#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x60 n LYS 2 N 0.00 -2.69 -2.89 3.23 5.02 -1.26 -4.20 118.16 115.37 1x60 n LYS 2 Ca 0.00 1.79 -0.41 0.00 -2.02 0.00 0.00 58.31 57.67 1x60 n LYS 2 Cb 0.00 -3.28 -0.04 0.00 -0.02 0.00 0.00 35.03 31.69 1x60 n LYS 2 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1x60 s LYS 3 N -2.19 4.48 -0.69 1.97 2.36 -1.26 -4.36 119.74 120.07 1x60 s LYS 3 Ca 0.00 1.13 -0.12 0.00 -2.55 0.00 0.00 55.97 54.43 1x60 s LYS 3 Cb 0.00 -3.46 0.02 0.00 -1.05 0.00 0.00 37.83 33.34 1x60 s LYS 3 CO 0.00 -0.01 0.63 -2.37 1.55 0.00 0.00 175.35 175.15 1x60 n THR 4 N 3.89 -4.66 -2.05 3.43 5.66 -1.26 -4.92 114.28 114.37 1x60 n THR 4 Ca 0.02 0.04 -0.10 0.00 -3.05 0.00 0.00 64.05 60.96 1x60 n THR 4 Cb 0.51 -3.78 0.08 0.00 -1.55 0.00 0.00 70.33 65.59 1x60 n THR 4 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1x60 n SER 5 N -1.70 3.26 -4.66 1.09 2.88 -1.26 -5.05 113.62 108.18 1x60 n SER 5 Ca -0.20 -3.43 -0.43 0.00 -1.33 0.00 0.00 58.87 53.49 1x60 n SER 5 Cb 0.66 -0.41 -0.02 0.00 -0.75 0.00 0.00 64.21 63.69 1x60 n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x60 s SER 6 N -3.40 6.98 0.89 -3.46 0.01 -1.26 -5.03 113.70 108.43 1x60 s SER 6 Ca 0.43 1.68 0.00 0.00 1.31 0.00 0.00 55.95 59.37 1x60 s SER 6 Cb 0.38 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 64.07 1x60 s SER 6 CO -0.02 -0.72 0.00 -1.54 0.41 0.00 0.00 173.24 171.37 1x60 n SER 7 N 6.34 -0.80 0.00 2.44 3.41 -1.26 -5.03 113.62 118.73 1x60 n SER 7 Ca 0.13 -0.49 0.00 0.00 -0.26 0.00 0.00 58.87 58.25 1x60 n SER 7 Cb 0.45 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.40 1x60 n SER 7 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x60 n GLY 8 N 2.76 2.74 3.00 5.00 0.00 -1.26 -4.75 105.19 112.69 1x60 n GLY 8 Ca 0.00 -1.81 -0.12 0.00 0.00 0.00 0.00 46.02 44.09 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 1.45 -0.45 0.99 1.43 0.28 -4.88 118.68 117.50 1x60 s LEU 9 Ca 0.00 0.26 -0.14 0.00 -1.03 0.00 0.00 54.13 53.22 1x60 s LEU 9 Cb 0.00 0.43 0.06 0.00 0.03 0.00 0.00 46.19 46.71 1x60 s LEU 9 CO 0.00 -0.05 0.35 -0.31 0.23 0.00 0.00 176.35 176.57 1x60 s TYR 10 N 0.16 3.26 0.14 0.29 2.02 -0.80 -1.44 117.35 120.98 1x60 s TYR 10 Ca -0.01 -0.98 0.08 0.00 -0.37 0.00 0.00 57.07 55.79 1x60 s TYR 10 Cb -0.02 -3.03 -0.04 0.00 -0.40 0.00 0.00 41.96 38.48 1x60 s TYR 10 CO -0.00 -0.77 -0.19 0.15 -1.57 0.00 0.00 175.55 173.17 1x60 s LYS 11 N 1.61 1.20 -0.07 -0.62 3.01 -1.02 -1.03 119.74 122.83 1x60 s LYS 11 Ca 0.04 -1.31 -0.02 0.00 -1.01 0.00 0.00 55.97 53.67 1x60 s LYS 11 Cb -0.23 -1.31 -0.04 0.00 -1.01 