 s LEU 9 Cb -0.01 0.48 0.06 0.00 0.03 0.00 0.00 46.19 46.74 1x60 s LEU 9 CO 0.22 -0.06 0.35 -0.31 0.23 0.00 0.00 176.35 176.78 1x60 s TYR 10 N 0.02 3.25 0.17 0.29 2.02 -0.81 -0.40 117.35 121.89 1x60 s TYR 10 Ca -0.01 -0.90 0.08 0.00 -0.37 0.00 0.00 57.07 55.87 1x60 s TYR 10 Cb -0.01 -2.97 -0.04 0.00 -0.40 0.00 0.00 41.96 38.54 1x60 s TYR 10 CO 0.00 -0.74 -0.16 0.15 -1.57 0.00 0.00 175.55 173.23 1x60 s LYS 11 N 1.63 1.25 -0.09 -0.62 1.02 -1.02 -1.10 119.74 120.80 1x60 s LYS 11 Ca 0.04 -1.44 -0.01 0.00 0.02 0.00 0.00 55.97 54.58 1x60 s LYS 11 Cb -0.23 -1.18 -0.03 0.00 -0.52 0.00 0.00 37.83 35.87 1x60 s LYS 11 CO 0.07 0.22 -0.02 0.08 -0.92 0.00 0.00 175.35 174.79 1x60 s VAL 12 N -2.38 4.13 -0.04 3.17 1.01 0.05 -1.43 120.40 124.91 1x60 s VAL 12 Ca 0.17 -0.31 0.02 0.00 0.00 0.00 0.00 61.98 61.86 1x60 s VAL 12 Cb -0.04 -2.73 0.01 0.00 0.00 0.00 0.00 36.38 33.61 1x60 s VAL 12 CO 0.06 0.59 -0.10 -1.58 0.00 0.00 0.00 175.10 174.07 1x60 s GLN 13 N -0.74 1.17 0.00 2.72 0.74 0.21 0.13 119.66 123.88 1x60 s GLN 13 Ca 0.11 -0.33 0.15 0.00 0.05 0.00 0.00 55.36 55.35 1x60 s GLN 13 Cb -0.11 -1.05 -0.03 0.00 1.10 0.00 0.00 33.01 32.91 1x60 s GLN 13 CO 0.02 0.08 0.78 0.44 -0.55 0.00 0.00 175.29 176.06 1x60 n ILE 14 N 3.48 0.00 0.00 -2.34 -0.00 -0.85 0.42 119.36 120.07 1x60 n ILE 14 Ca -0.20 -0.31 0.00 0.00 -0.00 0.00 0.00 62.75 62.24 1x60 n ILE 14 Cb 0.53 1.15 0.00 0.00 -0.00 0.00 0.00 39.64 41.32 1x60 n ILE 14 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1x60 n GLY 15 N 1.15 0.62 3.31 3.28 0.00 -1.22 -4.51 105.19 107.81 1x60 n GLY 15 Ca 0.06 -1.27 -0.13 0.00 0.00 0.00 0.00 46.02 44.67 1x60 n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x60 s ALA 16 N -1.96 -1.02 -0.01 4.61 0.00 -1.26 0.27 121.76 122.40 1x60 s ALA 16 Ca 0.00 1.01 -0.12 0.00 0.00 0.00 0.00 51.96 52.86 1x60 s ALA 16 Cb 0.00 -0.50 0.01 0.00 0.00 0.00 0.00 23.12 22.64 1x60 s ALA 16 CO 0.00 -0.22 0.24 -0.06 0.00 0.00 0.00 175.76 175.72 1x60 s PHE 17 N -0.17 -0.08 -0.43 0.00 0.40 0.35 -4.89 117.98 113.16 1x60 s PHE 17 Ca -0.03 0.09 0.17 0.00 -0.60 0.00 0.00 56.93 56.56 1x60 s PHE 17 Cb -0.03 0.04 0.89 0.00 0.51 0.00 0.00 43.02 44.42 1x60 s PHE 17 CO 0.02 -0.35 1.53 0.36 0.70 0.00 0.00 175.22 177.48 1x60 n LYS 18 N 1.32 0.11 -4.13 0.44 2.85 -1.26 0.83 118.16 118.32 1x60 n LYS 18 Ca -0.22 0.57 -0.35 0.00 -1.05 0.00 0.00 58.31 57.26 