#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 0.46 -4.53 3.23 5.02 -1.26 -5.02 118.16 116.07 1x60 n LYS 2 Ca 0.00 0.53 -0.25 0.00 -2.02 0.00 0.00 58.31 56.57 1x60 n LYS 2 Cb 0.00 -1.70 -0.10 0.00 -0.02 0.00 0.00 35.03 33.21 1x60 n LYS 2 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1x60 s LYS 3 N -2.25 1.77 0.49 1.97 1.02 -1.26 -5.16 119.74 116.32 1x60 s LYS 3 Ca -0.16 -1.92 0.05 0.00 0.02 0.00 0.00 55.97 53.97 1x60 s LYS 3 Cb 0.02 -1.58 -0.00 0.00 -0.52 0.00 0.00 37.83 35.74 1x60 s LYS 3 CO 0.24 0.11 0.26 0.95 -0.92 0.00 0.00 175.35 175.99 1x60 s THR 4 N -2.70 1.84 -0.25 2.17 -4.23 -1.26 -5.14 115.64 106.07 1x60 s THR 4 Ca 0.32 -1.64 -0.02 0.00 -1.18 0.00 0.00 61.69 59.17 1x60 s THR 4 Cb 0.03 -2.47 0.13 0.00 1.34 0.00 0.00 72.50 71.52 1x60 s THR 4 CO 0.16 0.00 0.32 -0.55 -0.54 0.00 0.00 174.62 174.01 1x60 s SER 5 N -4.08 0.86 -0.09 3.99 0.15 -1.26 -5.00 113.70 108.27 1x60 s SER 5 Ca 0.32 -0.16 0.13 0.00 0.70 0.00 0.00 55.95 56.94 1x60 s SER 5 Cb 0.00 0.79 0.26 0.00 -1.71 0.00 0.00 66.02 65.36 1x60 s SER 5 CO 0.19 -0.33 1.13 -1.20 1.20 0.00 0.00 173.24 174.22 1x60 n SER 6 N 5.34 1.39 -1.02 5.45 7.64 -1.26 -5.13 113.62 126.04 1x60 n SER 6 Ca -0.03 -2.81 0.13 0.00 1.01 0.00 0.00 58.87 57.17 1x60 n SER 6 Cb 0.49 -0.37 -0.03 0.00 -1.01 0.00 0.00 64.21 63.29 1x60 n SER 6 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1x60 n SER 7 N -0.71 -6.06 0.00 6.43 7.64 -1.26 -4.99 113.62 114.67 1x60 n SER 7 Ca 0.11 1.02 0.00 0.00 1.01 0.00 0.00 58.87 61.01 1x60 n SER 7 Cb 0.74 -3.00 0.00 0.00 -1.01 0.00 0.00 64.21 60.93 1x60 n SER 7 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x60 n GLY 8 N -2.91 4.81 3.02 0.23 0.00 -1.26 -4.65 105.19 104.44 1x60 n GLY 8 Ca 0.01 -1.68 -0.12 0.00 0.00 0.00 0.00 46.02 44.22 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 1.41 -0.44 0.99 1.43 0.15 -4.89 118.68 117.33 1x60 s LEU 9 Ca 0.00 0.30 -0.14 0.00 -1.03 0.00 0.00 54.13 53.26 1x60 s LEU 9 Cb 0.00 0.51 0.06 0.00 0.03 0.00 0.00 46.19 46.78 1x60 s LEU 9 CO 0.00 -0.05 0.34 -0.31 0.23 0.00 0.00 176.35 176.56 1x60 s TYR 10 N 0.11 3.25 0.16 0.29 2.02 -0.81 -1.89 117.35 120.48 1x60 s TYR 10 Ca -0.00 -0.91 0.08 0.00 -0.37 0.00 0.00 57.07 55.86 1x60 s TYR 10 Cb -0.01 -2.95 -0.04 0.00 -0.40 0.00 0.00 41.96 38.56 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 1.62 1.21 -0.10 -0.62 1.02 -1.02 -0.93 119.74 120.93 1x60 s LYS 11 Ca 0.04 -1.39 -0.02 0.00 0.02 0.00 0.00 55.97 54.62 1x60 s LYS 11 Cb -0.22 -1.18 -0.03 0.00 -0.52 0.00 0.00 37.83 35.88 1x60 s LYS 11 CO 0.07 