0.00 0.00 37.83 35.24 1x60 s LYS 11 CO 0.06 0.28 0.04 0.08 0.51 0.00 0.00 175.35 176.32 1x60 s VAL 12 N -1.75 4.55 -0.03 3.17 1.01 -0.50 -1.31 120.40 125.53 1x60 s VAL 12 Ca 0.12 -0.25 0.02 0.00 0.00 0.00 0.00 61.98 61.86 1x60 s VAL 12 Cb -0.07 -2.97 0.01 0.00 0.00 0.00 0.00 36.38 33.35 1x60 s VAL 12 CO 0.05 0.53 -0.06 -1.58 0.00 0.00 0.00 175.10 174.05 1x60 s GLN 13 N -1.14 0.86 0.00 2.72 0.74 0.20 0.12 119.66 123.15 1x60 s GLN 13 Ca 0.16 -0.19 0.15 0.00 0.05 0.00 0.00 55.36 55.54 1x60 s GLN 13 Cb -0.12 -0.82 -0.04 0.00 1.10 0.00 0.00 33.01 33.13 1x60 s GLN 13 CO 0.06 0.00 0.79 0.44 -0.55 0.00 0.00 175.29 176.03 1x60 n ILE 14 N 3.68 0.00 0.00 -2.34 -0.00 -0.73 0.41 119.36 120.38 1x60 n ILE 14 Ca -0.22 -0.29 0.00 0.00 -0.00 0.00 0.00 62.75 62.24 1x60 n ILE 14 Cb 0.53 1.14 0.00 0.00 -0.00 0.00 0.00 39.64 41.31 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 1.18 1.09 3.28 3.28 0.00 -1.24 -4.49 105.19 108.29 1x60 n GLY 15 Ca 0.06 -1.16 -0.12 0.00 0.00 0.00 0.00 46.02 44.80 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 -2.00 -0.99 0.00 4.61 0.00 -1.26 0.11 121.76 122.24 1x60 s ALA 16 Ca 0.00 1.22 -0.10 0.00 0.00 0.00 0.00 51.96 53.08 1x60 s ALA 16 Cb 0.00 -0.72 0.01 0.00 0.00 0.00 0.00 23.12 22.41 1x60 s ALA 16 CO 0.00 -0.21 0.19 -0.06 0.00 0.00 0.00 175.76 175.68 1x60 s PHE 17 N 0.53 -0.02 -0.54 0.00 0.40 0.56 -4.90 117.98 114.01 1x60 s PHE 17 Ca -0.03 -0.04 0.14 0.00 -0.60 0.00 0.00 56.93 56.40 1x60 s PHE 17 Cb -0.04 -0.01 0.73 0.00 0.51 0.00 0.00 43.02 44.21 1x60 s PHE 17 CO -0.03 -0.33 1.43 1.17 0.70 0.00 0.00 175.22 178.16 1x60 n LYS 18 N 1.31 0.09 -4.32 0.44 4.81 -1.26 0.80 118.16 120.02 1x60 n LYS 18 Ca -0.22 0.55 -0.34 0.00 -0.87 0.00 0.00 58.31 57.44 1x60 n LYS 18 Cb 0.56 -1.77 -0.12 0.00 0.02 0.00 0.00 35.03 33.72 1x60 n LYS 18 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1x60 s VAL 19 N -3.32 4.01 0.12 3.15 1.01 -1.26 -4.60 120.40 119.52 1x60 s VAL 19 Ca -0.01 -0.31 -0.12 0.00 0.00 0.00 0.00 61.98 61.54 1x60 s VAL 19 Cb 0.05 -2.77 -0.09 0.00 0.00 0.00 0.00 36.38 33.56 1x60 s VAL 19 CO 0.15 0.48 1.40 0.50 0.00 0.00 0.00 175.10 177.63 1x60 h LYS 20 N 6.77 0.88 -0.74 2.72 3.64 -1.95 -2.39 116.57 125.50 1x60 h LYS 20 Ca -0.32 -0.56 0.16 0.00 -1.27 0.00 0.00 60.65 58.65 1x60 h LYS 20 Cb 1.19 0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 33.03 1x60 h LYS 20 CO 0.64 1.20 0.50 0.00 -2.27 0.00 0.00 179.45 179.51 1x60 h ALA 21 N 0.67 2.19 0.01 5.00 0.00 -1.96 0.70 119.26 125.87 1x60 h ALA 21 Ca 0.01 -0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.72 1x60 h