#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 3.22 -1.14 1.96 2.36 -1.26 -5.05 119.74 119.82 1x60 s LYS 2 Ca 0.00 -0.74 -0.19 0.00 -2.55 0.00 0.00 55.97 52.49 1x60 s LYS 2 Cb 0.00 -2.67 0.08 0.00 -1.05 0.00 0.00 37.83 34.19 1x60 s LYS 2 CO 0.00 -0.03 1.53 0.21 1.55 0.00 0.00 175.35 178.61 1x60 s LYS 3 N 0.94 3.81 0.61 4.03 2.20 -1.26 -4.99 119.74 125.08 1x60 s LYS 3 Ca -0.03 -1.72 -0.14 0.00 -0.36 0.00 0.00 55.97 53.72 1x60 s LYS 3 Cb -0.15 -5.35 -0.04 0.00 -1.51 0.00 0.00 37.83 30.79 1x60 s LYS 3 CO -0.02 -2.13 1.04 0.95 -0.36 0.00 0.00 175.35 174.83 1x60 s THR 4 N 4.01 4.20 -0.30 3.43 -4.23 -1.26 -5.06 115.64 116.42 1x60 s THR 4 Ca 0.47 0.90 0.06 0.00 -1.18 0.00 0.00 61.69 61.94 1x60 s THR 4 Cb 0.01 -3.55 0.19 0.00 1.34 0.00 0.00 72.50 70.49 1x60 s THR 4 CO -0.02 -0.75 0.57 -0.55 -0.54 0.00 0.00 174.62 173.34 1x60 s SER 5 N -3.36 -1.43 -0.56 3.99 0.15 -1.26 -5.09 113.70 106.16 1x60 s SER 5 Ca 0.60 0.07 0.05 0.00 0.70 0.00 0.00 55.95 57.36 1x60 s SER 5 Cb -0.13 1.94 0.17 0.00 -1.71 0.00 0.00 66.02 66.29 1x60 s SER 5 CO 0.43 -0.30 0.43 -1.20 1.20 0.00 0.00 173.24 173.81 1x60 n SER 6 N 5.35 1.31 -3.75 5.45 7.64 -1.26 -5.08 113.62 123.29 1x60 n SER 6 Ca 0.05 -2.81 -0.09 0.00 1.01 0.00 0.00 58.87 57.03 1x60 n SER 6 Cb 0.54 -0.65 -0.03 0.00 -1.01 0.00 0.00 64.21 63.05 1x60 n SER 6 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x60 s SER 7 N -0.78 -0.05 0.00 6.43 0.15 -1.26 -5.17 113.70 113.02 1x60 s SER 7 Ca 0.30 -0.89 0.00 0.00 0.70 0.00 0.00 55.95 56.05 1x60 s SER 7 Cb 0.01 0.68 0.00 0.00 -1.71 0.00 0.00 66.02 65.00 1x60 s SER 7 CO -0.18 -1.30 0.00 0.61 1.20 0.00 0.00 173.24 173.57 1x60 n GLY 8 N -0.44 4.00 3.00 9.45 0.00 -1.26 -4.63 105.19 115.30 1x60 n GLY 8 Ca -0.03 -0.52 -0.13 0.00 0.00 0.00 0.00 46.02 45.35 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 1.36 -0.45 0.99 1.43 0.18 -4.84 118.68 117.36 1x60 s LEU 9 Ca 0.00 0.27 -0.14 0.00 -1.03 0.00 0.00 54.13 53.24 1x60 s LEU 9 Cb 0.00 0.44 0.07 0.00 0.03 0.00 0.00 46.19 46.73 1x60 s LEU 9 CO 0.00 -0.06 0.34 -0.31 0.23 0.00 0.00 176.35 176.55 1x60 s TYR 10 N 0.25 3.27 0.13 0.29 2.02 -0.82 -0.27 117.35 122.22 1x60 s TYR 10 Ca -0.02 -1.05 0.08 0.00 -0.37 0.00 0.00 57.07 55.71 1x60 s TYR 10 Cb -0.03 -3.02 -0.04 0.00 -0.40 0.00 0.00 41.96 38.48 1x60 s TYR 10 CO -0.01 -0.78 -0.19 0.15 -1.57 0.00 0.00 175.55 173.15 1x60 s LYS 11 N 1.59 1.17 -0.12 -0.62 1.02 -1.02 -0.92 119.74 120.84 1x60 s LYS 11 Ca 0.04 -1.28 -0.03 0.00 0.02 0.00 0.00 55.97 54.72 1x60 s LYS 11 Cb -0.23 -1.28 -0.03 0.00 -0.52 0.00 0.00 37.83 35.77 1x60 s