0.23 -0.01 0.08 -0.92 0.00 0.00 175.35 174.80 1x60 s VAL 12 N -2.23 4.17 -0.03 3.17 1.01 0.11 -1.25 120.40 125.35 1x60 s VAL 12 Ca 0.15 -0.29 0.03 0.00 0.00 0.00 0.00 61.98 61.86 1x60 s VAL 12 Cb -0.05 -2.76 0.00 0.00 0.00 0.00 0.00 36.38 33.58 1x60 s VAL 12 CO 0.06 0.58 -0.11 -1.58 0.00 0.00 0.00 175.10 174.05 1x60 s GLN 13 N -0.66 1.22 0.00 2.72 0.74 0.21 0.13 119.66 124.02 1x60 s GLN 13 Ca 0.10 -0.38 0.14 0.00 0.05 0.00 0.00 55.36 55.28 1x60 s GLN 13 Cb -0.12 -1.10 -0.02 0.00 1.10 0.00 0.00 33.01 32.88 1x60 s GLN 13 CO 0.02 0.13 0.77 0.44 -0.55 0.00 0.00 175.29 176.10 1x60 n ILE 14 N 3.33 0.00 0.00 -2.34 -0.00 -0.82 0.40 119.36 119.93 1x60 n ILE 14 Ca -0.19 -0.33 0.00 0.00 -0.00 0.00 0.00 62.75 62.23 1x60 n ILE 14 Cb 0.54 1.15 0.00 0.00 -0.00 0.00 0.00 39.64 41.33 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 1.10 1.51 3.27 3.28 0.00 -1.23 -4.52 105.19 108.61 1x60 n GLY 15 Ca 0.06 -1.09 -0.13 0.00 0.00 0.00 0.00 46.02 44.85 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 -0.94 -0.02 4.61 0.00 -1.26 0.27 121.76 122.42 1x60 s ALA 16 Ca 0.00 1.02 -0.15 0.00 0.00 0.00 0.00 51.96 52.82 1x60 s ALA 16 Cb 0.00 -0.56 0.02 0.00 0.00 0.00 0.00 23.12 22.58 1x60 s ALA 16 CO 0.00 -0.19 0.32 -0.06 0.00 0.00 0.00 175.76 175.83 1x60 s PHE 17 N 0.06 -0.20 -0.10 0.00 0.40 0.39 -4.90 117.98 113.63 1x60 s PHE 17 Ca -0.01 0.31 0.24 0.00 -0.60 0.00 0.00 56.93 56.87 1x60 s PHE 17 Cb -0.03 0.11 1.32 0.00 0.51 0.00 0.00 43.02 44.93 1x60 s PHE 17 CO 0.01 -0.39 1.75 1.57 0.70 0.00 0.00 175.22 178.86 1x60 h LYS 18 N 3.90 0.00 -5.24 0.44 2.10 -1.82 0.59 116.57 116.54 1x60 h LYS 18 Ca -0.29 0.00 -0.62 0.00 -2.00 0.00 0.00 60.65 57.73 1x60 h LYS 18 Cb 1.18 0.00 -0.18 0.00 -0.90 0.00 0.00 32.23 32.33 1x60 h LYS 18 CO 0.40 0.00 -0.59 0.08 -2.00 0.00 0.00 179.45 177.34 1x60 s VAL 19 N -3.62 4.57 0.14 0.07 1.01 -1.26 -4.61 120.40 116.70 1x60 s VAL 19 Ca -0.03 -0.11 -0.09 0.00 0.00 0.00 0.00 61.98 61.75 1x60 s VAL 19 Cb 0.07 -3.06 -0.10 0.00 0.00 0.00 0.00 36.38 33.29 1x60 s VAL 19 CO 0.22 0.45 1.41 0.50 0.00 0.00 0.00 175.10 177.68 1x60 h LYS 20 N 6.89 0.77 -0.50 2.72 3.11 -1.95 -2.19 116.57 125.43 1x60 h LYS 20 Ca -0.36 -0.53 0.09 0.00 -2.81 0.00 0.00 60.65 57.05 1x60 h LYS 20 Cb 1.17 0.08 -0.03 0.00 -1.00 0.00 0.00 32.23 32.45 1x60 h LYS 20 CO 0.67 1.15 0.34 0.00 -2.81 0.00 0.00 179.45 178.80 1x60 h ALA 21 N 0.73 2.11 0.04 5.00 0.00 -1.96 0.41 119.26 125.59 1x60 h ALA 21 Ca -0.00 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.67 1x60 h ALA 21 Cb 1.21 