ALA 21 Cb 1.17 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1x60 h ALA 21 CO 0.12 -0.39 -0.88 -0.91 0.00 0.00 0.00 179.25 177.19 1x60 h ASN 22 N 0.35 0.18 1.36 0.00 4.21 -1.91 -2.62 115.58 117.16 1x60 h ASN 22 Ca 0.36 -0.15 -0.01 0.00 1.21 0.00 0.00 56.30 57.71 1x60 h ASN 22 Cb 0.91 -0.06 -0.00 0.00 -1.12 0.00 0.00 38.32 38.05 1x60 h ASN 22 CO -0.10 0.97 -0.04 0.00 -1.29 0.00 0.00 177.43 176.97 1x60 h ALA 23 N 1.01 0.99 0.18 -0.83 0.00 0.71 -2.55 119.26 118.77 1x60 h ALA 23 Ca -0.04 -0.04 -0.33 0.00 0.00 0.00 0.00 54.91 54.50 1x60 h ALA 23 Cb 1.52 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.31 1x60 h ALA 23 CO 0.13 0.05 -1.62 0.22 0.00 0.00 0.00 179.25 178.03 1x60 h ASP 24 N 0.00 0.59 -0.24 0.00 3.58 -0.27 -2.70 116.42 117.37 1x60 h ASP 24 Ca -0.00 -0.79 -0.10 0.00 0.42 0.00 0.00 57.03 56.55 1x60 h ASP 24 Cb 0.73 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 41.58 1x60 h ASP 24 CO 0.01 1.66 -0.20 -1.28 -2.88 0.00 0.00 179.24 176.54 1x60 h SER 25 N 0.10 0.70 0.10 2.28 0.87 -1.43 -1.65 113.55 114.53 1x60 h SER 25 Ca -0.29 -0.24 -0.01 0.00 -1.23 0.00 0.00 61.79 60.02 1x60 h SER 25 Cb 2.09 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 63.85 1x60 h SER 25 CO 0.19 0.90 -0.05 0.25 -0.53 0.00 0.00 176.83 177.59 1x60 h LEU 26 N 0.62 -0.12 -2.44 2.23 5.85 -1.56 -2.43 115.31 117.47 1x60 h LEU 26 Ca 0.09 -0.30 0.02 0.00 0.84 0.00 0.00 57.88 58.53 1x60 h LEU 26 Cb 0.68 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.74 1x60 h LEU 26 CO 0.05 0.25 0.09 0.00 -0.34 0.00 0.00 178.44 178.48 1x60 h ALA 27 N 0.35 1.54 -0.21 1.25 0.00 -1.41 -0.74 119.26 120.03 1x60 h ALA 27 Ca -0.01 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.73 1x60 h ALA 27 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1x60 h ALA 27 CO 0.02 -0.12 -0.51 0.77 0.00 0.00 0.00 179.25 179.41 1x60 h SER 28 N 0.00 0.82 -0.33 0.00 0.02 -0.95 -2.54 113.55 110.57 1x60 h SER 28 Ca 0.03 -0.57 0.01 0.00 -0.84 0.00 0.00 61.79 60.43 1x60 h SER 28 Cb 0.20 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.48 1x60 h SER 28 CO -0.00 1.24 0.19 -0.55 -1.14 0.00 0.00 176.83 176.56 1x60 h ASN 29 N 0.44 0.30 -0.89 3.07 7.08 -0.66 -2.22 115.58 122.70 1x60 h ASN 29 Ca -0.00 0.00 -0.00 0.00 -3.08 0.00 0.00 56.30 53.22 1x60 h ASN 29 Cb 1.13 -0.06 -0.04 0.00 -2.08 0.00 0.00 38.32 37.26 1x60 h ASN 29 CO 0.11 0.22 0.55 0.00 -2.08 0.00 0.00 177.43 176.23 1x60 h ALA 30 N 1.15 1.13 -0.85 4.14 0.00 -1.53 -1.84 119.26 121.47 1x60 h ALA 30 Ca 0.13 -0.09 0.12 0.00 0.00 0.00 0.00 54.91 55.07 1x60 h ALA 30 Cb 0.01 -0.36 -0.06 