1x60 n LYS 18 Cb 0.56 -1.84 -0.12 0.00 -0.65 0.00 0.00 35.03 32.98 1x60 n LYS 18 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 1x60 s VAL 19 N -3.39 4.17 0.13 0.58 1.01 -1.26 -4.63 120.40 117.01 1x60 s VAL 19 Ca -0.01 -0.25 -0.13 0.00 0.00 0.00 0.00 61.98 61.59 1x60 s VAL 19 Cb 0.06 -2.88 -0.03 0.00 0.00 0.00 0.00 36.38 33.53 1x60 s VAL 19 CO 0.19 0.45 1.51 0.50 0.00 0.00 0.00 175.10 177.74 1x60 h LYS 20 N 7.14 0.80 -0.48 2.72 3.11 -1.95 -1.50 116.57 126.40 1x60 h LYS 20 Ca -0.35 -0.34 0.11 0.00 -2.81 0.00 0.00 60.65 57.26 1x60 h LYS 20 Cb 1.18 -0.03 -0.03 0.00 -1.00 0.00 0.00 32.23 32.36 1x60 h LYS 20 CO 0.63 0.96 0.33 0.00 -2.81 0.00 0.00 179.45 178.57 1x60 h ALA 21 N 0.82 2.20 0.07 5.00 0.00 -1.96 0.42 119.26 125.81 1x60 h ALA 21 Ca 0.09 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.74 1x60 h ALA 21 Cb 0.71 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1x60 h ALA 21 CO 0.05 -0.33 -1.10 -0.91 0.00 0.00 0.00 179.25 176.96 1x60 h ASN 22 N 0.19 0.44 1.29 0.00 2.35 -1.87 -2.56 115.58 115.41 1x60 h ASN 22 Ca 0.23 -0.42 0.00 0.00 -0.55 0.00 0.00 56.30 55.56 1x60 h ASN 22 Cb 0.65 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.88 1x60 h ASN 22 CO -0.04 1.27 0.00 0.00 -1.65 0.00 0.00 177.43 177.01 1x60 h ALA 23 N 0.68 1.00 0.15 -0.83 0.00 0.40 -2.64 119.26 118.02 1x60 h ALA 23 Ca -0.11 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.48 1x60 h ALA 23 Cb 1.79 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.58 1x60 h ALA 23 CO 0.18 0.00 -1.64 -0.44 0.00 0.00 0.00 179.25 177.35 1x60 h ASP 24 N 0.00 0.50 -0.46 0.00 5.19 -0.27 -2.73 116.42 118.64 1x60 h ASP 24 Ca 0.00 -0.72 -0.08 0.00 -0.62 0.00 0.00 57.03 55.61 1x60 h ASP 24 Cb 0.64 -0.16 -0.02 0.00 0.18 0.00 0.00 39.33 39.97 1x60 h ASP 24 CO 0.00 1.60 0.02 -1.28 -3.12 0.00 0.00 179.24 176.46 1x60 h SER 25 N 0.09 0.84 0.11 6.45 0.87 -1.37 -1.27 113.55 119.26 1x60 h SER 25 Ca -0.29 -0.20 -0.01 0.00 -1.23 0.00 0.00 61.79 60.06 1x60 h SER 25 Cb 2.06 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 63.80 1x60 h SER 25 CO 0.17 0.89 -0.05 0.25 -0.53 0.00 0.00 176.83 177.55 1x60 h LEU 26 N 0.81 -0.13 -2.40 2.23 5.85 -1.57 -2.44 115.31 117.66 1x60 h LEU 26 Ca 0.16 -0.26 0.03 0.00 0.84 0.00 0.00 57.88 58.65 1x60 h LEU 26 Cb 0.46 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.52 1x60 h LEU 26 CO 0.02 0.19 