#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 1.37 0.00 1.96 -0.14 -1.26 -5.03 119.74 116.64 1x60 s LYS 2 Ca 0.00 -1.32 0.00 0.00 -1.36 0.00 0.00 55.97 53.29 1x60 s LYS 2 Cb 0.00 -1.83 0.00 0.00 -1.68 0.00 0.00 37.83 34.32 1x60 s LYS 2 CO 0.00 0.43 0.00 1.63 -0.76 0.00 0.00 175.35 176.65 1x60 n LYS 3 N 0.96 0.00 -2.63 1.68 4.01 -1.26 -5.03 118.16 115.89 1x60 n LYS 3 Ca -0.18 0.00 -0.43 0.00 -0.51 0.00 0.00 58.31 57.19 1x60 n LYS 3 Cb 0.53 -0.22 -0.02 0.00 -0.51 0.00 0.00 35.03 34.81 1x60 n LYS 3 CO 0.00 0.00 0.00 0.95 -1.11 0.00 0.00 177.40 177.24 1x60 s THR 4 N -1.92 4.42 0.02 -0.18 -4.23 -1.26 -4.95 115.64 107.54 1x60 s THR 4 Ca 0.00 1.56 -0.28 0.00 -1.18 0.00 0.00 61.69 61.79 1x60 s THR 4 Cb 0.00 -4.47 0.10 0.00 1.34 0.00 0.00 72.50 69.47 1x60 s THR 4 CO 0.00 -0.64 1.23 -0.94 -0.54 0.00 0.00 174.62 173.73 1x60 s SER 5 N 1.91 -0.04 0.07 3.99 1.04 -1.26 -5.19 113.70 114.23 1x60 s SER 5 Ca 0.46 -0.25 0.00 0.00 0.48 0.00 0.00 55.95 56.65 1x60 s SER 5 Cb -0.11 0.22 0.00 0.00 0.10 0.00 0.00 66.02 66.24 1x60 s SER 5 CO 0.20 -0.43 0.04 -0.24 0.98 0.00 0.00 173.24 173.80 1x60 n SER 6 N -0.78 1.51 -3.21 7.02 2.88 -1.26 -5.13 113.62 114.64 1x60 n SER 6 Ca -0.03 -1.27 -0.07 0.00 -1.33 0.00 0.00 58.87 56.17 1x60 n SER 6 Cb 0.61 0.01 -0.03 0.00 -0.75 0.00 0.00 64.21 64.04 1x60 n SER 6 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x60 s SER 7 N -1.41 -0.46 0.00 -3.46 0.01 -1.26 -5.13 113.70 101.99 1x60 s SER 7 Ca 0.03 -1.29 0.00 0.00 1.31 0.00 0.00 55.95 56.00 1x60 s SER 7 Cb -0.00 1.36 0.00 0.00 0.21 0.00 0.00 66.02 67.59 1x60 s SER 7 CO 0.02 -0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.09 1x60 n GLY 8 N 4.09 -0.49 3.02 3.44 0.00 -1.26 -4.19 105.19 109.81 1x60 n GLY 8 Ca 0.13 -0.95 -0.12 0.00 0.00 0.00 0.00 46.02 45.07 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 -0.44 0.99 1.43 0.13 -4.85 118.68 117.39 1x60 s LEU 9 Ca 0.00 0.28 -0.14 0.00 -1.03 0.00 0.00 54.13 53.24 1x60 s LEU 9 Cb 0.00 0.50 0.06 0.00 0.03 0.00 0.00 46.19 46.78 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 0.04 3.26 0.16 0.29 2.02 -0.79 0.16 117.35 122.49 1x60 s TYR 10 Ca -0.00 -0.96 0.08 0.00 -0.37 0.00 0.00 57.07 55.82 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 -0.75 -0.17 0.15 -1.57 0.00 0.00 175.55 173.21 1x60 s LYS 11 N 1.61 1.23 -0.04 -0.62 1.02 -1.02 -1.03 119.74 120.90 1x60 s LYS 11 Ca 0.04 -1.40 -0.00 0.00 0.02 0.00 0.00 55.97 54.63 1x60 s LYS 11 Cb -0.23 -1.23 -0.03 0.00 -0.52 0.00 0.00 37.83 35.82 1x60 s LYS 11 CO 0.07 0.24 0.01 0.08 -0.92 0.00 0.00 175.35 174.82 1x60 s VAL 12 N -2.18 4.26 -0.03 3.17 1.01 -0.14 -1.41 120.40 125.08 1x60 s VAL 12 Ca 0.15 -0.44 0.01 0.00 0.00 0.00 0.00 61.98 61.71 1x60 s VAL 12 Cb -0.05 -2.85 0.01 0.00 0.00 0.00 0.00 36.38 33.49 1x60 s VAL 12 CO 0.06 0.47 -0.04 -1.58 0.00 0.00 0.00 175.10 174.01 1x60 s GLN 13 N -1.29 0.65 0.00 2.72 0.74 0.21 0.12 119.66 122.82 1x60 s GLN 13 Ca 0.17 -0.11 0.16 0.00 0.05 0.00 0.00 55.36 55.62 1x60 s GLN 13 Cb -0.11 -0.68 -0.03 0.00 1.10 0.00 0.00 33.01 33.29 1x60 s GLN 13 CO 0.07 -0.02 0.81 0.44 -0.55 0.00 0.00 175.29 176.04 1x60 n ILE 14 N 3.72 0.00 0.00 -2.34 -0.00 -0.82 0.41 119.36 120.33 1x60 n ILE 14 Ca -0.22 -0.31 0.00 0.00 -0.00 0.00 0.00 62.75 62.22 1x60 n ILE 14 Cb 0.53 1.16 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 1.16 0.92 3.31 3.28 0.00 -1.22 -4.50 105.19 108.13 1x60 n GLY 15 Ca 0.06 -1.23 -0.14 0.00 0.00 0.00 0.00 46.02 44.71 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 -1.98 -1.03 0.01 4.61 0.00 -1.26 0.34 121.76 122.46 1x60 s ALA 16 Ca 0.00 0.94 -0.11 0.00 0.00 0.00 0.00 51.96 52.79 1x60 s ALA 16 Cb 0.00 -0.40 0.01 0.00 0.00 0.00 0.00 23.12 22.73 1x60 s ALA 16 CO 0.00 -0.23 0.23 -0.06 0.00 0.00 0.00 175.76 175.70 1x60 s PHE 17 N -0.36 -0.05 -0.11 0.00 0.40 0.36 -4.89 117.98 113.33 1x60 s PHE 17 Ca -0.05 -0.01 0.25 0.00 -0.60 0.00 0.00 56.93 56.52 1x60 s PHE 17 Cb -0.03 0.02 1.33 0.00 0.51 0.00 0.00 43.02 44.84 1x60 s PHE 17 CO 0.02 -0.37 1.77 0.87 0.70 0.00 0.00 175.22 178.21 1x60 h LYS 18 N 3.85 0.00 -5.24 0.44 1.57 -1.83 0.64 116.57 116.00 1x60 h LYS 18 Ca -0.31 0.00 -0.63 0.00 -1.87 0.00 0.00 60.65 57.85 1x60 h LYS 18 Cb 1.19 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 33.31 1x60 h LYS 18 CO 0.42 0.00 -0.61 0.08 -0.57 0.00 0.00 179.45 178.78 1x60 s VAL 19 N -3.61 4.43 0.11 0.50 1.01 -1.26 -4.63 120.40 116.95 1x60 s VAL 19 Ca -0.02 -0.16 -0.14 0.00 0.00 0.00 0.00 61.98 61.66 1x60 s VAL 19 Cb 0.07 -2.99 -0.06 0.00 0.00 0.00 0.00 36.38 33.41 1x60 s VAL 19 CO 0.25 0.45 1.48 0.50 0.00 0.00 0.00 175.10 177.78 1x60 h LYS 20 N 6.93 0.74 -0.53 2.72 3.11 -1.96 -1.69 116.57 125.90 1x60 h LYS 20 Ca -0.35 -0.33 0.13 0.00 -2.81 0.00 0.00 60.65 57.28 1x60 h LYS 20 Cb 1.18 -0.01 -0.03 0.00 -1.00 0.00 0.00 32.23 32.37 1x60 h LYS 20 CO 0.66 0.95 0.37 0.00 -2.81 0.00 0.00 179.45 178.61 1x60 h ALA 21 N 0.77 2.31 0.07 5.00 0.00 -1.96 0.42 119.26 125.87 1x60 h ALA 21 Ca 0.07 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.72 1x60 h ALA 21 Cb 0.74 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1x60 