#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 0.27 0.00 1.47 2.20 -1.26 -5.05 119.74 117.37 1x60 s LYS 2 Ca 0.00 0.41 0.00 0.00 -0.36 0.00 0.00 55.97 56.02 1x60 s LYS 2 Cb 0.00 0.22 0.00 0.00 -1.51 0.00 0.00 37.83 36.54 1x60 s LYS 2 CO 0.00 -0.37 0.00 1.17 -0.36 0.00 0.00 175.35 175.79 1x60 n LYS 3 N 5.37 0.00 0.00 4.03 4.81 -1.26 -5.01 118.16 126.10 1x60 n LYS 3 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.43 1x60 n LYS 3 Cb 0.54 -0.37 0.00 0.00 0.02 0.00 0.00 35.03 35.23 1x60 n LYS 3 CO 0.00 0.00 0.00 -2.37 1.17 0.00 0.00 177.40 176.20 1x60 n THR 4 N -2.32 0.00 -1.67 3.15 5.66 -1.26 -5.06 114.28 112.78 1x60 n THR 4 Ca 0.00 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.58 1x60 n THR 4 Cb 0.16 -0.51 -0.03 0.00 -1.55 0.00 0.00 70.33 68.40 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 -2.30 4.12 -3.60 1.09 2.88 -1.26 -4.96 113.62 109.59 1x60 n SER 5 Ca 0.00 0.93 -0.15 0.00 -1.33 0.00 0.00 58.87 58.31 1x60 n SER 5 Cb 0.11 -1.53 -0.06 0.00 -0.75 0.00 0.00 64.21 61.98 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 3.98 -0.46 -0.21 -3.46 0.01 -1.26 -4.91 113.70 107.39 1x60 s SER 6 Ca 0.87 0.37 -0.04 0.00 1.31 0.00 0.00 55.95 58.46 1x60 s SER 6 Cb -0.46 0.47 -0.01 0.00 0.21 0.00 0.00 66.02 66.23 1x60 s SER 6 CO 0.41 -0.61 -0.04 -0.44 0.41 0.00 0.00 173.24 172.97 1x60 s SER 7 N -1.51 4.37 0.00 2.44 0.01 -1.26 -5.04 113.70 112.71 1x60 s SER 7 Ca -0.10 -0.35 0.00 0.00 1.31 0.00 0.00 55.95 56.81 1x60 s SER 7 Cb -0.01 -1.74 0.00 0.00 0.21 0.00 0.00 66.02 64.47 1x60 s SER 7 CO 0.04 0.01 0.00 0.61 0.41 0.00 0.00 173.24 174.32 1x60 n GLY 8 N 4.58 3.50 3.02 3.44 0.00 -1.26 -4.82 105.19 113.66 1x60 n GLY 8 Ca -0.18 -1.77 -0.12 0.00 0.00 0.00 0.00 46.02 43.95 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 1.47 -0.44 0.99 1.43 0.32 -4.83 118.68 117.62 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 0.49 0.06 0.00 0.03 0.00 0.00 46.19 46.77 1x60 s LEU 9 CO 0.00 -0.06 0.33 -0.31 0.23 0.00 0.00 176.35 176.54 1x60 s TYR 10 N 0.01 3.26 0.13 0.29 2.02 -0.82 -1.87 117.35 120.37 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 -0.01 -2.94 -0.04 0.00 -0.40 0.00 0.00 41.96 38.56 1x60 s TYR 10 CO 0.00 -0.75 -0.18 0.15 -1.57 0.00 0.00 175.55 173.20 1x60 s LYS 11 N 1.60 1.16 -0.10 -0.62 1.02 -1.03 -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 -1.24 -0.03 0.00 -0.52 0.00 0.00 37.83 35.81 1x60 s LYS 11 CO 0.06 0.26 0.02 0.08 -0.92 0.00 0.00 175.35 174.85 1x60 s VAL 12 N -1.75 4.43 -0.04 3.17 1.01 -0.19 -1.46 120.40 125.57 1x60 s VAL 12 Ca 0.11 -0.20 0.02 0.00 0.00 0.00 0.00 61.98 61.91 1x60 s VAL 12 Cb -0.07 -2.88 0.01 0.00 0.00 0.00 0.00 36.38 33.43 1x60 s VAL 12 CO 0.05 0.59 -0.09 -1.58 0.00 0.00 0.00 175.10 174.07 1x60 s GLN 13 N -0.70 1.06 0.00 2.72 0.74 0.21 0.12 119.66 123.81 1x60 s GLN 13 Ca 0.11 -0.28 0.14 0.00 0.05 0.00 0.00 55.36 