0.14 0.00 -0.34 0.00 0.00 178.44 178.45 1x60 h ALA 27 N 0.37 1.54 -0.16 1.25 0.00 -1.32 -0.46 119.26 120.48 1x60 h ALA 27 Ca -0.02 -0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.70 1x60 h ALA 27 Cb 0.38 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.18 1x60 h ALA 27 CO 0.03 -0.18 -0.66 0.77 0.00 0.00 0.00 179.25 179.20 1x60 h SER 28 N 0.00 0.85 -0.34 0.00 0.02 -0.81 -2.57 113.55 110.71 1x60 h SER 28 Ca 0.04 -0.62 0.02 0.00 -0.84 0.00 0.00 61.79 60.39 1x60 h SER 28 Cb 0.32 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 1x60 h SER 28 CO -0.00 1.33 0.19 -0.55 -1.14 0.00 0.00 176.83 176.66 1x60 h ASN 29 N 0.43 0.31 -0.84 3.07 7.08 -0.63 -2.29 115.58 122.70 1x60 h ASN 29 Ca -0.04 0.00 -0.03 0.00 -3.08 0.00 0.00 56.30 53.16 1x60 h ASN 29 Cb 1.29 -0.06 -0.04 0.00 -2.08 0.00 0.00 38.32 37.43 1x60 h ASN 29 CO 0.14 0.23 0.43 0.00 -2.08 0.00 0.00 177.43 176.14 1x60 h ALA 30 N 1.15 1.08 -0.85 4.14 0.00 -1.54 -2.12 119.26 121.12 1x60 h ALA 30 Ca 0.13 -0.15 0.12 0.00 0.00 0.00 0.00 54.91 55.01 1x60 h ALA 30 Cb 0.01 -0.33 -0.06 0.00 0.00 0.00 0.00 17.79 17.40 1x60 h ALA 30 CO -0.07 0.63 0.55 1.49 0.00 0.00 0.00 179.25 181.85 1x60 h GLU 31 N 1.19 0.72 -0.23 0.00 4.81 -1.00 -1.38 114.58 118.69 1x60 h GLU 31 Ca 0.29 -0.04 0.05 0.00 -0.13 0.00 0.00 59.36 59.53 1x60 h GLU 31 Cb 0.09 -0.16 -0.05 0.00 0.63 0.00 0.00 28.75 29.25 1x60 h GLU 31 CO -0.04 0.48 -0.11 0.00 -0.73 0.00 0.00 179.01 178.61 1x60 h ALA 32 N 1.59 0.08 0.00 2.92 0.00 -0.90 0.22 119.26 123.17 1x60 h ALA 32 Ca 0.41 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.39 1x60 h ALA 32 Cb 0.55 0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 1x60 h ALA 32 CO -0.17 -0.52 -0.10 0.87 0.00 0.00 0.00 179.25 179.32 1x60 h LYS 33 N -0.08 0.00 0.00 0.00 1.79 -1.29 -3.45 116.57 113.53 1x60 h LYS 33 Ca 0.12 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.59 1x60 h LYS 33 Cb 0.27 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.92 1x60 h LYS 33 CO -0.28 0.10 0.00 0.41 -1.08 0.00 0.00 179.45 178.59 1x60 n GLY 34 N -1.13 1.77 3.93 3.86 0.00 0.77 -5.13 105.19 109.27 1x60 n GLY 34 Ca -0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.74 1x60 n GLY 34 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1x60 s PHE 35 N -2.00 3.45 -0.91 1.61 0.08 -0.84 -4.98 117.98 114.39 1x60 s PHE 35 Ca 0.00 0.08 -0.22 0.00 0.12 