h ALA 21 CO 0.06 -0.45 -1.09 -0.91 0.00 0.00 0.00 179.25 176.85 1x60 h ASN 22 N 0.14 0.46 1.10 0.00 2.35 -1.88 -2.54 115.58 115.21 1x60 h ASN 22 Ca 0.25 -0.43 -0.01 0.00 -0.55 0.00 0.00 56.30 55.55 1x60 h ASN 22 Cb 0.81 -0.15 -0.00 0.00 0.05 0.00 0.00 38.32 39.03 1x60 h ASN 22 CO -0.03 1.28 -0.07 0.00 -1.65 0.00 0.00 177.43 176.96 1x60 h ALA 23 N 0.67 1.00 0.17 -0.83 0.00 0.54 -2.58 119.26 118.24 1x60 h ALA 23 Ca -0.11 -0.06 -0.32 0.00 0.00 0.00 0.00 54.91 54.42 1x60 h ALA 23 Cb 1.77 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.56 1x60 h ALA 23 CO 0.18 0.09 -1.54 0.22 0.00 0.00 0.00 179.25 178.20 1x60 h ASP 24 N 0.00 0.55 -0.32 0.00 3.58 -0.30 -2.70 116.42 117.23 1x60 h ASP 24 Ca -0.00 -0.70 -0.07 0.00 0.42 0.00 0.00 57.03 56.67 1x60 h ASP 24 Cb 0.64 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 41.49 1x60 h ASP 24 CO 0.01 1.58 -0.03 -1.28 -2.88 0.00 0.00 179.24 176.64 1x60 h SER 25 N 0.10 0.66 -0.08 2.28 0.87 -1.31 -1.84 113.55 114.23 1x60 h SER 25 Ca -0.26 -0.16 -0.03 0.00 -1.23 0.00 0.00 61.79 60.12 1x60 h SER 25 Cb 2.07 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 63.85 1x60 h SER 25 CO 0.20 0.75 -0.06 0.25 -0.53 0.00 0.00 176.83 177.44 1x60 h LEU 26 N 0.64 0.18 -2.30 2.23 5.85 -1.54 -2.37 115.31 118.01 1x60 h LEU 26 Ca 0.13 -0.45 0.03 0.00 0.84 0.00 0.00 57.88 58.43 1x60 h LEU 26 Cb 0.45 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.42 1x60 h LEU 26 CO 0.02 0.59 0.12 0.00 -0.34 0.00 0.00 178.44 178.83 1x60 h ALA 27 N 0.59 1.73 -0.05 1.25 0.00 -1.28 -1.09 119.26 120.41 1x60 h ALA 27 Ca 0.02 -0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.68 1x60 h ALA 27 Cb 0.53 0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.35 1x60 h ALA 27 CO 0.01 -0.17 -0.90 1.03 0.00 0.00 0.00 179.25 179.22 1x60 h SER 28 N 0.00 0.87 -0.20 0.00 0.87 -1.06 -2.54 113.55 111.49 1x60 h SER 28 Ca 0.05 -0.71 0.01 0.00 -1.23 0.00 0.00 61.79 59.92 1x60 h SER 28 Cb 0.28 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.96 1x60 h SER 28 CO -0.00 1.46 0.11 -0.55 -0.53 0.00 0.00 176.83 177.32 1x60 h ASN 29 N 0.37 0.17 -0.67 6.23 -1.07 -0.69 -2.16 115.58 117.78 1x60 h ASN 29 Ca -0.10 0.00 -0.04 0.00 0.07 0.00 0.00 56.30 56.24 1x60 h ASN 29 Cb 1.55 -0.03 -0.03 0.00 -2.07 0.00 0.00 38.32 37.74 1x60 h ASN 29 CO 0.18 0.13 0.27 0.00 0.07 0.00 0.00 177.43 178.08 1x60 h ALA 30 N 1.09 1.18 -0.83 4.14 0.00 -1.56 -2.09 119.26 121.19 1x60 h ALA 30 Ca 0.08 -0.18 0.13 0.00 0.00 0.00 0.00 54.91 54.94 1x60 h ALA 30 Cb 0.00 -0.28 -0.06 0.00 