55.39 1x60 s GLN 13 Cb -0.12 -0.97 -0.01 0.00 1.10 0.00 0.00 33.01 33.01 1x60 s GLN 13 CO 0.02 0.05 0.78 0.44 -0.55 0.00 0.00 175.29 176.03 1x60 n ILE 14 N 3.55 0.00 0.00 -2.34 -0.00 -0.77 0.33 119.36 120.13 1x60 n ILE 14 Ca -0.21 -0.34 0.00 0.00 -0.00 0.00 0.00 62.75 62.20 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 1.08 1.55 3.28 3.28 0.00 -1.23 -4.55 105.19 108.61 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 -0.96 -0.01 4.61 0.00 -1.26 0.18 121.76 122.33 1x60 s ALA 16 Ca 0.00 0.83 -0.19 0.00 0.00 0.00 0.00 51.96 52.59 1x60 s ALA 16 Cb 0.00 -0.33 0.04 0.00 0.00 0.00 0.00 23.12 22.83 1x60 s ALA 16 CO 0.00 -0.23 0.42 -0.06 0.00 0.00 0.00 175.76 175.89 1x60 s PHE 17 N -0.47 -0.31 -0.10 0.00 0.40 0.29 -4.89 117.98 112.90 1x60 s PHE 17 Ca -0.06 0.46 0.23 0.00 -0.60 0.00 0.00 56.93 56.97 1x60 s PHE 17 Cb -0.04 0.20 1.27 0.00 0.51 0.00 0.00 43.02 44.96 1x60 s PHE 17 CO 0.03 -0.48 1.71 1.57 0.70 0.00 0.00 175.22 178.74 1x60 h LYS 18 N 3.47 0.00 -5.24 0.44 2.10 -1.84 0.71 116.57 116.21 1x60 h LYS 18 Ca -0.29 0.00 -0.63 0.00 -2.00 0.00 0.00 60.65 57.73 1x60 h LYS 18 Cb 1.17 0.00 -0.20 0.00 -0.90 0.00 0.00 32.23 32.31 1x60 h LYS 18 CO 0.41 0.00 -0.62 0.08 -2.00 0.00 0.00 179.45 177.31 1x60 s VAL 19 N -3.60 4.29 0.14 0.07 1.01 -1.26 -4.66 120.40 116.39 1x60 s VAL 19 Ca -0.03 -0.21 -0.10 0.00 0.00 0.00 0.00 61.98 61.65 1x60 s VAL 19 Cb 0.07 -2.92 -0.09 0.00 0.00 0.00 0.00 36.38 33.44 1x60 s VAL 19 CO 0.21 0.46 1.42 0.50 0.00 0.00 0.00 175.10 177.69 1x60 h LYS 20 N 6.94 0.80 -0.58 2.72 3.11 -1.95 -2.34 116.57 125.27 1x60 h LYS 20 Ca -0.35 -0.52 0.12 0.00 -2.81 0.00 0.00 60.65 57.09 1x60 h LYS 20 Cb 1.18 0.07 -0.03 0.00 -1.00 0.00 0.00 32.23 32.44 1x60 h LYS 20 CO 0.65 1.15 0.40 0.00 -2.81 0.00 0.00 179.45 178.84 1x60 h ALA 21 N 0.74 2.15 0.01 5.00 0.00 -1.96 0.55 119.26 125.75 1x60 h ALA 21 Ca 0.01 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.71 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 -0.30 -0.90 -0.91 0.00 0.00 0.00 179.25 177.26 1x60 h ASN 22 N 0.29 0.26 0.98 0.00 4.21 -1.90 -2.58 115.58 116.85 1x60 h ASN 22 Ca 0.28 -0.22 -0.05 0.00 1.21 0.00 0.00 56.30 57.52 1x60 h ASN 22 Cb 0.69 -0.08 -0.01 0.00 -1.12 0.00 0.00 38.32 37.81 1x60 h ASN 22 CO -0.06 1.03 -0.22 0.00 -1.29 0.00 0.00 177.43 176.89 1x60 h ALA 23 N 0.95 1.00 0.19 -0.83 0.00 0.43 -2.61 119.26 118.39 1x60 h ALA 23 Ca -0.05 -0.20 -0.31 0.00 0.00 0.00 0.00 54.91 54.36 1x60 h ALA 23 Cb 1.53 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 19.31 1x60 h ALA 23 CO 0.14 0.27 -1.40 0.22 0.00 0.00 0.00 179.25 178.47 1x60 h ASP 24 N 0.00 0.62 -0.56 0.00 3.58 -0.32 -2.61 116.42 117.13 1x60 h ASP 24 Ca -0.00 -0.69 -0.08 0.00 0.42 0.00 0.00 57.03 56.68 1x60 h ASP 24 Cb 0.77 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 41.59 1x60 h ASP 24 CO 0.03 1.54 0.04 -1.28 -2.88 0.00 0.00 179.24 