0.00 0.00 56.93 56.91 1x60 s PHE 35 Cb 0.00 -1.63 0.08 0.00 -0.57 0.00 0.00 43.02 40.89 1x60 s PHE 35 CO 0.00 0.50 1.25 -0.51 -0.10 0.00 0.00 175.22 176.37 1x60 s ASP 36 N -3.35 6.47 0.57 1.36 1.01 -1.26 -4.01 116.67 117.46 1x60 s ASP 36 Ca 0.34 -1.49 -0.13 0.00 0.71 0.00 0.00 52.55 51.97 1x60 s ASP 36 Cb -0.11 -2.49 -0.06 0.00 1.01 0.00 0.00 42.92 41.28 1x60 s ASP 36 CO 0.28 -1.38 1.01 -0.94 0.21 0.00 0.00 175.17 174.35 1x60 s SER 37 N 4.20 6.41 -0.21 0.27 1.04 -1.26 -1.93 113.70 122.23 1x60 s SER 37 Ca 0.37 1.48 -0.25 0.00 0.48 0.00 0.00 55.95 58.03 1x60 s SER 37 Cb -0.05 -2.48 0.07 0.00 0.10 0.00 0.00 66.02 63.65 1x60 s SER 37 CO -0.04 -0.73 0.67 -0.51 0.98 0.00 0.00 173.24 173.60 1x60 s ILE 38 N -2.91 0.00 -0.15 -1.02 2.07 0.12 -4.94 121.20 114.37 1x60 s ILE 38 Ca 0.57 -0.01 0.01 0.00 -1.41 0.00 0.00 60.65 59.81 1x60 s ILE 38 Cb -0.10 -0.95 0.02 0.00 0.13 0.00 0.00 42.46 41.56 1x60 s ILE 38 CO 0.43 -0.01 -0.19 -0.69 -1.91 0.00 0.00 174.94 172.58 1x60 s VAL 39 N -0.01 1.87 -0.16 4.00 1.01 -1.25 -0.78 120.40 125.07 1x60 s VAL 39 Ca -0.03 -0.84 -0.01 0.00 0.00 0.00 0.00 61.98 61.11 1x60 s VAL 39 Cb -0.04 -1.69 -0.01 0.00 0.00 0.00 0.00 36.38 34.65 1x60 s VAL 39 CO 0.03 0.51 -0.12 -0.22 0.00 0.00 0.00 175.10 175.30 1x60 s LEU 40 N 1.14 2.63 -0.37 3.92 2.96 -0.76 -4.90 118.68 123.29 1x60 s LEU 40 Ca -0.01 -0.42 -0.25 0.00 -0.22 0.00 0.00 54.13 53.24 1x60 s LEU 40 Cb -0.14 -1.62 0.01 0.00 0.50 0.00 0.00 46.19 44.95 1x60 s LEU 40 CO -0.07 0.08 0.88 -0.22 -1.32 0.00 0.00 176.35 175.70 1x60 s LEU 41 N 0.85 4.04 0.37 -0.68 2.96 -1.26 -1.21 118.68 123.75 1x60 s LEU 41 Ca -0.04 0.48 0.07 0.00 -0.22 0.00 0.00 54.13 54.42 1x60 s LEU 41 Cb -0.15 -3.18 -0.00 0.00 0.50 0.00 0.00 46.19 43.35 1x60 s LEU 41 CO 0.00 -0.83 0.48 -1.59 -1.32 0.00 0.00 176.35 173.09 1x60 s LYS 42 N 3.37 2.94 0.00 1.98 0.00 0.24 -4.94 119.74 123.34 1x60 s LYS 42 Ca 0.36 -1.15 -0.10 0.00 0.00 0.00 0.00 55.97 55.08 1x60 s LYS 42 Cb -0.12 -2.74 -0.12 0.00 0.00 0.00 0.00 37.83 34.85 1x60 s LYS 42 CO 0.19 -0.07 1.03 -0.25 0.00 0.00 0.00 175.35 176.25 1x60 n ASP 43 N -1.68 0.24 0.00 0.03 9.92 -1.26 -2.01 116.55 121.79 1x60 n ASP 43 Ca 0.03 -1.86 0.00 0.00 -0.53 0.00 0.00 54.79 52.43 1x60 n ASP 43 Cb 0.59 -0.40 0.00 0.00 -0.64 0.00 0.00 41.12 40.67 1x60 n ASP 43 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1x60 n GLY 44 N 