0.00 0.00 0.00 0.00 17.79 17.38 1x60 h ALA 30 CO -0.06 0.58 0.55 1.49 0.00 0.00 0.00 179.25 181.81 1x60 h GLU 31 N 1.22 0.70 -0.24 0.00 4.81 -0.96 -1.34 114.58 118.77 1x60 h GLU 31 Ca 0.32 -0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.56 1x60 h GLU 31 Cb -0.07 -0.16 -0.06 0.00 0.63 0.00 0.00 28.75 29.10 1x60 h GLU 31 CO -0.06 0.46 -0.14 0.00 -0.73 0.00 0.00 179.01 178.54 1x60 h ALA 32 N 1.60 0.04 0.00 2.92 0.00 -0.87 0.27 119.26 123.21 1x60 h ALA 32 Ca 0.41 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.38 1x60 h ALA 32 Cb 0.58 0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 1x60 h ALA 32 CO -0.17 -0.56 -0.11 0.87 0.00 0.00 0.00 179.25 179.28 1x60 h LYS 33 N -0.12 0.00 0.00 0.00 1.79 -1.29 -3.46 116.57 113.49 1x60 h LYS 33 Ca 0.13 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.60 1x60 h LYS 33 Cb 0.32 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.97 1x60 h LYS 33 CO -0.31 0.11 0.00 0.41 -1.08 0.00 0.00 179.45 178.57 1x60 n GLY 34 N -1.13 1.76 3.94 3.86 0.00 0.94 -5.13 105.19 109.44 1x60 n GLY 34 Ca -0.03 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.75 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 3.44 -0.87 1.61 0.08 -0.87 -4.98 117.98 114.40 1x60 s PHE 35 Ca 0.00 0.06 -0.22 0.00 0.12 0.00 0.00 56.93 56.89 1x60 s PHE 35 Cb 0.00 -1.62 0.08 0.00 -0.57 0.00 0.00 43.02 40.91 1x60 s PHE 35 CO 0.00 0.49 1.20 0.34 -0.10 0.00 0.00 175.22 177.15 1x60 s ASP 36 N -3.49 6.42 0.56 1.36 -1.08 -1.26 -4.01 116.67 115.16 1x60 s ASP 36 Ca 0.34 -1.43 -0.14 0.00 -0.52 0.00 0.00 52.55 50.80 1x60 s ASP 36 Cb -0.10 -2.47 -0.06 0.00 -1.46 0.00 0.00 42.92 38.82 1x60 s ASP 36 CO 0.28 -1.38 1.00 -0.94 0.52 0.00 0.00 175.17 174.65 1x60 s SER 37 N 4.04 6.46 -0.23 -0.34 1.04 -1.26 -2.06 113.70 121.35 1x60 s SER 37 Ca 0.34 1.50 -0.21 0.00 0.48 0.00 0.00 55.95 58.06 1x60 s SER 37 Cb -0.07 -2.49 0.06 0.00 0.10 0.00 0.00 66.02 63.63 1x60 s SER 37 CO -0.02 -0.70 0.61 -0.51 0.98 0.00 0.00 173.24 173.61 1x60 s ILE 38 N -2.85 -0.00 -0.30 -1.02 2.07 0.72 -4.95 121.20 114.87 1x60 s ILE 38 Ca 0.57 0.00 -0.03 0.00 -1.41 0.00 0.00 60.65 59.79 1x60 s ILE 38 Cb -0.10 -0.86 0.04 0.00 0.13 0.00 0.00 42.46 41.67 1x60 s ILE 38 CO 0.41 0.00 0.01 -0.69 -1.91 0.00 0.00 174.94 172.76 1x60 s VAL 39 N 0.43 3.13 -0.23 4.00 1.01 -1.26 -1.00 120.40 126.48 1x60 s VAL 39 Ca -0.01 -1.28 -0.07 0.00 0.00 0.00 0.00 61.98 60.62 1x60 s VAL 39 Cb -0.04 -2.77 -0.03 0.00 0.00 0.00 0.00 36.38 33.54 1x60 s VAL 39 CO -0.01 -0.08 0.07 -0.22 0.00 0.00 0.00 175.10 174.86 1x60 s LEU 40 N 1.29 3.54 -0.42 3.92 2.96 -0.73 -4.90 118.68 124.34 1x60 s LEU 40 Ca -0.04 -0.13 -0.24 0.00 -0.22 0.00 0.00 54.13 53.50 1x60 s LEU 40 Cb -0.19 -1.93 0.02 0.00 0.50 0.00 0.00 46.19 44.59 1x60 s LEU 40 CO -0.01 0.03 0.84 -0.22 -1.32 0.00 0.00 176.35 175.67 1x60 s LEU 41 N 1.25 4.12 0.50 -0.68 2.96 -1.26 -1.21 118.68 124.36 1x60 s LEU 41 Ca 0.05 0.15 -0.00 0.00 -0.22 0.00 0.00 54.13 54.10 1x60 s LEU 41 Cb -0.15 -3.08 0.01 0.00 0.50 0.00 0.00 46.19 43.48 1x60 s LEU 41 CO 0.03 -0.90 0.73 -1.59 -1.32 0.00 0.00 176.35 173.30 1x60 s LYS 42 N 3.39 2.88 0.00 1.98 0.00 0.31 -4.91 119.74 123.39 1x60 s LYS 42 Ca 0.33 -0.52 -0.20 0.00 0.00 0.00 0.00 55.97 55.58 1x60 s LYS 42 Cb -0.12 -2.50 -0.25 0.00 0.00 0.00 0.00 37.83 34.96 1x60 s LYS 42 CO 0.22 -0.46 1.32 -3.47 0.00 0.00 0.00 175.35 172.96 1x60 n ASP 43 N -2.22 0.58 0.00 0.03 2.03 -1.26 -2.07 116.55 113.64 1x60 n ASP 43 Ca 0.04 -2.17 0.00 0.00 0.52 0.00 0.00 54.79 53.18 1x60 n ASP 43 Cb 0.58 -0.45 0.00 0.00 -0.72 0.00 0.00 41.12 40.54 1x60 n ASP 43 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1x60 n GLY 44 N 4.58 1.33 3.25 0.27 0.00 -1.26 -5.13 105.19 108.23 1x60 n GLY 44 Ca 0.31 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.23 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 1.30 -0.06 0.99 1.43 -0.88 -4.62 118.68 116.84 1x60 s LEU 45 Ca 0.00 -1.10 0.04 0.00 -1.03 0.00 0.00 54.13 52.03 1x60 s LEU 45 Cb 0.00 0.71 -0.02 0.00 0.03 0.00 0.00 46.19 46.91 1x60 s LEU 45 CO 0.00 -0.83 -0.15 -0.31 0.23 0.00 0.00 176.35 175.29 1x60 s TYR 46 N -4.04 2.68 0.23 0.29 1.51 0.24 0.11 117.35 118.37 1x60 s TYR 46 Ca 0.24 -0.25 0.11 0.00 -1.01 0.00 0.00 57.07 56.16 1x60 s TYR 46 Cb 0.05 -1.64 -0.05 0.00 -0.11 0.00 0.00 41.96 40.22 1x60 s TYR 46 CO 0.03 0.11 -0.22 0.15 -1.11 0.00 0.00 175.55 174.52 1x60 s LYS 47 N -0.59 1.57 -0.23 -0.62 3.01 -0.35 0.21 119.74 122.75 1x60 s LYS 47 Ca 0.08 -1.64 0.01 0.00 -1.01 0.00 0.00 55.97 53.42 1x60 s LYS 47 Cb -0.11 -1.76 0.06 0.00 -1.01 0.00 0.00 37.83 35.01 1x60 s LYS 47 CO 0.01 0.35 -0.07 0.08 0.51 0.00 0.00 175.35 176.23 1x60 s VAL 48 N -2.13 1.63 -0.05 3.17 1.01 0.12 -1.77 120.40 122.38 1x60 s VAL 48 Ca 0.25 -1.23 0.01 0.00 0.00 0.00 0.00 61.98 61.01 1x60 s VAL 48 Cb -0.06 -1.84 -0.03 0.00 0.00 0.00 0.00 36.38 34.45 1x60 s VAL 48 CO 0.12 -0.03 -0.06 -1.58 0.00 0.00 0.00 175.10 173.54 1x60 s GLN 49 N 1.36 2.72 -0.06 2.72 0.74 -0.17 -1.76 119.66 125.20 1x60 s GLN 49 Ca -0.05 -0.58 -0.01 0.00 0.05 0.00 0.00 55.36 54.77 1x60 s GLN 49 Cb -0.18 -2.59 0.03 0.00 1.10 0.00 0.00 33.01 31.37 1x60 s GLN 49 CO -0.06 0.65 -0.01 0.96 -0.55 0.00 0.00 