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 1x60 h ALA 21 CO 0.13 -0.22 -1.02 -0.91 0.00 0.00 0.00 179.25 177.22 1x60 h ASN 22 N 0.27 0.35 1.03 0.00 4.21 -1.91 -2.60 115.58 116.93 1x60 h ASN 22 Ca 0.23 -0.32 -0.03 0.00 1.21 0.00 0.00 56.30 57.39 1x60 h ASN 22 Cb 0.55 -0.11 -0.00 0.00 -1.12 0.00 0.00 38.32 37.64 1x60 h ASN 22 CO -0.05 1.17 -0.15 0.00 -1.29 0.00 0.00 177.43 177.11 1x60 h ALA 23 N 0.80 1.01 0.21 -0.83 0.00 0.10 -2.60 119.26 117.94 1x60 h ALA 23 Ca -0.08 -0.13 -0.33 0.00 0.00 0.00 0.00 54.91 54.37 1x60 h ALA 23 Cb 1.70 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 19.49 1x60 h ALA 23 CO 0.16 0.18 -1.52 0.22 0.00 0.00 0.00 179.25 178.30 1x60 h ASP 24 N 0.00 0.70 -0.52 0.00 1.82 -0.29 -2.64 116.42 115.48 1x60 h ASP 24 Ca -0.00 -0.82 -0.06 0.00 -0.39 0.00 0.00 57.03 55.77 1x60 h ASP 24 Cb 0.70 -0.23 -0.03 0.00 0.68 0.00 0.00 39.33 40.46 1x60 h ASP 24 CO 0.02 1.66 0.13 -1.28 -1.61 0.00 0.00 179.24 178.16 1x60 h SER 25 N 0.12 0.83 -0.19 2.28 0.87 -1.36 -1.84 113.55 114.26 1x60 h SER 25 Ca -0.26 -0.16 -0.05 0.00 -1.23 0.00 0.00 61.79 60.10 1x60 h SER 25 Cb 2.12 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 63.85 1x60 h SER 25 CO 0.23 0.81 -0.06 0.25 -0.53 0.00 0.00 176.83 177.54 1x60 h LEU 26 N 0.85 0.38 -2.34 2.23 5.85 -1.54 -2.38 115.31 118.37 1x60 h LEU 26 Ca 0.18 -0.38 0.01 0.00 0.84 0.00 0.00 57.88 58.54 1x60 h LEU 26 Cb 0.32 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.24 1x60 h LEU 26 CO 0.00 0.67 0.03 0.00 -0.34 0.00 0.00 178.44 178.81 1x60 h ALA 27 N 0.72 1.68 -0.06 1.25 0.00 -1.19 -1.61 119.26 120.04 1x60 h ALA 27 Ca 0.05 -0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.72 1x60 h ALA 27 Cb 0.51 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.32 1x60 h ALA 27 CO 0.02 -0.05 -0.87 0.77 0.00 0.00 0.00 179.25 179.12 1x60 h SER 28 N 0.00 0.88 -0.16 0.00 0.02 -0.98 -2.53 113.55 110.78 1x60 h SER 28 Ca 0.02 -0.69 0.00 0.00 -0.84 0.00 0.00 61.79 60.28 1x60 h SER 28 Cb 0.08 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.35 1x60 h SER 28 CO -0.00 1.45 0.09 -0.55 -1.14 0.00 0.00 176.83 176.68 1x60 h ASN 29 N 0.39 0.15 -0.68 3.07 -1.07 -0.80 -2.23 115.58 114.42 1x60 h ASN 29 Ca -0.09 -0.00 -0.03 0.00 0.07 0.00 0.00 56.30 56.24 1x60 h ASN 29 Cb 1.52 -0.03 -0.03 0.00 -2.07 0.00 0.00 38.32 37.71 1x60 h ASN 29 CO 0.18 0.11 0.30 0.00 0.07 0.00 0.00 177.43 178.09 1x60 h ALA 30 N 1.07 1.21 -0.83 4.14 0.00 -1.57 -2.09 119.26 121.19 1x60 h ALA 30 Ca 0.06 -0.16 0.12 0.00 0.00 0.00 0.00 54.91 54.92 1x60 h ALA 30 Cb -0.01 -0.28 -0.06 0.00 