0.00 0.00 0.00 17.79 17.46 1x60 h ALA 30 CO -0.05 0.59 0.54 1.49 0.00 0.00 0.00 179.25 181.83 1x60 h GLU 31 N 1.00 0.63 -0.26 0.00 4.81 -0.95 -1.43 114.58 118.38 1x60 h GLU 31 Ca 0.23 -0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.48 1x60 h GLU 31 Cb 0.19 -0.14 -0.06 0.00 0.63 0.00 0.00 28.75 29.37 1x60 h GLU 31 CO -0.02 0.42 -0.13 0.00 -0.73 0.00 0.00 179.01 178.55 1x60 h ALA 32 N 1.61 0.09 0.00 2.92 0.00 -0.84 0.28 119.26 123.31 1x60 h ALA 32 Ca 0.41 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.40 1x60 h ALA 32 Cb 0.66 0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 1x60 h ALA 32 CO -0.17 -0.53 -0.09 0.87 0.00 0.00 0.00 179.25 179.33 1x60 h LYS 33 N -0.09 0.00 0.00 0.00 1.79 -1.34 -3.45 116.57 113.47 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 0.30 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.95 1x60 h LYS 33 CO -0.32 0.09 0.00 0.41 -1.08 0.00 0.00 179.45 178.55 1x60 n GLY 34 N -1.15 1.76 3.94 3.86 0.00 0.99 -5.13 105.19 109.47 1x60 n GLY 34 Ca -0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.73 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 3.49 -0.92 1.61 0.08 -0.98 -4.99 117.98 114.27 1x60 s PHE 35 Ca 0.00 0.15 -0.23 0.00 0.12 0.00 0.00 56.93 56.97 1x60 s PHE 35 Cb 0.00 -1.69 0.06 0.00 -0.57 0.00 0.00 43.02 40.82 1x60 s PHE 35 CO 0.00 0.50 1.32 -0.51 -0.10 0.00 0.00 175.22 176.43 1x60 s ASP 36 N -3.21 6.44 0.55 1.36 1.11 -1.26 -4.06 116.67 117.59 1x60 s ASP 36 Ca 0.35 -1.34 -0.15 0.00 0.18 0.00 0.00 52.55 51.59 1x60 s ASP 36 Cb -0.11 -2.52 -0.07 0.00 1.07 0.00 0.00 42.92 41.29 1x60 s ASP 36 CO 0.29 -1.48 1.00 -0.94 1.18 0.00 0.00 175.17 175.21 1x60 s SER 37 N 4.40 6.50 -0.21 0.27 1.04 -1.26 -1.71 113.70 122.74 1x60 s SER 37 Ca 0.40 1.53 -0.23 0.00 0.48 0.00 0.00 55.95 58.13 1x60 s SER 37 Cb -0.04 -2.50 0.06 0.00 0.10 0.00 0.00 66.02 63.65 1x60 s SER 37 CO -0.04 -0.67 0.63 -0.51 0.98 0.00 0.00 173.24 173.63 1x60 s ILE 38 N -2.78 0.00 -0.19 -1.02 2.07 0.14 -4.94 121.20 114.47 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 -0.89 0.02 0.00 0.13 0.00 0.00 42.46 41.62 1x60 s ILE 38 CO 0.38 -0.01 -0.19 -0.69 -1.91 0.00 0.00 174.94 172.52 1x60 s VAL 39 N 0.11 2.07 -0.16 4.00 1.01 -1.25 -0.71 120.40 125.46 1x60 s VAL 39 Ca -0.02 -1.00 -0.00 0.00 0.00 0.00 0.00 61.98 60.96 1x60 s VAL 39 Cb -0.04 -1.90 -0.01 0.00 0.00 0.00 0.00 36.38 34.44 1x60 s VAL 39 CO 0.02 0.49 -0.13 -0.22 0.00 0.00 0.00 175.10 175.26 1x60 s LEU 40 N 1.27 2.59 -0.35 3.92 2.96 -0.69 -4.90 118.68 123.48 1x60 s LEU 40 Ca 0.04 -0.43 -0.23 0.00 -0.22 0.00 0.00 54.13 53.29 1x60 s LEU 40 Cb -0.14 -1.60 0.01 0.00 0.50 0.00 0.00 46.19 44.96 1x60 s LEU 40 CO -0.12 0.09 0.78 -0.22 -1.32 0.00 0.00 176.35 175.55 1x60 s LEU 41 N 0.79 4.12 0.36 -0.68 2.96 -1.26 -0.81 118.68 124.17 1x60 s LEU 41 Ca -0.05 0.42 0.07 0.00 -0.22 0.00 0.00 54.13 54.35 1x60 s LEU 41 Cb -0.15 -3.03 -0.00 0.00 0.50 0.00 0.00 46.19 43.51 1x60 s LEU 41 CO 0.01 -0.70 0.50 -1.59 -1.32 0.00 0.00 176.35 173.24 1x60 s LYS 42 N 3.05 3.03 0.00 1.98 0.00 0.22 -4.93 119.74 123.08 1x60 s LYS 42 Ca 0.31 -1.08 -0.14 0.00 0.00 0.00 0.00 55.97 55.06 1x60 s LYS 42 Cb -0.13 -2.80 -0.17 0.00 0.00 0.00 0.00 37.83 34.73 1x60 s LYS 42 CO 0.16 -0.03 1.11 -0.25 0.00 0.00 0.00 175.35 176.33 1x60 n ASP 43 N -1.70 0.32 0.00 0.03 9.92 -1.26 -2.03 116.55 121.83 1x60 n ASP 43 Ca 0.02 -1.88 0.00 0.00 -0.53 0.00 0.00 54.79 52.40 1x60 n ASP 43 Cb 0.58 -0.38 0.00 0.00 -0.64 0.00 0.00 41.12 40.68 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 4.25 1.31 3.16 0.44 0.00 -1.26 -5.13 105.19 107.95 1x60 n GLY 44 Ca 0.22 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.15 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 1.90 -0.13 0.99 1.43 -0.86 -4.55 118.68 117.46 1x60 s LEU 45 Ca 0.00 -0.93 -0.02 0.00 -1.03 0.00 0.00 54.13 52.15 1x60 s LEU 45 Cb 0.00 0.55 -0.02 0.00 0.03 0.00 0.00 46.19 46.74 1x60 s LEU 45 CO 0.00 -0.69 -0.08 -0.31 0.23 0.00 0.00 176.35 175.50 1x60 s TYR 46 N -3.93 2.93 0.07 0.29 1.51 0.22 0.68 117.35 119.12 1x60 s TYR 46 Ca 0.11 -0.35 0.03 0.00 -1.01 0.00 0.00 57.07 55.85 1x60 s TYR 46 Cb 0.07 -1.87 -0.04 0.00 -0.11 0.00 0.00 41.96 40.01 1x60 s TYR 46 CO -0.07 -0.02 0.05 0.15 -1.11 0.00 0.00 175.55 174.54 1x60 s LYS 47 N 0.13 2.77 -0.30 -0.62 3.01 0.01 0.13 119.74 124.88 1x60 s LYS 47 Ca -0.03 -0.72 0.02 0.00 -1.01 0.00 0.00 55.97 54.23 1x60 s LYS 47 Cb -0.14 -2.67 0.08 0.00 -1.01 0.00 0.00 37.83 34.09 1x60 s LYS 47 CO 0.04 0.57 0.00 0.08 0.51 0.00 0.00 175.35 176.54 1x60 s VAL 48 N -1.33 1.89 -0.03 3.17 1.01 0.15 -1.70 120.40 123.56 1x60 s VAL 48 Ca 0.27 -1.81 0.01 0.00 0.00 0.00 0.00 61.98 60.45 1x60 s VAL 48 Cb -0.12 -2.25 -0.03 0.00 0.00 0.00 0.00 36.38 33.97 1x60 s VAL 48 CO 0.19 -0.38 -0.04 -1.58 0.00 0.00 0.00 175.10 173.30 1x60 s GLN 49 N 1.16 2.72 -0.06 2.72 0.74 0.11 -1.94 119.66 125.11 1x60 s GLN 49 Ca 0.03 -0.61 -0.00 0.00 0.05 0.00 0.00 55.36 54.83 1x60 s GLN 49 Cb -0.19 -2.61 0.03 0.00 1.10 0.00 0.00 33.01 31.34 1x60 s GLN 49 CO -0.09 0.64 -0.02 0.96 -0.55 0.00 0.00 175.29 176.23 1x60 s ILE 50 N -0.96 0.44 -0.00 -2.34 -5.25 0.33 0.23 121.20 113.65 1x60 s ILE 50 Ca 0.16 0.02 -0.00 0.00 -0.99 0.00 0.00 60.65 59.85 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 0.06 0.25 0.00 0.61 -1.79 0.00 0.00 174.94 174.07 1x60 n GLY 51 N 4.73 -2.90 3.03 6.27 0.00 -0.69 -3.01 105.19 112.62 1x60 n GLY 51 Ca -0.14 -0.46 -0.29 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 -0.00 1.73 0.24 4.61 0.00 -1.26 -0.96 121.76 126.11 1x60 s ALA 52 Ca -0.00 -0.79 -0.02 0.00 0.00 0.00 0.00 51.96 51.15 1x60 s ALA 52 Cb 0.00 -0.93 -0.03 0.00 0.00 0.00 0.00 23.12 22.16 1x60 s ALA 52 CO 0.00 -0.23 0.24 -0.06 0.00 0.00 0.00 175.76 175.71 1x60 s PHE 53 N 1.26 1.09 -0.58 0.00 0.40 -0.20 -5.00 117.98 114.95 1x60 s PHE 53 Ca -0.01 -1.29 0.24 0.00 -0.60 0.00 0.00 56.93 55.27 1x60 s PHE 53 Cb -0.14 -0.40 0.50 0.00 0.51 0.00 0.00 43.02 43.49 1x60 s PHE 53 CO -0.06 -0.78 1.57 0.77 0.70 0.00 0.00 175.22 177.42 1x60 h SER 54 N 2.44 0.00 -3.38 1.36 0.02 -1.95 -2.09 113.55 109.96 1x60 h SER 54 Ca -0.32 -0.04 -0.66 0.00 -0.84 0.00 0.00 61.79 59.93 1x60 h SER 54 Cb 1.25 0.00 -0.27 0.00 0.14 0.00 0.00 62.40 63.52 1x60 h SER 54 CO 0.46 0.02 -0.77 -0.55 -1.14 0.00 0.00 176.83 174.85 1x60 s SER 55 N -5.10 4.01 0.31 3.07 0.15 -1.26 -4.65 113.70 110.23 1x60 s SER 55 Ca 0.08 -0.32 0.01 0.00 0.70 0.00 0.00 55.95 56.42 1x60 s SER 55 Cb 0.10 -1.55 0.56 0.00 -1.71 0.00 0.00 66.02 63.42 1x60 s SER 55 CO 0.66 0.18 1.93 0.50 1.20 0.00 0.00 173.24 177.71 1x60 h LYS 56 N 6.59 0.96 -1.31 5.44 3.64 -1.89 -1.65 116.57 128.36 1x60 h LYS 56 Ca -0.27 -0.06 0.38 0.00 -1.27 0.00 0.00 60.65 59.43 1x60 h LYS 56 Cb 1.21 -0.22 -0.07 0.00 -0.41 0.00 0.00 32.23 32.75 1x60 h LYS 56 CO 0.55 0.63 0.92 0.22 -2.27 0.00 0.00 179.45 179.51 1x60 h ASP 57 N 0.99 0.08 -0.02 4.20 1.82 -1.97 0.38 116.42 121.90 1x60 h ASP 57 Ca 0.36 0.02 -0.03 0.00 -0.39 0.00 0.00 57.03 56.99 1x60 h ASP 57 Cb 0.15 0.01 0.00 0.00 0.68 0.00 0.00 39.33 40.17 1x60 h ASP 57 CO -0.12 -0.00 -0.11 0.78 -1.61 0.00 0.00 179.24 178.17 1x60 h ASN 58 N 0.06 0.12 -0.54 2.28 2.35 -1.68 -2.72 115.58 115.45 1x60 h ASN 58 Ca 0.65 -0.70 0.00 0.00 -0.55 0.00 0.00 56.30 55.71 1x60 h ASN 58 Cb 2.44 -0.04 -0.03 0.00 0.05 0.00 0.00 38.32 40.75 1x60 h ASN 58 CO -0.08 0.80 0.35 0.00 -1.65 0.00 0.00 177.43 176.86 1x60 h ALA 59 N 0.32 0.68 0.15 -0.83 0.00 -0.43 -1.33 119.26 117.83 1x60 h ALA 59 Ca -0.01 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1x60 h ALA 59 Cb 0.81 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1x60 h ALA 59 CO 0.02 0.13 -0.11 -0.44 0.00 0.00 