LYS 11 CO 0.06 0.27 0.01 0.08 -0.92 0.00 0.00 175.35 174.85 1x60 s VAL 12 N -1.70 4.33 -0.04 3.17 1.01 -0.14 -1.51 120.40 125.53 1x60 s VAL 12 Ca 0.11 -0.23 0.03 0.00 0.00 0.00 0.00 61.98 61.89 1x60 s VAL 12 Cb -0.07 -2.86 0.00 0.00 0.00 0.00 0.00 36.38 33.45 1x60 s VAL 12 CO 0.05 0.56 -0.13 -1.58 0.00 0.00 0.00 175.10 174.00 1x60 s GLN 13 N -0.44 1.37 0.00 2.72 0.74 0.16 0.12 119.66 124.34 1x60 s GLN 13 Ca 0.08 -0.45 0.14 0.00 0.05 0.00 0.00 55.36 55.18 1x60 s GLN 13 Cb -0.12 -1.22 -0.04 0.00 1.10 0.00 0.00 33.01 32.73 1x60 s GLN 13 CO 0.02 0.17 0.73 0.44 -0.55 0.00 0.00 175.29 176.10 1x60 n ILE 14 N 3.24 0.00 0.00 -2.34 -0.00 -0.86 0.46 119.36 119.86 1x60 n ILE 14 Ca -0.18 -0.31 0.00 0.00 -0.00 0.00 0.00 62.75 62.26 1x60 n ILE 14 Cb 0.54 1.13 0.00 0.00 -0.00 0.00 0.00 39.64 41.30 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 1.13 1.26 3.28 3.28 0.00 -1.24 -4.47 105.19 108.42 1x60 n GLY 15 Ca 0.05 -1.11 -0.13 0.00 0.00 0.00 0.00 46.02 44.83 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 -0.98 -0.00 4.61 0.00 -1.26 -0.06 121.76 122.07 1x60 s ALA 16 Ca 0.00 1.18 -0.13 0.00 0.00 0.00 0.00 51.96 53.00 1x60 s ALA 16 Cb 0.00 -0.69 0.02 0.00 0.00 0.00 0.00 23.12 22.45 1x60 s ALA 16 CO 0.00 -0.20 0.28 -0.06 0.00 0.00 0.00 175.76 175.78 1x60 s PHE 17 N 0.43 -0.13 -0.58 0.00 0.40 0.53 -4.92 117.98 113.72 1x60 s PHE 17 Ca -0.02 0.14 0.13 0.00 -0.60 0.00 0.00 56.93 56.58 1x60 s PHE 17 Cb -0.04 0.07 0.67 0.00 0.51 0.00 0.00 43.02 44.23 1x60 s PHE 17 CO -0.02 -0.39 1.39 1.17 0.70 0.00 0.00 175.22 178.08 1x60 n LYS 18 N 1.19 0.08 -4.40 0.44 4.81 -1.26 0.87 118.16 119.89 1x60 n LYS 18 Ca -0.21 0.55 -0.34 0.00 -0.87 0.00 0.00 58.31 57.44 1x60 n LYS 18 Cb 0.56 -1.75 -0.12 0.00 0.02 0.00 0.00 35.03 33.74 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 -3.29 3.88 0.14 3.15 1.01 -1.26 -4.58 120.40 119.44 1x60 s VAL 19 Ca -0.01 -0.36 -0.09 0.00 0.00 0.00 0.00 61.98 61.53 1x60 s VAL 19 Cb 0.04 -2.70 -0.12 0.00 0.00 0.00 0.00 36.38 33.60 1x60 s VAL 19 CO 0.14 0.49 1.38 0.50 0.00 0.00 0.00 175.10 177.61 1x60 h LYS 20 N 6.70 0.70 -0.76 2.72 3.11 -1.94 -2.50 116.57 124.60 1x60 h LYS 20 Ca -0.31 -0.52 0.13 0.00 -2.81 0.00 0.00 60.65 57.14 1x60 h LYS 20 Cb 1.19 0.09 -0.05 0.00 -1.00 0.00 0.00 32.23 32.46 1x60 h LYS 20 CO 0.63 1.14 0.50 0.00 -2.81 0.00 0.00 179.45 178.91 1x60 h ALA 21 N 0.72 2.02 -0.01 5.00 0.00 -1.96 0.62 119.26 125.65 1x60 h ALA 21 Ca -0.03 -0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.70 1x60 h ALA 21 Cb 1.29 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 1x60 