0.00 0.00 0.00 17.79 17.44 1x60 h ALA 30 CO -0.03 0.59 0.54 1.49 0.00 0.00 0.00 179.25 181.84 1x60 h GLU 31 N 1.01 0.67 -0.31 0.00 4.81 -0.96 -1.40 114.58 118.40 1x60 h GLU 31 Ca 0.24 -0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.49 1x60 h GLU 31 Cb 0.16 -0.15 -0.06 0.00 0.63 0.00 0.00 28.75 29.33 1x60 h GLU 31 CO -0.02 0.44 -0.09 0.00 -0.73 0.00 0.00 179.01 178.60 1x60 h ALA 32 N 1.60 0.18 0.00 2.92 0.00 -0.85 0.31 119.26 123.42 1x60 h ALA 32 Ca 0.40 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.41 1x60 h ALA 32 Cb 0.59 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 1x60 h ALA 32 CO -0.16 -0.48 -0.10 0.87 0.00 0.00 0.00 179.25 179.38 1x60 h LYS 33 N -0.03 0.00 0.00 0.00 1.79 -1.33 -3.45 116.57 113.55 1x60 h LYS 33 Ca 0.15 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.62 1x60 h LYS 33 Cb 0.25 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.90 1x60 h LYS 33 CO -0.33 0.10 0.00 0.41 -1.08 0.00 0.00 179.45 178.55 1x60 n GLY 34 N -1.13 1.73 3.93 3.86 0.00 0.11 -5.13 105.19 108.57 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 3.42 -0.86 1.61 0.08 -0.97 -4.99 117.98 114.27 1x60 s PHE 35 Ca 0.00 0.05 -0.22 0.00 0.12 0.00 0.00 56.93 56.87 1x60 s PHE 35 Cb 0.00 -1.61 0.07 0.00 -0.57 0.00 0.00 43.02 40.92 1x60 s PHE 35 CO 0.00 0.49 1.22 -0.51 -0.10 0.00 0.00 175.22 176.32 1x60 s ASP 36 N -3.49 6.40 0.54 1.36 1.01 -1.26 -4.07 116.67 117.16 1x60 s ASP 36 Ca 0.34 -1.32 -0.15 0.00 0.71 0.00 0.00 52.55 52.13 1x60 s ASP 36 Cb -0.10 -2.49 -0.07 0.00 1.01 0.00 0.00 42.92 41.28 1x60 s ASP 36 CO 0.28 -1.43 0.99 -0.94 0.21 0.00 0.00 175.17 174.28 1x60 s SER 37 N 4.08 6.51 -0.20 0.27 1.04 -1.26 -2.12 113.70 122.02 1x60 s SER 37 Ca 0.35 1.51 -0.24 0.00 0.48 0.00 0.00 55.95 58.05 1x60 s SER 37 Cb -0.07 -2.49 0.06 0.00 0.10 0.00 0.00 66.02 63.62 1x60 s SER 37 CO -0.01 -0.66 0.65 -0.51 0.98 0.00 0.00 173.24 173.70 1x60 s ILE 38 N -2.77 0.00 -0.20 -1.02 2.07 0.84 -4.95 121.20 115.18 1x60 s ILE 38 Ca 0.58 -0.02 0.01 0.00 -1.41 0.00 0.00 60.65 59.81 1x60 s ILE 38 Cb -0.10 -0.92 0.03 0.00 0.13 0.00 0.00 42.46 41.60 1x60 s ILE 38 CO 0.37 -0.01 -0.18 -0.69 -1.91 0.00 0.00 174.94 172.53 1x60 s VAL 39 N -0.02 2.06 -0.08 4.00 1.01 -1.25 -0.88 120.40 125.25 1x60 s VAL 39 Ca -0.03 -1.07 0.05 0.00 0.00 0.00 0.00 61.98 60.92 1x60 s VAL 39 Cb -0.04 -1.93 -0.01 0.00 0.00 0.00 0.00 36.38 34.40 1x60 s VAL 39 CO 0.03 0.41 -0.22 -1.48 0.00 0.00 0.00 175.10 173.84 1x60 s LEU 40 N 1.26 2.24 -0.34 3.92 0.05 -0.76 -4.89 118.68 120.16 1x60 s LEU 40 Ca 0.02 -0.46 -0.18 