176.69 1x60 h SER 25 N 0.11 0.96 -0.23 2.28 0.87 -1.35 -1.69 113.55 114.50 1x60 h SER 25 Ca -0.21 -0.24 -0.05 0.00 -1.23 0.00 0.00 61.79 60.06 1x60 h SER 25 Cb 2.07 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 63.77 1x60 h SER 25 CO 0.23 0.99 -0.03 0.25 -0.53 0.00 0.00 176.83 177.74 1x60 h LEU 26 N 0.92 0.43 -2.24 2.23 5.85 -1.54 -2.18 115.31 118.78 1x60 h LEU 26 Ca 0.18 -0.35 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 1x60 h LEU 26 Cb 0.48 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.39 1x60 h LEU 26 CO 0.02 0.68 -0.04 0.00 -0.34 0.00 0.00 178.44 178.76 1x60 h ALA 27 N 0.77 1.57 -0.07 1.25 0.00 -1.28 -1.99 119.26 119.50 1x60 h ALA 27 Ca 0.06 -0.03 -0.23 0.00 0.00 0.00 0.00 54.91 54.71 1x60 h ALA 27 Cb 0.48 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.27 1x60 h ALA 27 CO 0.02 0.04 -0.84 1.03 0.00 0.00 0.00 179.25 179.51 1x60 h SER 28 N 0.00 0.86 -0.18 0.00 0.87 -0.90 -2.52 113.55 111.69 1x60 h SER 28 Ca -0.00 -0.69 0.01 0.00 -1.23 0.00 0.00 61.79 59.88 1x60 h SER 28 Cb 0.08 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.77 1x60 h SER 28 CO 0.00 1.42 0.10 -0.55 -0.53 0.00 0.00 176.83 177.28 1x60 h ASN 29 N 0.37 0.16 -0.70 6.23 -1.07 -0.75 -2.15 115.58 117.68 1x60 h ASN 29 Ca -0.08 0.00 -0.03 0.00 0.07 0.00 0.00 56.30 56.26 1x60 h ASN 29 Cb 1.49 -0.03 -0.03 0.00 -2.07 0.00 0.00 38.32 37.67 1x60 h ASN 29 CO 0.17 0.12 0.33 0.00 0.07 0.00 0.00 177.43 178.12 1x60 h ALA 30 N 1.08 1.24 -0.86 4.14 0.00 -1.57 -1.97 119.26 121.32 1x60 h ALA 30 Ca 0.07 -0.15 0.12 0.00 0.00 0.00 0.00 54.91 54.95 1x60 h ALA 30 Cb -0.01 -0.29 -0.06 0.00 0.00 0.00 0.00 17.79 17.43 1x60 h ALA 30 CO -0.03 0.58 0.56 1.49 0.00 0.00 0.00 179.25 181.84 1x60 h GLU 31 N 1.02 0.70 -0.33 0.00 4.81 -0.94 -1.21 114.58 118.62 1x60 h GLU 31 Ca 0.25 -0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.50 1x60 h GLU 31 Cb 0.12 -0.16 -0.06 0.00 0.63 0.00 0.00 28.75 29.28 1x60 h GLU 31 CO -0.03 0.46 -0.06 0.00 -0.73 0.00 0.00 179.01 178.65 1x60 h ALA 32 N 1.59 0.24 0.00 2.92 0.00 -0.83 0.31 119.26 123.50 1x60 h ALA 32 Ca 0.42 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.43 1x60 h ALA 32 Cb 0.61 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 1x60 h ALA 32 CO -0.18 -0.45 -0.10 0.87 0.00 0.00 0.00 179.25 179.40 1x60 h LYS 33 N 0.03 0.00 0.00 0.00 1.79 -1.29 -3.46 116.57 113.64 1x60 h LYS 33 Ca 0.16 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.63 1x60 h LYS 33 Cb 0.24 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.89 1x60 h LYS 33 CO -0.32 0.10 0.00 0.41 -1.08 0.00 0.00 179.45 178.56 1x60 n GLY 34 N -1.14 1.66 3.93 3.86 0.00 0.11 -5.13 105.19 108.49 1x60 n GLY 34 Ca -0.03 0.00 -0.25 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 3.43 -0.85 1.61 0.08 -0.99 -4.99 117.98 114.27 1x60 s PHE 35 Ca 0.00 0.06 -0.23 0.00 0.12 0.00 0.00 56.93 56.89 1x60 s