175.29 176.28 1x60 s ILE 50 N -0.86 0.43 0.00 -2.34 -5.25 0.32 -0.20 121.20 113.30 1x60 s ILE 50 Ca 0.14 0.04 0.00 0.00 -0.99 0.00 0.00 60.65 59.84 1x60 s ILE 50 Cb -0.11 -0.55 0.00 0.00 2.95 0.00 0.00 42.46 44.75 1x60 s ILE 50 CO 0.03 0.25 0.00 0.61 -1.79 0.00 0.00 174.94 174.04 1x60 n GLY 51 N 4.79 -2.92 3.10 6.27 0.00 -0.87 -3.15 105.19 112.41 1x60 n GLY 51 Ca -0.13 -0.40 -0.31 0.00 0.00 0.00 0.00 46.02 45.18 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 2.04 0.21 4.61 0.00 -1.26 -1.41 121.76 125.96 1x60 s ALA 52 Ca 0.00 -0.99 -0.04 0.00 0.00 0.00 0.00 51.96 50.94 1x60 s ALA 52 Cb 0.00 -1.00 -0.03 0.00 0.00 0.00 0.00 23.12 22.09 1x60 s ALA 52 CO 0.00 -0.17 0.22 -0.06 0.00 0.00 0.00 175.76 175.74 1x60 s PHE 53 N 1.08 0.99 -0.64 0.00 0.40 -0.19 -5.00 117.98 114.62 1x60 s PHE 53 Ca -0.02 -1.23 0.25 0.00 -0.60 0.00 0.00 56.93 55.32 1x60 s PHE 53 Cb -0.14 -0.39 0.64 0.00 0.51 0.00 0.00 43.02 43.64 1x60 s PHE 53 CO -0.06 -0.73 1.70 0.66 0.70 0.00 0.00 175.22 177.49 1x60 h SER 54 N 2.52 0.00 -3.40 1.36 4.64 -1.95 -2.13 113.55 114.60 1x60 h SER 54 Ca -0.33 -0.01 -0.66 0.00 -0.47 0.00 0.00 61.79 60.32 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 0.48 0.00 -0.77 -0.55 -0.87 0.00 0.00 176.83 175.12 1x60 s SER 55 N -5.03 3.94 0.35 4.97 0.15 -1.26 -4.67 113.70 112.15 1x60 s SER 55 Ca 0.09 -0.33 0.05 0.00 0.70 0.00 0.00 55.95 56.46 1x60 s SER 55 Cb 0.10 -1.51 0.70 0.00 -1.71 0.00 0.00 66.02 63.60 1x60 s SER 55 CO 0.63 0.18 1.95 0.50 1.20 0.00 0.00 173.24 177.70 1x60 h LYS 56 N 6.56 0.79 -1.28 5.44 3.64 -1.89 -1.71 116.57 128.12 1x60 h LYS 56 Ca -0.27 -0.05 0.37 0.00 -1.27 0.00 0.00 60.65 59.43 1x60 h LYS 56 Cb 1.21 -0.18 -0.07 0.00 -0.41 0.00 0.00 32.23 32.78 1x60 h LYS 56 CO 0.54 0.52 0.89 0.22 -2.27 0.00 0.00 179.45 179.35 1x60 h ASP 57 N 0.81 0.13 -0.02 4.20 1.82 -1.98 0.35 116.42 121.74 1x60 h ASP 57 Ca 0.33 0.04 -0.03 0.00 -0.39 0.00 0.00 57.03 56.97 1x60 h ASP 57 Cb 0.25 0.02 0.00 0.00 0.68 0.00 0.00 39.33 40.28 1x60 h ASP 57 CO -0.11 -0.01 -0.11 0.78 -1.61 0.00 0.00 179.24 178.19 1x60 h ASN 58 N 0.10 0.12 -0.45 2.28 4.21 -1.69 -2.68 115.58 117.47 1x60 h ASN 58 Ca 0.66 -0.68 0.01 0.00 1.21 0.00 0.00 56.30 57.49 1x60 h ASN 58 Cb 2.35 -0.04 -0.02 0.00 -1.12 0.00 0.00 38.32 39.49 1x60 h ASN 58 CO -0.12 0.79 0.29 0.00 -1.29 0.00 0.00 177.43 177.10 1x60 h ALA 59 N 0.34 0.57 0.25 -0.83 0.00 -0.50 -1.04 119.26 118.04 1x60 h ALA 59 Ca -0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1x60 h ALA 59 Cb 0.79 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 1x60 h ALA 59 CO 0.02 0.01 -0.16 -0.44 0.00 0.00 0.00 179.25 178.68 1x60 h ASP 60 N 0.59 -0.40 -0.51 0.00 3.32 -0.83 0.29 116.42 118.89 1x60 h ASP 60 Ca 0.17 0.03 0.03 0.00 0.02 0.00 0.00 57.03 57.28 1x60 h ASP 60 Cb -0.05 0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.59 1x60 h ASP 60 CO -0.04 -0.26 0.34 0.00 -1.72 0.00 0.00 179.24 177.55 1x60 h THR 61 N -0.40 1.05 0.15 0.35 1.03 -1.35 -0.91 112.91 112.83 1x60 h THR 61 Ca -0.02 -0.19 -0.01 0.00 -0.01 0.00 0.00 66.41 66.17 1x60 h THR 61 Cb 0.34 0.43 0.00 0.00 -1.07 0.00 0.00 68.15 67.85 1x60 h THR 61 CO 0.02 0.10 -0.07 0.25 -0.01 0.00 0.00 175.52 175.81 1x60 h LEU 62 N 0.57 -0.17 0.28 0.00 7.12 -0.72 -2.43 115.31 119.96 1x60 h LEU 62 Ca 0.20 -0.34 0.00 0.00 0.13 0.00 0.00 57.88 57.88 1x60 h LEU 62 Cb 0.11 0.04 -0.04 0.00 -0.53 0.00 0.00 40.66 40.25 1x60 h LEU 62 CO -0.05 0.30 -0.45 0.00 -0.13 0.00 0.00 178.44 178.10 1x60 h ALA 63 N 0.01 -0.91 -0.92 1.25 0.00 -0.04 0.12 119.26 118.76 1x60 h ALA 63 Ca -0.02 -0.12 0.17 0.00 0.00 0.00 0.00 54.91 54.93 1x60 h ALA 63 Cb 0.50 0.71 -0.08 0.00 0.00 0.00 0.00 17.79 18.93 1x60 h ALA 63 CO 0.03 -1.07 0.59 0.00 0.00 0.00 0.00 179.25 178.81 1x60 h ALA 64 N -0.47 1.89 -0.68 0.00 0.00 -1.28 0.31 119.26 119.03 1x60 h ALA 64 Ca -0.02 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1x60 h ALA 64 Cb 0.76 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 1x60 h ALA 64 CO -0.16 -0.17 0.18 -0.09 0.00 0.00 0.00 179.25 179.01 1x60 h ARG 65 N 0.65 1.06 -0.72 0.00 2.43 -0.75 -0.55 114.38 116.49 1x60 h ARG 65 Ca 0.48 -0.23 -0.06 0.00 -0.81 0.00 0.00 59.98 59.36 1x60 h ARG 65 Cb 0.87 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 30.24 1x60 h ARG 65 CO -0.24 0.92 0.22 0.00 -1.51 0.00 0.00 179.97 179.37 1x60 h ALA 66 N 1.18 0.94 -0.35 2.80 0.00 0.22 0.85 119.26 124.90 1x60 h ALA 66 Ca 0.22 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1x60 h ALA 66 Cb 0.33 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1x60 h ALA 66 CO -0.00 0.63 0.18 0.87 0.00 0.00 0.00 179.25 180.93 1x60 h LYS 67 N 1.07 0.50 0.00 0.00 1.57 0.12 1.29 116.57 121.12 1x60 h LYS 67 Ca 0.23 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.89 1x60 h LYS 67 Cb 0.31 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 1x60 h LYS 67 CO -0.01 0.43 -0.28 -0.97 -0.57 0.00 0.00 179.45 178.05 1x60 h ASN 68 N 0.44 0.00 1.46 0.86 -0.73 -0.71 -2.55 115.58 114.35 1x60 h ASN 68 Ca 0.12 0.00 -0.05 0.00 1.87 0.00 0.00 56.30 58.24 1x60 h ASN 68 Cb 0.09 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.67 1x60 h ASN 68 CO -0.02 0.28 -0.25 0.00 -0.37 0.00 0.00 