0.00 0.05 0.00 0.00 54.13 53.56 1x60 s LEU 40 Cb -0.14 -1.43 -0.01 0.00 -2.05 0.00 0.00 46.19 42.55 1x60 s LEU 40 CO -0.11 0.23 0.50 -0.22 -0.55 0.00 0.00 176.35 176.20 1x60 s LEU 41 N -0.05 4.32 0.27 1.48 2.96 -1.26 -0.07 118.68 126.32 1x60 s LEU 41 Ca -0.06 0.02 0.06 0.00 -0.22 0.00 0.00 54.13 53.93 1x60 s LEU 41 Cb -0.15 -2.57 -0.03 0.00 0.50 0.00 0.00 46.19 43.94 1x60 s LEU 41 CO 0.05 -0.45 0.31 -1.59 -1.32 0.00 0.00 176.35 173.35 1x60 s LYS 42 N 2.36 3.14 0.00 1.98 0.00 0.27 -4.91 119.74 122.58 1x60 s LYS 42 Ca 0.18 -0.95 0.00 0.00 0.00 0.00 0.00 55.97 55.20 1x60 s LYS 42 Cb -0.16 -2.72 0.00 0.00 0.00 0.00 0.00 37.83 34.95 1x60 s LYS 42 CO 0.13 0.34 0.00 -0.25 0.00 0.00 0.00 175.35 175.56 1x60 n ASP 43 N -1.36 0.00 -1.11 0.03 9.92 -1.26 0.88 116.55 123.65 1x60 n ASP 43 Ca -0.07 0.00 0.02 0.00 -0.53 0.00 0.00 54.79 54.21 1x60 n ASP 43 Cb 0.58 0.00 0.01 0.00 -0.64 0.00 0.00 41.12 41.07 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 0.00 0.81 3.24 0.44 0.00 -1.26 -5.10 105.19 103.32 1x60 n GLY 44 Ca 0.00 -0.50 -0.16 0.00 0.00 0.00 0.00 46.02 45.36 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 2.46 -0.11 0.99 1.43 0.25 -4.57 118.68 119.13 1x60 s LEU 45 Ca 0.20 -0.89 0.00 0.00 -1.03 0.00 0.00 54.13 52.41 1x60 s LEU 45 Cb 0.23 -0.45 -0.02 0.00 0.03 0.00 0.00 46.19 45.99 1x60 s LEU 45 CO -0.10 -0.23 -0.11 -0.31 0.23 0.00 0.00 176.35 175.83 1x60 s TYR 46 N -2.63 2.83 0.07 0.29 1.51 0.21 0.96 117.35 120.59 1x60 s TYR 46 Ca 0.12 -0.44 0.03 0.00 -1.01 0.00 0.00 57.07 55.77 1x60 s TYR 46 Cb -0.02 -1.81 -0.04 0.00 -0.11 0.00 0.00 41.96 39.98 1x60 s TYR 46 CO 0.02 -0.06 0.05 0.15 -1.11 0.00 0.00 175.55 174.60 1x60 s LYS 47 N 0.05 2.79 -0.33 -0.62 3.01 0.89 0.15 119.74 125.69 1x60 s LYS 47 Ca -0.04 -0.72 0.03 0.00 -1.01 0.00 0.00 55.97 54.24 1x60 s LYS 47 Cb -0.14 -2.68 0.10 0.00 -1.01 0.00 0.00 37.83 34.10 1x60 s LYS 47 CO 0.04 0.57 0.04 0.08 0.51 0.00 0.00 175.35 176.59 1x60 s VAL 48 N -1.34 2.06 -0.05 3.17 1.01 0.14 -1.82 120.40 123.57 1x60 s VAL 48 Ca 0.27 -2.14 -0.01 0.00 0.00 0.00 0.00 61.98 60.11 1x60 s VAL 48 Cb -0.12 -2.50 -0.03 0.00 0.00 0.00 0.00 36.38 33.73 1x60 s VAL 48 CO 0.20 -0.56 0.01 -1.58 0.00 0.00 0.00 175.10 173.17 1x60 s GLN 49 N 1.03 2.94 -0.06 2.72 0.74 -0.06 -1.95 119.66 125.01 1x60 s GLN 49 Ca 0.09 -0.47 -0.00 0.00 0.05 0.00 0.00 55.36 55.03 1x60 s GLN 49 Cb -0.19 -2.77 0.03 0.00 1.10 0.00 0.00 33.01 31.18 1x60 s GLN 49 CO -0.10 0.68 -0.02 0.96 -0.55 0.00 0.00 175.29 176.26 1x60 s ILE 50 N -0.98 0.47 -0.00 -2.34 -5.25 0.36 -0.11 121.20 