h ALA 21 CO 0.14 -0.21 -0.81 -0.91 0.00 0.00 0.00 179.25 177.45 1x60 h ASN 22 N 0.49 0.17 1.35 0.00 -0.26 -1.92 -2.60 115.58 112.82 1x60 h ASN 22 Ca 0.37 -0.13 0.00 0.00 -0.56 0.00 0.00 56.30 55.97 1x60 h ASN 22 Cb 0.74 -0.05 0.00 0.00 -1.06 0.00 0.00 38.32 37.95 1x60 h ASN 22 CO -0.13 0.91 0.00 0.00 -1.06 0.00 0.00 177.43 177.15 1x60 h ALA 23 N 1.08 1.00 0.16 -0.83 0.00 0.48 -2.53 119.26 118.63 1x60 h ALA 23 Ca -0.03 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.55 1x60 h ALA 23 Cb 1.42 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.21 1x60 h ALA 23 CO 0.12 0.00 -1.65 0.22 0.00 0.00 0.00 179.25 177.94 1x60 h ASP 24 N 0.00 0.54 -0.09 0.00 3.58 -0.20 -2.69 116.42 117.56 1x60 h ASP 24 Ca 0.00 -0.77 -0.12 0.00 0.42 0.00 0.00 57.03 56.57 1x60 h ASP 24 Cb 0.68 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.54 1x60 h ASP 24 CO 0.00 1.64 -0.32 -1.28 -2.88 0.00 0.00 179.24 176.41 1x60 h SER 25 N 0.09 0.59 0.12 2.28 0.87 -1.42 -1.57 113.55 114.52 1x60 h SER 25 Ca -0.30 -0.23 -0.01 0.00 -1.23 0.00 0.00 61.79 60.02 1x60 h SER 25 Cb 2.07 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 63.87 1x60 h SER 25 CO 0.18 0.87 -0.06 0.25 -0.53 0.00 0.00 176.83 177.54 1x60 h LEU 26 N 0.49 -0.14 -2.47 2.23 5.85 -1.56 -2.48 115.31 117.24 1x60 h LEU 26 Ca 0.06 -0.32 0.01 0.00 0.84 0.00 0.00 57.88 58.47 1x60 h LEU 26 Cb 0.79 0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.86 1x60 h LEU 26 CO 0.06 0.27 0.06 0.00 -0.34 0.00 0.00 178.44 178.49 1x60 h ALA 27 N 0.23 1.52 -0.25 1.25 0.00 -1.43 -0.83 119.26 119.75 1x60 h ALA 27 Ca -0.02 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.73 1x60 h ALA 27 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1x60 h ALA 27 CO 0.03 -0.08 -0.48 0.77 0.00 0.00 0.00 179.25 179.48 1x60 h SER 28 N 0.00 0.86 -0.32 0.00 0.02 -1.00 -2.56 113.55 110.55 1x60 h SER 28 Ca 0.02 -0.54 0.01 0.00 -0.84 0.00 0.00 61.79 60.44 1x60 h SER 28 Cb 0.14 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.42 1x60 h SER 28 CO -0.00 1.24 0.20 -0.55 -1.14 0.00 0.00 176.83 176.58 1x60 h ASN 29 N 0.52 0.34 -0.87 3.07 7.08 -0.70 -2.31 115.58 122.71 1x60 h ASN 29 Ca 0.01 -0.00 0.01 0.00 -3.08 0.00 0.00 56.30 53.24 1x60 h ASN 29 Cb 1.09 -0.08 -0.05 0.00 -2.08 0.00 0.00 38.32 37.21 1x60 h ASN 29 CO 0.11 0.25 0.57 0.00 -2.08 0.00 0.00 177.43 176.28 1x60 h ALA 30 N 1.13 1.11 -0.83 4.14 0.00 -1.51 -1.49 119.26 121.81 1x60 h ALA 30 Ca 0.12 -0.05 0.11 0.00 0.00 0.00 0.00 54.91 55.09 1x60 h ALA 30 Cb -0.03 -0.34 -0.06 0.00 0.00 0.00 0.00 17.79 17.37 1x60 h ALA 30 CO -0.04 0.48 