4.10 1.25 3.12 0.44 0.00 -1.26 -5.13 105.19 107.72 1x60 n GLY 44 Ca 0.15 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.07 1x60 n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x60 s LEU 45 N 0.00 1.63 -0.16 0.99 1.43 -0.85 -4.45 118.68 117.27 1x60 s LEU 45 Ca 0.00 -0.38 -0.04 0.00 -1.03 0.00 0.00 54.13 52.69 1x60 s LEU 45 Cb 0.00 0.69 -0.03 0.00 0.03 0.00 0.00 46.19 46.88 1x60 s LEU 45 CO 0.00 -0.46 -0.04 -0.31 0.23 0.00 0.00 176.35 175.77 1x60 s TYR 46 N -2.11 3.01 0.02 0.29 1.51 0.24 0.79 117.35 121.11 1x60 s TYR 46 Ca -0.09 -0.33 0.00 0.00 -1.01 0.00 0.00 57.07 55.65 1x60 s TYR 46 Cb -0.04 -1.96 -0.04 0.00 -0.11 0.00 0.00 41.96 39.82 1x60 s TYR 46 CO -0.02 -0.05 0.10 0.15 -1.11 0.00 0.00 175.55 174.62 1x60 s LYS 47 N 0.39 3.10 -0.30 -0.62 3.01 -0.35 0.13 119.74 125.10 1x60 s LYS 47 Ca -0.04 -0.51 0.03 0.00 -1.01 0.00 0.00 55.97 54.44 1x60 s LYS 47 Cb -0.14 -2.87 0.08 0.00 -1.01 0.00 0.00 37.83 33.89 1x60 s LYS 47 CO 0.03 0.63 -0.03 0.08 0.51 0.00 0.00 175.35 176.57 1x60 s VAL 48 N -1.28 2.11 -0.03 3.17 1.01 0.14 -1.84 120.40 123.69 1x60 s VAL 48 Ca 0.26 -1.91 0.03 0.00 0.00 0.00 0.00 61.98 60.36 1x60 s VAL 48 Cb -0.12 -2.39 -0.03 0.00 0.00 0.00 0.00 36.38 33.83 1x60 s VAL 48 CO 0.18 -0.31 -0.09 -1.58 0.00 0.00 0.00 175.10 173.29 1x60 s GLN 49 N 1.06 2.57 -0.06 2.72 0.74 0.04 -2.01 119.66 124.72 1x60 s GLN 49 Ca 0.01 -0.68 -0.00 0.00 0.05 0.00 0.00 55.36 54.73 1x60 s GLN 49 Cb -0.19 -2.48 0.03 0.00 1.10 0.00 0.00 33.01 31.46 1x60 s GLN 49 CO -0.07 0.62 -0.01 0.96 -0.55 0.00 0.00 175.29 176.24 1x60 s ILE 50 N -0.88 0.41 0.00 -2.34 -5.25 0.34 0.14 121.20 113.63 1x60 s ILE 50 Ca 0.14 0.05 0.00 0.00 -0.99 0.00 0.00 60.65 59.85 1x60 s ILE 50 Cb -0.11 -0.52 0.00 0.00 2.95 0.00 0.00 42.46 44.78 1x60 s ILE 50 CO 0.04 0.24 0.00 0.61 -1.79 0.00 0.00 174.94 174.04 1x60 n GLY 51 N 4.72 -2.67 2.90 6.27 0.00 -0.81 -2.98 105.19 112.63 1x60 n GLY 51 Ca -0.14 -0.53 -0.28 0.00 0.00 0.00 0.00 46.02 45.07 1x60 n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x60 s ALA 52 N 0.00 1.43 0.23 4.61 0.00 -1.26 -0.77 121.76 126.00 1x60 s ALA 52 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 51.96 51.25 1x60 s ALA 52 Cb 0.00 -1.03 -0.05 0.00 0.00 0.00 0.00 23.12 22.04 1x60 s ALA 52 CO 0.00 -0.61 0.11 -0.06 0.00 0.00 0.00 175.76 175.20 1x60 s PHE 53 N 1.66 1.36 -0.60 0.00 0.40 -0.26 -5.00 