113.35 1x60 s ILE 50 Ca 0.16 0.01 -0.00 0.00 -0.99 0.00 0.00 60.65 59.83 1x60 s ILE 50 Cb -0.11 -0.57 0.00 0.00 2.95 0.00 0.00 42.46 44.73 1x60 s ILE 50 CO 0.06 0.25 0.00 0.61 -1.79 0.00 0.00 174.94 174.07 1x60 n GLY 51 N 4.74 -2.91 2.91 6.27 0.00 -0.90 -3.00 105.19 112.30 1x60 n GLY 51 Ca -0.14 -0.47 -0.28 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.01 1.54 0.28 4.61 0.00 -1.26 -0.71 121.76 126.21 1x60 s ALA 52 Ca -0.00 -0.86 0.02 0.00 0.00 0.00 0.00 51.96 51.12 1x60 s ALA 52 Cb 0.00 -1.13 -0.05 0.00 0.00 0.00 0.00 23.12 21.94 1x60 s ALA 52 CO 0.01 -0.76 0.10 -0.06 0.00 0.00 0.00 175.76 175.05 1x60 s PHE 53 N 1.61 1.62 -0.53 0.00 0.40 -0.10 -4.99 117.98 115.98 1x60 s PHE 53 Ca 0.01 -1.18 0.24 0.00 -0.60 0.00 0.00 56.93 55.39 1x60 s PHE 53 Cb -0.15 -0.96 0.49 0.00 0.51 0.00 0.00 43.02 42.91 1x60 s PHE 53 CO -0.08 -0.32 1.66 0.77 0.70 0.00 0.00 175.22 177.96 1x60 h SER 54 N 2.29 0.00 -3.53 1.36 0.02 -1.95 -2.15 113.55 109.59 1x60 h SER 54 Ca -0.38 0.00 -0.67 0.00 -0.84 0.00 0.00 61.79 59.91 1x60 h SER 54 Cb 1.25 0.00 -0.26 0.00 0.14 0.00 0.00 62.40 63.53 1x60 h SER 54 CO 0.60 0.00 -0.76 -0.44 -1.14 0.00 0.00 176.83 175.09 1x60 s SER 55 N -5.67 4.03 0.30 3.07 0.01 -1.26 -4.64 113.70 109.54 1x60 s SER 55 Ca 0.08 -0.28 -0.01 0.00 1.31 0.00 0.00 55.95 57.05 1x60 s SER 55 Cb 0.07 -1.38 0.49 0.00 0.21 0.00 0.00 66.02 65.41 1x60 s SER 55 CO 0.65 0.22 1.95 0.50 0.41 0.00 0.00 173.24 176.96 1x60 h LYS 56 N 6.28 1.04 -1.31 12.44 3.64 -1.89 -1.93 116.57 134.84 1x60 h LYS 56 Ca -0.32 -0.06 0.38 0.00 -1.27 0.00 0.00 60.65 59.38 1x60 h LYS 56 Cb 1.19 -0.23 -0.07 0.00 -0.41 0.00 0.00 32.23 32.71 1x60 h LYS 56 CO 0.54 0.69 0.91 0.38 -2.27 0.00 0.00 179.45 179.70 1x60 h ASP 57 N 1.07 0.13 -0.02 4.20 3.04 -1.97 0.37 116.42 123.23 1x60 h ASP 57 Ca 0.34 0.04 -0.02 0.00 -3.24 0.00 0.00 57.03 54.15 1x60 h ASP 57 Cb 0.02 0.02 0.00 0.00 -1.04 0.00 0.00 39.33 38.34 1x60 h ASP 57 CO -0.10 -0.01 -0.05 0.78 -2.04 0.00 0.00 179.24 177.81 1x60 h ASN 58 N 0.09 0.08 -0.59 4.15 2.35 -1.74 -2.69 115.58 117.23 1x60 h ASN 58 Ca 0.67 -0.62 0.04 0.00 -0.55 0.00 0.00 56.30 55.84 1x60 h ASN 58 Cb 2.42 -0.02 -0.04 0.00 0.05 0.00 0.00 38.32 40.72 1x60 h ASN 58 CO -0.13 0.69 0.34 0.00 -1.65 0.00 0.00 177.43 176.67 1x60 h ALA 59 N 0.39 0.76 0.04 -0.83 0.00 -0.42 -1.04 119.26 118.16 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 0.68 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1x60 h ALA 59 CO 0.01 0.04 -0.05 -0.44 0.00 0.00 0.00 179.25 178.81 1x60 h ASP 60 N 0.66 -0.13 -0.67 0.00 