0.54 1.49 0.00 0.00 0.00 179.25 181.71 1x60 h GLU 31 N 1.15 0.71 -0.25 0.00 4.81 -1.00 -1.40 114.58 118.61 1x60 h GLU 31 Ca 0.32 -0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.57 1x60 h GLU 31 Cb -0.10 -0.16 -0.06 0.00 0.63 0.00 0.00 28.75 29.06 1x60 h GLU 31 CO -0.08 0.47 -0.13 0.00 -0.73 0.00 0.00 179.01 178.53 1x60 h ALA 32 N 1.59 0.06 0.00 2.92 0.00 -0.80 0.27 119.26 123.30 1x60 h ALA 32 Ca 0.39 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.37 1x60 h ALA 32 Cb 0.51 0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 1x60 h ALA 32 CO -0.16 -0.54 -0.12 0.87 0.00 0.00 0.00 179.25 179.30 1x60 h LYS 33 N -0.11 0.00 0.00 0.00 1.79 -1.27 -3.46 116.57 113.53 1x60 h LYS 33 Ca 0.14 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.61 1x60 h LYS 33 Cb 0.31 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.96 1x60 h LYS 33 CO -0.32 0.12 0.00 0.41 -1.08 0.00 0.00 179.45 178.58 1x60 n GLY 34 N -1.09 1.72 3.93 3.86 0.00 0.94 -5.13 105.19 109.42 1x60 n GLY 34 Ca -0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.76 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 3.40 -0.92 1.61 0.08 -0.85 -4.98 117.98 114.32 1x60 s PHE 35 Ca 0.00 0.02 -0.22 0.00 0.12 0.00 0.00 56.93 56.85 1x60 s PHE 35 Cb 0.00 -1.58 0.08 0.00 -0.57 0.00 0.00 43.02 40.95 1x60 s PHE 35 CO 0.00 0.48 1.26 -0.51 -0.10 0.00 0.00 175.22 176.35 1x60 s ASP 36 N -3.60 6.47 0.55 1.36 1.11 -1.26 -4.02 116.67 117.28 1x60 s ASP 36 Ca 0.34 -1.51 -0.14 0.00 0.18 0.00 0.00 52.55 51.42 1x60 s ASP 36 Cb -0.10 -2.49 -0.06 0.00 1.07 0.00 0.00 42.92 41.34 1x60 s ASP 36 CO 0.28 -1.37 0.99 -0.94 1.18 0.00 0.00 175.17 175.31 1x60 s SER 37 N 4.21 6.46 -0.22 0.27 1.04 -1.26 -2.52 113.70 121.69 1x60 s SER 37 Ca 0.37 1.49 -0.25 0.00 0.48 0.00 0.00 55.95 58.04 1x60 s SER 37 Cb -0.05 -2.48 0.07 0.00 0.10 0.00 0.00 66.02 63.66 1x60 s SER 37 CO -0.05 -0.69 0.67 -0.51 0.98 0.00 0.00 173.24 173.65 1x60 s ILE 38 N -2.83 0.00 -0.28 -1.02 2.07 0.34 -4.96 121.20 114.52 1x60 s ILE 38 Ca 0.57 -0.01 -0.02 0.00 -1.41 0.00 0.00 60.65 59.78 1x60 s ILE 38 Cb -0.10 -0.95 0.04 0.00 0.13 0.00 0.00 42.46 41.58 1x60 s ILE 38 CO 0.40 -0.01 -0.02 -0.69 -1.91 0.00 0.00 174.94 172.72 1x60 s VAL 39 N 0.07 2.99 -0.21 4.00 1.01 -1.26 -0.98 120.40 126.02 1x60 s VAL 39 Ca -0.02 -1.25 -0.06 0.00 0.00 0.00 0.00 61.98 60.65 1x60 s VAL 39 Cb -0.04 -2.65 -0.03 0.00 0.00 0.00 0.00 36.38 33.66 1x60 s VAL 39 CO 0.03 -0.01 0.02 -0.22 0.00 0.00 0.00 175.10 174.92 1x60 s LEU 40 N 1.28 3.38 -0.41 3.92 2.96 -0.74 -4.91 118.68 124.17 1x60 s LEU 40 Ca -0.03 -0.15 -0.24 