117.98 115.54 1x60 s PHE 53 Ca 0.03 -1.28 0.25 0.00 -0.60 0.00 0.00 56.93 55.32 1x60 s PHE 53 Cb -0.14 -0.74 0.60 0.00 0.51 0.00 0.00 43.02 43.25 1x60 s PHE 53 CO -0.08 -0.48 1.70 0.66 0.70 0.00 0.00 175.22 177.71 1x60 h SER 54 N 2.49 0.00 -3.45 1.36 4.64 -1.95 -2.14 113.55 114.50 1x60 h SER 54 Ca -0.37 -0.00 -0.66 0.00 -0.47 0.00 0.00 61.79 60.28 1x60 h SER 54 Cb 1.25 0.00 -0.27 0.00 -0.31 0.00 0.00 62.40 63.07 1x60 h SER 54 CO 0.57 0.00 -0.77 -0.55 -0.87 0.00 0.00 176.83 175.21 1x60 s SER 55 N -5.26 3.96 0.32 4.97 0.15 -1.26 -4.65 113.70 111.92 1x60 s SER 55 Ca 0.09 -0.32 0.02 0.00 0.70 0.00 0.00 55.95 56.44 1x60 s SER 55 Cb 0.09 -1.46 0.58 0.00 -1.71 0.00 0.00 66.02 63.52 1x60 s SER 55 CO 0.63 0.20 1.93 0.50 1.20 0.00 0.00 173.24 177.70 1x60 h LYS 56 N 6.47 0.93 -1.28 5.44 3.64 -1.88 -1.74 116.57 128.14 1x60 h LYS 56 Ca -0.29 -0.06 0.37 0.00 -1.27 0.00 0.00 60.65 59.41 1x60 h LYS 56 Cb 1.20 -0.21 -0.08 0.00 -0.41 0.00 0.00 32.23 32.73 1x60 h LYS 56 CO 0.54 0.62 0.88 0.22 -2.27 0.00 0.00 179.45 179.44 1x60 h ASP 57 N 0.96 0.17 -0.02 4.20 3.58 -1.97 0.35 116.42 123.69 1x60 h ASP 57 Ca 0.36 0.05 -0.02 0.00 0.42 0.00 0.00 57.03 57.85 1x60 h ASP 57 Cb 0.19 0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.27 1x60 h ASP 57 CO -0.13 -0.02 -0.05 0.78 -2.88 0.00 0.00 179.24 176.95 1x60 h ASN 58 N 0.12 0.08 -0.59 2.28 4.21 -1.70 -2.75 115.58 117.23 1x60 h ASN 58 Ca 0.68 -0.59 0.04 0.00 1.21 0.00 0.00 56.30 57.63 1x60 h ASN 58 Cb 2.32 -0.02 -0.04 0.00 -1.12 0.00 0.00 38.32 39.46 1x60 h ASN 58 CO -0.17 0.66 0.35 0.00 -1.29 0.00 0.00 177.43 176.97 1x60 h ALA 59 N 0.42 0.77 0.13 -0.83 0.00 -0.47 -1.38 119.26 117.91 1x60 h ALA 59 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1x60 h ALA 59 Cb 0.65 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1x60 h ALA 59 CO 0.01 0.06 -0.13 -0.44 0.00 0.00 0.00 179.25 178.74 1x60 h ASP 60 N 0.67 -0.35 -0.51 0.00 5.19 -1.01 0.31 116.42 120.71 1x60 h ASP 60 Ca 0.25 0.03 0.03 0.00 -0.62 0.00 0.00 57.03 56.72 1x60 h ASP 60 Cb 0.07 0.12 -0.03 0.00 0.18 0.00 0.00 39.33 39.68 1x60 h ASP 60 CO -0.13 -0.20 0.34 0.71 -3.12 0.00 0.00 179.24 176.84 1x60 h THR 61 N -0.29 1.07 0.09 0.35 1.35 -1.25 -0.60 112.91 113.63 1x60 h THR 61 Ca 0.01 -0.20 -0.00 0.00 -0.55 0.00 0.00 66.41 65.66 1x60 h THR 61 Cb 0.28 0.42 0.00 0.00 -1.73 0.00 0.00 68.15 67.11 1x60 h THR 61 