3.32 -1.04 0.29 116.42 118.85 1x60 h ASP 60 Ca 0.25 0.02 0.03 0.00 0.02 0.00 0.00 57.03 57.34 1x60 h ASP 60 Cb 0.08 0.05 -0.04 0.00 0.22 0.00 0.00 39.33 39.64 1x60 h ASP 60 CO -0.13 -0.08 0.44 0.74 -1.72 0.00 0.00 179.24 178.50 1x60 h THR 61 N -0.10 1.10 0.09 0.35 2.02 -1.19 -0.73 112.91 114.45 1x60 h THR 61 Ca 0.01 -0.28 -0.00 0.00 0.77 0.00 0.00 66.41 66.91 1x60 h THR 61 Cb 0.11 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 66.74 1x60 h THR 61 CO -0.02 0.15 -0.04 0.25 0.37 0.00 0.00 175.52 176.22 1x60 h LEU 62 N 0.81 -0.10 0.37 2.58 7.12 -0.67 -2.43 115.31 122.98 1x60 h LEU 62 Ca 0.27 -0.38 -0.00 0.00 0.13 0.00 0.00 57.88 57.89 1x60 h LEU 62 Cb 0.06 0.03 -0.03 0.00 -0.53 0.00 0.00 40.66 40.19 1x60 h LEU 62 CO -0.07 0.35 -0.49 0.00 -0.13 0.00 0.00 178.44 178.10 1x60 h ALA 63 N 0.24 -1.03 -0.91 1.25 0.00 -0.03 0.16 119.26 118.95 1x60 h ALA 63 Ca -0.01 -0.15 0.19 0.00 0.00 0.00 0.00 54.91 54.93 1x60 h ALA 63 Cb 0.48 0.74 -0.07 0.00 0.00 0.00 0.00 17.79 18.94 1x60 h ALA 63 CO 0.02 -1.13 0.59 0.00 0.00 0.00 0.00 179.25 178.74 1x60 h ALA 64 N -0.66 2.04 -0.60 0.00 0.00 -1.24 0.43 119.26 119.23 1x60 h ALA 64 Ca -0.04 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1x60 h ALA 64 Cb 0.81 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 1x60 h ALA 64 CO -0.13 -0.33 0.06 -0.09 0.00 0.00 0.00 179.25 178.76 1x60 h ARG 65 N 0.52 1.01 -0.54 0.00 2.43 -0.74 0.22 114.38 117.27 1x60 h ARG 65 Ca 0.48 -0.28 -0.07 0.00 -0.81 0.00 0.00 59.98 59.30 1x60 h ARG 65 Cb 1.02 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.44 1x60 h ARG 65 CO -0.21 0.95 0.04 0.00 -1.51 0.00 0.00 179.97 179.24 1x60 h ALA 66 N 1.12 0.72 -0.28 2.80 0.00 0.26 0.82 119.26 124.71 1x60 h ALA 66 Ca 0.18 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1x60 h ALA 66 Cb 0.46 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1x60 h ALA 66 CO 0.02 0.50 0.14 0.87 0.00 0.00 0.00 179.25 180.78 1x60 h LYS 67 N 0.80 0.39 0.00 0.00 1.57 0.29 1.28 116.57 120.90 1x60 h LYS 67 Ca 0.16 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.83 1x60 h LYS 67 Cb 0.47 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 1x60 h LYS 67 CO 0.02 0.36 -0.27 -0.97 -0.57 0.00 0.00 179.45 178.02 1x60 h ASN 68 N 0.32 0.00 1.47 0.86 -0.73 -0.74 -2.41 115.58 114.35 1x60 h ASN 68 Ca 0.10 0.00 -0.05 0.00 1.87 0.00 0.00 56.30 58.22 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 -0.01 0.27 -0.22 0.00 -0.37 0.00 0.00 177.43 177.09 1x60 h ALA 69 N 1.73 0.90 0.00 1.57 0.00 0.17 -3.47 119.26 120.16 1x60 h ALA 69 