0.00 -0.22 0.00 0.00 54.13 53.48 1x60 s LEU 40 Cb -0.19 -1.87 0.02 0.00 0.50 0.00 0.00 46.19 44.65 1x60 s LEU 40 CO -0.02 0.07 0.82 -0.22 -1.32 0.00 0.00 176.35 175.67 1x60 s LEU 41 N 1.00 4.14 0.51 -0.68 2.96 -1.26 -1.11 118.68 124.24 1x60 s LEU 41 Ca 0.02 0.19 -0.01 0.00 -0.22 0.00 0.00 54.13 54.12 1x60 s LEU 41 Cb -0.14 -3.05 0.01 0.00 0.50 0.00 0.00 46.19 43.51 1x60 s LEU 41 CO 0.02 -0.85 0.75 -1.59 -1.32 0.00 0.00 176.35 173.37 1x60 s LYS 42 N 3.29 2.87 0.00 1.98 0.00 0.31 -4.91 119.74 123.28 1x60 s LYS 42 Ca 0.32 -0.47 -0.23 0.00 0.00 0.00 0.00 55.97 55.60 1x60 s LYS 42 Cb -0.12 -2.47 -0.28 0.00 0.00 0.00 0.00 37.83 34.95 1x60 s LYS 42 CO 0.20 -0.50 1.37 -3.47 0.00 0.00 0.00 175.35 172.95 1x60 n ASP 43 N -2.27 0.64 0.00 0.03 2.03 -1.26 -2.00 116.55 113.71 1x60 n ASP 43 Ca 0.04 -2.18 0.00 0.00 0.52 0.00 0.00 54.79 53.17 1x60 n ASP 43 Cb 0.58 -0.44 0.00 0.00 -0.72 0.00 0.00 41.12 40.55 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 4.66 1.27 3.32 0.27 0.00 -1.26 -5.13 105.19 108.32 1x60 n GLY 44 Ca 0.35 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.25 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 0.95 -0.04 0.99 1.43 -0.85 -4.66 118.68 116.50 1x60 s LEU 45 Ca 0.00 -1.29 0.05 0.00 -1.03 0.00 0.00 54.13 51.86 1x60 s LEU 45 Cb 0.00 0.80 -0.02 0.00 0.03 0.00 0.00 46.19 47.00 1x60 s LEU 45 CO 0.00 -0.95 -0.17 -0.31 0.23 0.00 0.00 176.35 175.15 1x60 s TYR 46 N -4.04 2.61 0.24 0.29 1.51 0.25 0.11 117.35 118.32 1x60 s TYR 46 Ca 0.34 -0.25 0.10 0.00 -1.01 0.00 0.00 57.07 56.26 1x60 s TYR 46 Cb 0.04 -1.60 -0.05 0.00 -0.11 0.00 0.00 41.96 40.24 1x60 s TYR 46 CO 0.12 0.11 -0.19 0.15 -1.11 0.00 0.00 175.55 174.64 1x60 s LYS 47 N -0.66 1.53 -0.21 -0.62 3.01 -0.26 0.20 119.74 122.73 1x60 s LYS 47 Ca 0.10 -1.66 0.01 0.00 -1.01 0.00 0.00 55.97 53.41 1x60 s LYS 47 Cb -0.11 -1.56 0.04 0.00 -1.01 0.00 0.00 37.83 35.19 1x60 s LYS 47 CO 0.00 0.29 -0.11 0.08 0.51 0.00 0.00 175.35 176.12 1x60 s VAL 48 N -2.49 1.79 -0.08 3.17 1.01 0.91 -1.80 120.40 122.92 1x60 s VAL 48 Ca 0.26 -1.14 0.01 0.00 0.00 0.00 0.00 61.98 61.11 1x60 s VAL 48 Cb -0.04 -1.85 -0.03 0.00 0.00 0.00 0.00 36.38 34.46 1x60 s VAL 48 CO 0.11 0.16 -0.11 -1.58 0.00 0.00 0.00 175.10 173.69 1x60 s GLN 49 N 1.32 2.83 -0.06 2.72 0.74 -0.16 -2.03 119.66 125.02 1x60 s GLN 49 Ca -0.02 -0.63 -0.00 0.00 0.05 0.00 0.00 55.36 54.76 1x60 s GLN 49 Cb -0.17 -2.54 0.03 0.00 1.10 0.00 0.00 33.01 31.43 1x60 s GLN 49 CO -0.08 0.54 -0.02 0.96 -0.55 0.00 0.00 175.29 176.14 1x60 s ILE 50 N -0.49 0.50 -0.01 -2.34 -5.25 0.33 -0.51 121.20 113.43 