CO -0.04 0.11 -0.05 0.25 -0.25 0.00 0.00 175.52 175.55 1x60 h LEU 62 N 0.60 -0.11 0.40 3.87 7.12 -0.70 -2.43 115.31 124.06 1x60 h LEU 62 Ca 0.20 -0.41 -0.01 0.00 0.13 0.00 0.00 57.88 57.80 1x60 h LEU 62 Cb 0.08 0.03 -0.03 0.00 -0.53 0.00 0.00 40.66 40.21 1x60 h LEU 62 CO -0.05 0.39 -0.48 0.00 -0.13 0.00 0.00 178.44 178.17 1x60 h ALA 63 N 0.17 -1.03 -0.96 1.25 0.00 0.01 0.17 119.26 118.87 1x60 h ALA 63 Ca -0.01 -0.16 0.20 0.00 0.00 0.00 0.00 54.91 54.93 1x60 h ALA 63 Cb 0.51 0.72 -0.08 0.00 0.00 0.00 0.00 17.79 18.94 1x60 h ALA 63 CO 0.02 -1.12 0.61 0.00 0.00 0.00 0.00 179.25 178.76 1x60 h ALA 64 N -0.67 1.97 -0.57 0.00 0.00 -1.23 0.51 119.26 119.26 1x60 h ALA 64 Ca -0.04 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1x60 h ALA 64 Cb 0.82 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 1x60 h ALA 64 CO -0.11 -0.29 0.06 -0.09 0.00 0.00 0.00 179.25 178.83 1x60 h ARG 65 N 0.58 0.94 -0.54 0.00 2.43 -0.77 -0.06 114.38 116.96 1x60 h ARG 65 Ca 0.52 -0.24 -0.07 0.00 -0.81 0.00 0.00 59.98 59.38 1x60 h ARG 65 Cb 1.04 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.46 1x60 h ARG 65 CO -0.26 0.89 0.08 0.00 -1.51 0.00 0.00 179.97 179.16 1x60 h ALA 66 N 1.18 0.72 -0.28 2.80 0.00 0.29 0.94 119.26 124.91 1x60 h ALA 66 Ca 0.17 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1x60 h ALA 66 Cb 0.43 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1x60 h ALA 66 CO 0.01 0.48 0.14 0.87 0.00 0.00 0.00 179.25 180.75 1x60 h LYS 67 N 0.79 0.40 0.00 0.00 1.57 0.15 1.29 116.57 120.77 1x60 h LYS 67 Ca 0.16 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.84 1x60 h LYS 67 Cb 0.43 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 1x60 h LYS 67 CO 0.01 0.37 -0.25 -0.97 -0.57 0.00 0.00 179.45 178.04 1x60 h ASN 68 N 0.32 0.00 1.44 0.86 -1.24 -0.77 -2.46 115.58 113.73 1x60 h ASN 68 Ca 0.10 0.00 -0.06 0.00 0.71 0.00 0.00 56.30 57.05 1x60 h ASN 68 Cb 0.10 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.14 1x60 h ASN 68 CO -0.01 0.25 -0.28 0.00 -1.29 0.00 0.00 177.43 176.10 1x60 h ALA 69 N 1.75 0.86 0.00 1.57 0.00 0.20 -3.47 119.26 120.17 1x60 h ALA 69 Ca -0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1x60 h ALA 69 Cb 0.67 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1x60 h ALA 69 CO 0.03 0.35 0.00 0.41 0.00 0.00 0.00 179.25 180.05 1x60 n GLY 70 N 0.84 1.76 3.15 0.00 