Ca -0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1x60 h ALA 69 Cb 0.67 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1x60 h ALA 69 CO 0.03 0.28 0.00 0.41 0.00 0.00 0.00 179.25 179.98 1x60 n GLY 70 N 0.80 1.75 3.14 0.00 0.00 0.40 -5.04 105.19 106.25 1x60 n GLY 70 Ca 0.02 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.87 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 1.08 -1.20 1.61 0.08 0.41 -4.98 117.98 112.98 1x60 s PHE 71 Ca 0.00 -0.43 -0.10 0.00 0.12 0.00 0.00 56.93 56.52 1x60 s PHE 71 Cb 0.00 -0.62 0.21 0.00 -0.57 0.00 0.00 43.02 42.03 1x60 s PHE 71 CO 0.00 0.02 1.54 -3.47 -0.10 0.00 0.00 175.22 173.21 1x60 n ASP 72 N 1.51 5.39 -4.80 1.36 -0.08 -1.26 -1.37 116.55 117.29 1x60 n ASP 72 Ca -0.21 -3.09 -0.38 0.00 -1.51 0.00 0.00 54.79 49.60 1x60 n ASP 72 Cb 0.54 -1.47 -0.06 0.00 2.34 0.00 0.00 41.12 42.47 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 0.15 3.49 0.06 -1.67 0.00 -1.26 -4.06 121.76 118.48 1x60 s ALA 73 Ca 0.38 0.18 0.03 0.00 0.00 0.00 0.00 51.96 52.56 1x60 s ALA 73 Cb 0.01 -2.79 -0.03 0.00 0.00 0.00 0.00 23.12 20.31 1x60 s ALA 73 CO 0.01 0.35 -0.10 0.96 0.00 0.00 0.00 175.76 176.97 1x60 s ILE 74 N -1.25 0.80 -0.13 0.00 -4.36 0.16 -4.69 121.20 111.74 1x60 s ILE 74 Ca 0.35 -1.26 -0.07 0.00 -0.26 0.00 0.00 60.65 59.41 1x60 s ILE 74 Cb -0.20 -0.91 -0.04 0.00 1.25 0.00 0.00 42.46 42.56 1x60 s ILE 74 CO 0.22 -0.36 0.11 -0.69 0.24 0.00 0.00 174.94 174.46 1x60 s VAL 75 N -1.55 5.26 -0.01 8.37 1.01 -1.26 0.67 120.40 132.89 1x60 s VAL 75 Ca -0.04 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.06 1x60 s VAL 75 Cb -0.09 -3.30 0.01 0.00 0.00 0.00 0.00 36.38 33.00 1x60 s VAL 75 CO 0.01 0.58 -0.01 0.27 0.00 0.00 0.00 175.10 175.95 1x60 s ILE 76 N -0.71 0.11 -0.43 2.22 -4.36 -0.38 -4.99 121.20 112.66 1x60 s ILE 76 Ca 0.13 -0.01 -0.13 0.00 -0.26 0.00 0.00 60.65 60.39 1x60 s ILE 76 Cb -0.12 -0.14 0.06 0.00 1.25 0.00 0.00 42.46 43.51 1x60 s ILE 76 CO 0.03 0.06 0.30 -0.22 0.24 0.00 0.00 174.94 175.35 1x60 s LEU 77 N 0.29 5.23 -0.17 0.37 2.96 -1.25 -2.43 118.68 123.69 1x60 s LEU 77 Ca -0.03 -1.26 -0.07 0.00 -0.22 0.00 0.00 54.13 52.56 1x60 s LEU 77 Cb -0.05 -2.09 -0.04 0.00 0.50 0.00 0.00 46.19 44.52 1x60 s LEU 77 CO -0.01 -0.54 0.05 -1.61 -1.32 0.00 0.00 176.35 172.92 1x60 s GLU 78 N 1.56 3.86 0.00 1.98 2.02 -0.79 -4.79 118.70 122.54 1x60 s GLU 78 Ca 0.03 -0.36 0.21 0.00 0.02 0.00 0.00 54.97 54.88 1x60 s GLU 78 Cb -0.22 -3.15 1.28 0.00 0.10 0.00 0.00 34.13 32.14 1x60 s GLU 78 CO 0.06 0.32 1.66 -1.13 0.02 0.00 0.00 175.26 176.18