1x60 s ILE 50 Ca 0.07 -0.01 -0.01 0.00 -0.99 0.00 0.00 60.65 59.71 1x60 s ILE 50 Cb -0.12 -0.59 0.00 0.00 2.95 0.00 0.00 42.46 44.71 1x60 s ILE 50 CO 0.02 0.25 0.01 0.61 -1.79 0.00 0.00 174.94 174.05 1x60 n GLY 51 N 4.67 -3.09 2.99 6.27 0.00 -1.05 -2.94 105.19 112.04 1x60 n GLY 51 Ca -0.15 -0.30 -0.29 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.05 1.67 0.26 4.61 0.00 -1.26 -0.96 121.76 126.04 1x60 s ALA 52 Ca -0.02 -0.77 0.02 0.00 0.00 0.00 0.00 51.96 51.19 1x60 s ALA 52 Cb 0.00 -0.97 -0.03 0.00 0.00 0.00 0.00 23.12 22.12 1x60 s ALA 52 CO 0.04 -0.34 0.23 -0.06 0.00 0.00 0.00 175.76 175.64 1x60 s PHE 53 N 1.46 1.36 -0.62 0.00 0.40 -0.10 -5.00 117.98 115.49 1x60 s PHE 53 Ca 0.03 -1.46 0.25 0.00 -0.60 0.00 0.00 56.93 55.14 1x60 s PHE 53 Cb -0.13 -0.56 0.48 0.00 0.51 0.00 0.00 43.02 43.32 1x60 s PHE 53 CO -0.08 -0.78 1.49 0.77 0.70 0.00 0.00 175.22 177.31 1x60 h SER 54 N 2.37 0.00 -3.33 1.36 0.02 -1.95 -2.18 113.55 109.85 1x60 h SER 54 Ca -0.31 -0.10 -0.65 0.00 -0.84 0.00 0.00 61.79 59.89 1x60 h SER 54 Cb 1.24 0.00 -0.26 0.00 0.14 0.00 0.00 62.40 63.53 1x60 h SER 54 CO 0.45 0.05 -0.73 -0.44 -1.14 0.00 0.00 176.83 175.01 1x60 s SER 55 N -4.62 4.26 0.39 3.07 0.01 -1.26 -4.69 113.70 110.86 1x60 s SER 55 Ca 0.07 -0.29 0.10 0.00 1.31 0.00 0.00 55.95 57.14 1x60 s SER 55 Cb 0.12 -1.68 0.88 0.00 0.21 0.00 0.00 66.02 65.55 1x60 s SER 55 CO 0.68 0.13 1.96 0.50 0.41 0.00 0.00 173.24 176.92 1x60 h LYS 56 N 6.96 0.57 -0.84 12.44 3.11 -1.90 -1.00 116.57 135.92 1x60 h LYS 56 Ca -0.30 -0.03 0.23 0.00 -2.81 0.00 0.00 60.65 57.73 1x60 h LYS 56 Cb 1.20 -0.13 -0.04 0.00 -1.00 0.00 0.00 32.23 32.25 1x60 h LYS 56 CO 0.58 0.38 0.59 0.22 -2.81 0.00 0.00 179.45 178.41 1x60 h ASP 57 N 0.59 0.12 -0.01 4.20 3.58 -1.98 0.37 116.42 123.30 1x60 h ASP 57 Ca 0.31 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.77 1x60 h ASP 57 Cb 0.44 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.48 1x60 h ASP 57 CO -0.10 0.05 -0.02 0.78 -2.88 0.00 0.00 179.24 177.07 1x60 h ASN 58 N 0.12 0.03 -0.78 2.28 2.35 -1.57 -2.56 115.58 115.45 1x60 h ASN 58 Ca 0.41 -0.60 0.01 0.00 -0.55 0.00 0.00 56.30 55.57 1x60 h ASN 58 Cb 1.44 -0.01 -0.04 0.00 0.05 0.00 0.00 38.32 39.77 1x60 h ASN 58 CO -0.06 0.62 0.52 0.00 -1.65 0.00 0.00 177.43 176.86 1x60 h ALA 59 N 0.41 1.00 0.09 -0.83 0.00 -1.19 -1.33 119.26 117.41 1x60 h ALA 59 Ca -0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1x60 h ALA 59 Cb 0.62 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1x60 h ALA 59 CO 0.00 0.41 -0.05 -0.44 0.00 0.00 0.00 179.25 179.17 1x60 h ASP 