177.43 177.07 1x60 h ALA 69 N 1.72 0.88 0.00 1.57 0.00 0.18 -3.47 119.26 120.14 1x60 h ALA 69 Ca -0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1x60 h ALA 69 Cb 0.73 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1x60 h ALA 69 CO 0.04 0.32 0.00 0.41 0.00 0.00 0.00 179.25 180.01 1x60 n GLY 70 N 0.84 1.76 3.14 0.00 0.00 0.51 -5.04 105.19 106.39 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 1.14 -1.21 1.61 0.08 0.42 -4.98 117.98 113.03 1x60 s PHE 71 Ca 0.00 -0.42 -0.10 0.00 0.12 0.00 0.00 56.93 56.54 1x60 s PHE 71 Cb 0.00 -0.66 0.20 0.00 -0.57 0.00 0.00 43.02 42.00 1x60 s PHE 71 CO 0.00 0.03 1.62 -3.47 -0.10 0.00 0.00 175.22 173.30 1x60 n ASP 72 N 1.56 5.40 -4.80 1.36 -0.08 -1.26 -1.38 116.55 117.34 1x60 n ASP 72 Ca -0.20 -3.12 -0.37 0.00 -1.51 0.00 0.00 54.79 49.58 1x60 n ASP 72 Cb 0.54 -1.46 -0.06 0.00 2.34 0.00 0.00 41.12 42.49 1x60 n ASP 72 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1x60 s ALA 73 N -0.01 3.42 0.07 -1.67 0.00 -1.26 -4.08 121.76 118.23 1x60 s ALA 73 Ca 0.38 0.25 0.03 0.00 0.00 0.00 0.00 51.96 52.62 1x60 s ALA 73 Cb 0.04 -2.88 -0.03 0.00 0.00 0.00 0.00 23.12 20.25 1x60 s ALA 73 CO 0.01 0.31 -0.09 0.96 0.00 0.00 0.00 175.76 176.96 1x60 s ILE 74 N -1.39 0.73 -0.14 0.00 -4.36 0.17 -4.66 121.20 111.54 1x60 s ILE 74 Ca 0.40 -1.39 -0.06 0.00 -0.26 0.00 0.00 60.65 59.35 1x60 s ILE 74 Cb -0.19 -1.03 -0.04 0.00 1.25 0.00 0.00 42.46 42.45 1x60 s ILE 74 CO 0.23 -0.49 0.06 -0.69 0.24 0.00 0.00 174.94 174.29 1x60 s VAL 75 N -2.02 4.82 -0.02 8.37 1.01 -1.26 0.59 120.40 131.89 1x60 s VAL 75 Ca -0.02 -0.04 0.02 0.00 0.00 0.00 0.00 61.98 61.94 1x60 s VAL 75 Cb -0.06 -3.11 0.01 0.00 0.00 0.00 0.00 36.38 33.22 1x60 s VAL 75 CO -0.00 0.54 -0.05 -0.51 0.00 0.00 0.00 175.10 175.08 1x60 s ILE 76 N -0.35 0.50 -0.49 2.22 2.07 -0.43 -4.99 121.20 119.74 1x60 s ILE 76 Ca 0.09 -0.20 -0.16 0.00 -1.41 0.00 0.00 60.65 58.97 1x60 s ILE 76 Cb -0.12 -0.47 0.08 0.00 0.13 0.00 0.00 42.46 42.09 1x60 s ILE 76 CO 0.02 0.17 0.43 -0.22 -1.91 0.00 0.00 174.94 173.43 1x60 s LEU 77 N 0.29 5.71 -0.18 8.50 2.96 -1.25 -2.43 118.68 132.28 1x60 s LEU 77 Ca -0.03 -1.40 -0.10 0.00 -0.22 0.00 0.00 54.13 52.38 1x60 s LEU 77 Cb -0.08 -2.20 -0.05 0.00 0.50 0.00 0.00 46.19 44.37 1x60 s LEU 77 CO -0.00 -0.70 0.14 -1.61 -1.32 0.00 0.00 176.35 172.86 1x60 s GLU 78 N 1.68 4.04 0.00 1.98 2.02 -0.52 -4.76 118.70 123.14 1x60 s GLU 78 Ca 0.04 -0.19 0.00 0.00 0.02 0.00 0.00 54.97 54.84 1x60 s GLU 78 Cb -0.25 -3.37 0.00 0.00 0.10 0.00 0.00 34.13 30.60 1x60 s GLU 78 CO 0.06 0.39 0.40 -1.13 0.02 0.00 0.00 175.26 175.00