0.00 0.55 -5.03 105.19 106.46 1x60 n GLY 70 Ca 0.02 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.86 1x60 n GLY 70 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1x60 s PHE 71 N -2.00 1.15 -1.20 1.61 0.08 0.41 -4.98 117.98 113.06 1x60 s PHE 71 Ca 0.00 -0.44 -0.10 0.00 0.12 0.00 0.00 56.93 56.51 1x60 s PHE 71 Cb 0.00 -0.66 0.21 0.00 -0.57 0.00 0.00 43.02 42.00 1x60 s PHE 71 CO 0.00 0.04 1.56 -3.47 -0.10 0.00 0.00 175.22 173.25 1x60 n ASP 72 N 1.42 5.44 -4.81 1.36 2.03 -1.26 -1.46 116.55 119.27 1x60 n ASP 72 Ca -0.21 -3.12 -0.37 0.00 0.52 0.00 0.00 54.79 51.62 1x60 n ASP 72 Cb 0.54 -1.45 -0.06 0.00 -0.72 0.00 0.00 41.12 39.43 1x60 n ASP 72 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1x60 s ALA 73 N -0.09 3.43 0.06 -1.67 0.00 -1.26 -4.09 121.76 118.14 1x60 s ALA 73 Ca 0.38 0.20 0.03 0.00 0.00 0.00 0.00 51.96 52.57 1x60 s ALA 73 Cb 0.02 -2.84 -0.03 0.00 0.00 0.00 0.00 23.12 20.27 1x60 s ALA 73 CO 0.01 0.32 -0.09 0.96 0.00 0.00 0.00 175.76 176.96 1x60 s ILE 74 N -1.43 0.70 -0.14 0.00 -4.36 0.17 -4.72 121.20 111.42 1x60 s ILE 74 Ca 0.41 -1.26 -0.06 0.00 -0.26 0.00 0.00 60.65 59.49 1x60 s ILE 74 Cb -0.18 -0.87 -0.04 0.00 1.25 0.00 0.00 42.46 42.62 1x60 s ILE 74 CO 0.22 -0.42 0.07 -0.69 0.24 0.00 0.00 174.94 174.36 1x60 s VAL 75 N -1.67 4.85 -0.00 8.37 1.01 -1.26 0.64 120.40 132.33 1x60 s VAL 75 Ca -0.05 -0.03 0.01 0.00 0.00 0.00 0.00 61.98 61.91 1x60 s VAL 75 Cb -0.08 -3.12 -0.00 0.00 0.00 0.00 0.00 36.38 33.18 1x60 s VAL 75 CO 0.00 0.55 -0.02 -0.51 0.00 0.00 0.00 175.10 175.12 1x60 s ILE 76 N -0.40 0.14 -0.50 2.22 2.07 -0.52 -4.99 121.20 119.22 1x60 s ILE 76 Ca 0.09 -0.11 -0.19 0.00 -1.41 0.00 0.00 60.65 59.03 1x60 s ILE 76 Cb -0.12 -0.13 0.05 0.00 0.13 0.00 0.00 42.46 42.39 1x60 s ILE 76 CO 0.02 0.02 0.62 -0.22 -1.91 0.00 0.00 174.94 173.46 1x60 s LEU 77 N -0.10 4.92 -0.31 8.50 2.96 -1.25 -2.44 118.68 130.95 1x60 s LEU 77 Ca -0.00 -0.85 -0.13 0.00 -0.22 0.00 0.00 54.13 52.93 1x60 s LEU 77 Cb -0.01 -2.47 -0.03 0.00 0.50 0.00 0.00 46.19 44.18 1x60 s LEU 77 CO -0.00 -0.87 0.25 -1.61 -1.32 0.00 0.00 176.35 172.80 1x60 s GLU 78 N 2.63 3.76 0.00 1.98 0.41 0.47 -4.74 118.70 123.21 1x60 s GLU 78 Ca 0.16 -0.39 0.00 0.00 -0.41 0.00 0.00 54.97 54.32 1x60 s GLU 78 Cb -0.19 -3.73 0.00 0.00 -1.78 0.00 0.00 34.13 28.44 1x60 s GLU 78 CO 0.13 -0.32 0.10 0.45 -0.49 0.00 0.00 175.26 175.12