60 N 1.06 -0.11 -0.76 0.00 5.19 -1.04 0.28 116.42 121.05 1x60 h ASP 60 Ca 0.29 -0.00 0.04 0.00 -0.62 0.00 0.00 57.03 56.74 1x60 h ASP 60 Cb -0.12 0.03 -0.04 0.00 0.18 0.00 0.00 39.33 39.37 1x60 h ASP 60 CO -0.06 -0.07 0.50 0.74 -3.12 0.00 0.00 179.24 177.23 1x60 h THR 61 N -0.13 1.10 0.07 0.35 2.02 -1.21 -0.63 112.91 114.48 1x60 h THR 61 Ca -0.01 -0.31 -0.00 0.00 0.77 0.00 0.00 66.41 66.85 1x60 h THR 61 Cb 0.10 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 66.63 1x60 h THR 61 CO 0.02 0.16 -0.04 0.25 0.37 0.00 0.00 175.52 176.29 1x60 h LEU 62 N 0.90 -0.08 0.45 2.58 7.12 -0.81 -2.44 115.31 123.02 1x60 h LEU 62 Ca 0.31 -0.37 -0.01 0.00 0.13 0.00 0.00 57.88 57.94 1x60 h LEU 62 Cb 0.09 0.02 -0.03 0.00 -0.53 0.00 0.00 40.66 40.22 1x60 h LEU 62 CO -0.09 0.34 -0.52 0.00 -0.13 0.00 0.00 178.44 178.04 1x60 h ALA 63 N 0.35 -1.14 -0.96 1.25 0.00 -0.02 0.16 119.26 118.90 1x60 h ALA 63 Ca -0.01 -0.18 0.21 0.00 0.00 0.00 0.00 54.91 54.93 1x60 h ALA 63 Cb 0.45 0.77 -0.08 0.00 0.00 0.00 0.00 17.79 18.92 1x60 h ALA 63 CO 0.02 -1.18 0.62 0.00 0.00 0.00 0.00 179.25 178.70 1x60 h ALA 64 N -0.84 2.06 -0.62 0.00 0.00 -1.22 0.47 119.26 119.11 1x60 h ALA 64 Ca -0.06 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 1x60 h ALA 64 Cb 0.87 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 1x60 h ALA 64 CO -0.10 -0.39 0.04 -0.09 0.00 0.00 0.00 179.25 178.71 1x60 h ARG 65 N 0.51 1.06 -0.56 0.00 2.43 -0.79 0.04 114.38 117.06 1x60 h ARG 65 Ca 0.52 -0.31 -0.06 0.00 -0.81 0.00 0.00 59.98 59.32 1x60 h ARG 65 Cb 1.15 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.57 1x60 h ARG 65 CO -0.25 1.01 0.11 0.00 -1.51 0.00 0.00 179.97 179.32 1x60 h ALA 66 N 1.06 0.74 -0.29 2.80 0.00 0.27 0.93 119.26 124.77 1x60 h ALA 66 Ca 0.18 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1x60 h ALA 66 Cb 0.51 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1x60 h ALA 66 CO 0.02 0.48 0.15 0.87 0.00 0.00 0.00 179.25 180.77 1x60 h LYS 67 N 0.82 0.40 0.00 0.00 1.79 0.25 1.27 116.57 121.11 1x60 h LYS 67 Ca 0.17 -0.05 -0.06 0.00 -2.18 0.00 0.00 60.65 58.53 1x60 h LYS 67 Cb 0.39 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 30.96 1x60 h LYS 67 CO 0.01 0.36 -0.27 -0.97 -1.08 0.00 0.00 179.45 177.49 1x60 h ASN 68 N 0.34 0.00 1.44 0.86 -1.24 -0.73 -2.48 115.58 113.77 1x60 h ASN 68 Ca 0.10 0.00 -0.04 0.00 0.71 0.00 0.00 56.30 57.07 1x60 h ASN 68 Cb 0.08 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.12 1x60 h ASN 68 CO -0.02 0.27 -0.20 0.00 -1.29 0.00 0.00 177.43 176.20 1x60 h ALA 69 N 1.73 0.91 0.00 1.57 0.00 