0.00 179.25 178.85 1x60 h ASP 60 N 0.73 -0.28 -0.45 0.00 3.32 -0.85 0.28 116.42 119.17 1x60 h ASP 60 Ca 0.20 0.02 0.02 0.00 0.02 0.00 0.00 57.03 57.29 1x60 h ASP 60 Cb -0.07 0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 1x60 h ASP 60 CO -0.04 -0.17 0.30 0.00 -1.72 0.00 0.00 179.24 177.60 1x60 h THR 61 N -0.26 1.08 0.10 0.35 1.03 -1.33 -0.82 112.91 113.06 1x60 h THR 61 Ca -0.01 -0.19 -0.00 0.00 -0.01 0.00 0.00 66.41 66.20 1x60 h THR 61 Cb 0.23 0.48 0.00 0.00 -1.07 0.00 0.00 68.15 67.79 1x60 h THR 61 CO -0.00 0.10 -0.05 0.25 -0.01 0.00 0.00 175.52 175.81 1x60 h LEU 62 N 0.55 -0.11 0.29 0.00 7.12 -0.74 -2.36 115.31 120.06 1x60 h LEU 62 Ca 0.17 -0.40 0.00 0.00 0.13 0.00 0.00 57.88 57.78 1x60 h LEU 62 Cb 0.02 0.03 -0.03 0.00 -0.53 0.00 0.00 40.66 40.14 1x60 h LEU 62 CO -0.04 0.38 -0.44 0.00 -0.13 0.00 0.00 178.44 178.21 1x60 h ALA 63 N 0.18 -0.88 -0.87 1.25 0.00 -0.03 0.15 119.26 119.06 1x60 h ALA 63 Ca -0.01 -0.12 0.16 0.00 0.00 0.00 0.00 54.91 54.94 1x60 h ALA 63 Cb 0.51 0.68 -0.07 0.00 0.00 0.00 0.00 17.79 18.91 1x60 h ALA 63 CO 0.02 -1.05 0.56 0.00 0.00 0.00 0.00 179.25 178.79 1x60 h ALA 64 N -0.42 2.00 -0.66 0.00 0.00 -1.26 0.31 119.26 119.23 1x60 h ALA 64 Ca -0.01 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1x60 h ALA 64 Cb 0.74 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 1x60 h ALA 64 CO -0.15 -0.25 0.12 -0.09 0.00 0.00 0.00 179.25 178.88 1x60 h ARG 65 N 0.55 1.08 -0.65 0.00 2.43 -0.67 0.19 114.38 117.31 1x60 h ARG 65 Ca 0.44 -0.28 -0.07 0.00 -0.81 0.00 0.00 59.98 59.26 1x60 h ARG 65 Cb 0.88 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 30.27 1x60 h ARG 65 CO -0.18 0.98 0.13 0.00 -1.51 0.00 0.00 179.97 179.38 1x60 h ALA 66 N 1.11 0.86 -0.24 2.80 0.00 0.23 0.83 119.26 124.85 1x60 h ALA 66 Ca 0.20 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1x60 h ALA 66 Cb 0.42 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1x60 h ALA 66 CO 0.01 0.60 0.12 0.87 0.00 0.00 0.00 179.25 180.85 1x60 h LYS 67 N 0.97 0.33 0.00 0.00 1.57 0.19 1.36 116.57 120.99 1x60 h LYS 67 Ca 0.20 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.88 1x60 h LYS 67 Cb 0.40 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 1x60 h LYS 67 CO 0.01 0.32 -0.26 -0.97 -0.57 0.00 0.00 179.45 177.98 1x60 h ASN 68 N 0.26 0.00 1.54 0.86 -1.24 -0.67 -2.31 115.58 114.01 1x60 h ASN 68 Ca 0.08 0.00 -0.03 0.00 0.71 0.00 0.00 56.30 57.06 1x60 h ASN 68 Cb 0.09 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.14 1x60 h ASN 68 CO -0.01 0.26 -0.16 0.00 -1.29 0.00 0.00 177.43 176.23 1x60 h ALA 69 N 1.74 0.92 0.00 1.57 0.00 0.17 -3.47 119.26 120.20 1x60 h ALA 69 Ca -0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1x60 h ALA 69 Cb 0.64 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1x60 h ALA 69 CO 0.03 0.20 0.00 0.41 0.00 0.00 0.00 179.25 179.90 1x60 n GLY 70 N 0.80 1.72 3.15 0.00 0.00 0.39 -5.04 105.19 106.22 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 1.17 -1.21 1.61 0.08 0.44 -4.98 117.98 113.09 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 -0.67 0.20 0.00 -0.57 0.00 0.00 43.02 41.99 1x60 s PHE 71 CO 0.00 0.04 1.58 -3.47 -0.10 0.00 0.00 175.22 173.27 1x60 n ASP 72 N 1.46 5.39 -4.80 1.36 2.03 -1.26 -1.39 116.55 119.34 1x60 n ASP 72 Ca -0.20 -3.11 -0.38 0.00 0.52 0.00 0.00 54.79 51.62 1x60 n ASP 72 Cb 0.54 -1.47 -0.06 0.00 -0.72 0.00 0.00 41.12 39.42 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 3.44 0.06 -1.67 0.00 -1.26 -4.06 121.76 118.36 1x60 s ALA 73 Ca 0.38 0.25 0.03 0.00 0.00 0.00 0.00 51.96 52.63 1x60 s ALA 73 Cb 0.02 -2.88 -0.03 0.00 0.00 0.00 0.00 23.12 20.24 1x60 s ALA 73 CO 0.01 0.31 -0.10 0.96 0.00 0.00 0.00 175.76 176.94 1x60 s ILE 74 N -1.31 0.80 -0.14 0.00 -4.36 0.17 -4.68 121.20 111.67 1x60 s ILE 74 Ca 0.38 -1.30 -0.05 0.00 -0.26 0.00 0.00 60.65 59.43 1x60 s ILE 74 Cb -0.20 -0.94 -0.04 0.00 1.25 0.00 0.00 42.46 42.53 1x60 s ILE 74 CO 0.23 -0.39 0.04 -0.69 0.24 0.00 0.00 174.94 174.38 1x60 s VAL 75 N -1.65 4.66 -0.01 8.37 1.01 -1.26 0.63 120.40 132.15 1x60 s VAL 75 Ca -0.04 -0.10 0.02 0.00 0.00 0.00 0.00 61.98 61.86 1x60 s VAL 75 Cb -0.08 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.26 1x60 s VAL 75 CO 0.01 0.53 -0.05 -0.51 0.00 0.00 0.00 175.10 175.08 1x60 s ILE 76 N -0.24 0.46 -0.48 2.22 -1.16 -0.50 -4.99 121.20 116.51 1x60 s ILE 76 Ca 0.07 -0.22 -0.20 0.00 -0.51 0.00 0.00 60.65 59.80 1x60 s ILE 76 Cb -0.12 -0.41 0.04 0.00 0.61 0.00 0.00 42.46 42.58 1x60 s ILE 76 CO 0.02 0.14 0.63 -0.22 -2.81 0.00 0.00 174.94 172.70 1x60 s LEU 77 N 0.07 4.76 -0.57 8.50 2.96 -1.25 -2.43 118.68 130.71 1x60 s LEU 77 Ca -0.00 -0.67 -0.22 0.00 -0.22 0.00 0.00 54.13 53.01 1x60 s LEU 77 Cb -0.05 -2.55 0.06 0.00 0.50 0.00 0.00 46.19 44.15 1x60 s LEU 77 CO -0.00 -0.84 0.86 -1.61 -1.32 0.00 0.00 176.35 173.43 1x60 s GLU 78 N 2.72 3.21 0.00 1.98 2.02 0.12 -4.73 118.70 124.02 1x60 s GLU 78 Ca 0.18 -0.62 0.25 0.00 0.02 0.00 0.00 54.97 54.81 1x60 s GLU 78 Cb -0.17 -4.12 1.51 0.00 0.10 0.00 0.00 34.13 31.45 1x60 s GLU 78 CO 0.15 -1.51 1.87 -1.13 0.02 0.00 0.00 175.26 174.65