0.19 -3.47 119.26 120.20 1x60 h ALA 69 Ca -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1x60 h ALA 69 Cb 0.70 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1x60 h ALA 69 CO 0.04 0.25 0.00 0.41 0.00 0.00 0.00 179.25 179.94 1x60 n GLY 70 N 0.74 1.73 3.15 0.00 0.00 0.33 -5.04 105.19 106.10 1x60 n GLY 70 Ca 0.02 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.85 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 1.22 -1.23 1.61 0.08 0.41 -4.98 117.98 113.08 1x60 s PHE 71 Ca 0.00 -0.40 -0.10 0.00 0.12 0.00 0.00 56.93 56.55 1x60 s PHE 71 Cb 0.00 -0.70 0.19 0.00 -0.57 0.00 0.00 43.02 41.93 1x60 s PHE 71 CO 0.00 0.04 1.68 -3.47 -0.10 0.00 0.00 175.22 173.37 1x60 n ASP 72 N 1.63 5.28 -4.79 1.36 2.03 -1.26 -1.43 116.55 119.37 1x60 n ASP 72 Ca -0.19 -3.10 -0.39 0.00 0.52 0.00 0.00 54.79 51.63 1x60 n ASP 72 Cb 0.54 -1.48 -0.06 0.00 -0.72 0.00 0.00 41.12 39.41 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 0.32 3.48 0.07 -1.67 0.00 -1.26 -4.06 121.76 118.64 1x60 s ALA 73 Ca 0.39 0.26 0.04 0.00 0.00 0.00 0.00 51.96 52.65 1x60 s ALA 73 Cb 0.05 -2.86 -0.03 0.00 0.00 0.00 0.00 23.12 20.28 1x60 s ALA 73 CO 0.01 0.32 -0.12 0.96 0.00 0.00 0.00 175.76 176.94 1x60 s ILE 74 N -1.18 0.93 -0.13 0.00 -4.36 0.17 -4.69 121.20 111.94 1x60 s ILE 74 Ca 0.35 -1.32 -0.05 0.00 -0.26 0.00 0.00 60.65 59.36 1x60 s ILE 74 Cb -0.21 -1.01 -0.04 0.00 1.25 0.00 0.00 42.46 42.44 1x60 s ILE 74 CO 0.24 -0.34 0.06 -0.69 0.24 0.00 0.00 174.94 174.45 1x60 s VAL 75 N -1.55 4.79 -0.00 8.37 1.01 -1.26 0.40 120.40 132.16 1x60 s VAL 75 Ca -0.02 -0.05 0.01 0.00 0.00 0.00 0.00 61.98 61.92 1x60 s VAL 75 Cb -0.08 -3.10 -0.00 0.00 0.00 0.00 0.00 36.38 33.20 1x60 s VAL 75 CO 0.01 0.55 -0.05 0.27 0.00 0.00 0.00 175.10 175.89 1x60 s ILE 76 N -0.39 0.37 -0.48 2.22 -4.36 -0.57 -4.99 121.20 113.01 1x60 s ILE 76 Ca 0.09 -0.19 -0.18 0.00 -0.26 0.00 0.00 60.65 60.11 1x60 s ILE 76 Cb -0.12 -0.32 0.05 0.00 1.25 0.00 0.00 42.46 43.32 1x60 s ILE 76 CO 0.02 0.11 0.53 -0.22 0.24 0.00 0.00 174.94 175.61 1x60 s LEU 77 N -0.07 5.08 -0.45 0.37 2.96 -1.25 -2.44 118.68 122.89 1x60 s LEU 77 Ca 0.01 -0.94 -0.19 0.00 -0.22 0.00 0.00 54.13 52.79 1x60 s LEU 77 Cb -0.02 -2.38 0.03 0.00 0.50 0.00 0.00 46.19 44.32 1x60 s LEU 77 CO -0.00 -0.76 0.57 -1.61 -1.32 0.00 0.00 176.35 173.23 1x60 s GLU 78 N 2.29 3.18 0.00 1.98 2.02 0.63 -4.71 118.70 124.09 1x60 s GLU 78 Ca 0.12 -0.61 0.13 0.00 0.02 0.00 0.00 54.97 54.63 1x60 s GLU 78 Cb -0.20 -3.99 0.80 0.00 0.10 0.00 0.00 34.13 30.85 1x60 s GLU 78 CO 0.11 -1.00 1.23 -1.13 0.02 0.00 0.00 175.26 174.49