PHE 35 Cb 0.00 -1.62 0.07 0.00 -0.57 0.00 0.00 43.02 40.90 1x60 s PHE 35 CO 0.00 0.50 1.23 -0.51 -0.10 0.00 0.00 175.22 176.34 1x60 s ASP 36 N -3.42 6.38 0.53 1.36 1.01 -1.26 -4.12 116.67 117.16 1x60 s ASP 36 Ca 0.34 -1.26 -0.15 0.00 0.71 0.00 0.00 52.55 52.19 1x60 s ASP 36 Cb -0.10 -2.49 -0.07 0.00 1.01 0.00 0.00 42.92 41.26 1x60 s ASP 36 CO 0.28 -1.47 0.99 -0.94 0.21 0.00 0.00 175.17 174.24 1x60 s SER 37 N 4.10 6.55 -0.20 0.27 1.04 -1.26 -1.91 113.70 122.28 1x60 s SER 37 Ca 0.35 1.53 -0.17 0.00 0.48 0.00 0.00 55.95 58.14 1x60 s SER 37 Cb -0.07 -2.49 0.05 0.00 0.10 0.00 0.00 66.02 63.61 1x60 s SER 37 CO 0.00 -0.63 0.52 -0.51 0.98 0.00 0.00 173.24 173.60 1x60 s ILE 38 N -2.72 -0.00 -0.23 -1.02 2.07 0.10 -4.95 121.20 114.45 1x60 s ILE 38 Ca 0.58 0.01 0.00 0.00 -1.41 0.00 0.00 60.65 59.83 1x60 s ILE 38 Cb -0.10 -0.74 0.03 0.00 0.13 0.00 0.00 42.46 41.78 1x60 s ILE 38 CO 0.36 0.01 -0.11 -0.69 -1.91 0.00 0.00 174.94 172.59 1x60 s VAL 39 N 0.56 2.49 -0.06 4.00 1.01 -1.25 -1.09 120.40 126.05 1x60 s VAL 39 Ca -0.02 -1.12 0.06 0.00 0.00 0.00 0.00 61.98 60.90 1x60 s VAL 39 Cb -0.04 -2.24 -0.01 0.00 0.00 0.00 0.00 36.38 34.08 1x60 s VAL 39 CO -0.03 0.26 -0.25 -0.22 0.00 0.00 0.00 175.10 174.86 1x60 s LEU 40 N 1.27 2.09 -0.30 3.92 2.96 -0.79 -4.90 118.68 122.93 1x60 s LEU 40 Ca -0.00 -0.51 -0.16 0.00 -0.22 0.00 0.00 54.13 53.24 1x60 s LEU 40 Cb -0.16 -1.38 -0.02 0.00 0.50 0.00 0.00 46.19 45.12 1x60 s LEU 40 CO -0.07 0.24 0.43 -0.22 -1.32 0.00 0.00 176.35 175.41 1x60 s LEU 41 N -0.12 4.17 0.14 -0.68 2.96 -1.26 -0.03 118.68 123.86 1x60 s LEU 41 Ca -0.05 0.18 0.06 0.00 -0.22 0.00 0.00 54.13 54.11 1x60 s LEU 41 Cb -0.14 -2.50 -0.04 0.00 0.50 0.00 0.00 46.19 44.01 1x60 s LEU 41 CO 0.04 -0.30 0.00 -1.59 -1.32 0.00 0.00 176.35 173.18 1x60 s LYS 42 N 2.19 2.46 0.00 1.98 0.00 0.23 -4.94 119.74 121.66 1x60 s LYS 42 Ca 0.17 -1.00 0.00 0.00 0.00 0.00 0.00 55.97 55.13 1x60 s LYS 42 Cb -0.16 -2.43 0.00 0.00 0.00 0.00 0.00 37.83 35.24 1x60 s LYS 42 CO 0.11 0.49 0.00 -0.25 0.00 0.00 0.00 175.35 175.69 1x60 n ASP 43 N 0.13 0.00 0.00 0.03 8.00 -1.26 0.12 116.55 123.57 1x60 n ASP 43 Ca -0.10 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.40 1x60 n ASP 43 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.64 1x60 n ASP 43 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1x60 n GLY 44 N 0.00 -2.20 3.54 0.44 0.00 -1.26 -5.10 105.19 100.61 1x60 n GLY 44 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.13 2.83 -0.07 0.99 1.43 0.32 -4.51 118.68 119.54 1x60 s LEU 45 Ca 0.00 -0.90 0.03 0.00 -1.03 0.00 0.00 54.13 52.23 1x60 s LEU 45 Cb 0.00 -1.32 -0.02 0.00 0.03 0.00 0.00 46.19 44.88 1x60 s LEU 45 CO 0.00 -0.00 -0.16 -0.31 0.23 0.00 0.00 176.35 176.11 1x60 s TYR 46 N -2.45 2.67 0.08 0.29 1.51 0.25 0.75 117.35 120.45 1x60 s TYR 46 Ca 0.31 -0.39 0.04 0.00 -1.01 0.00 0.00 57.07 56.02 1x60 s TYR 46 Cb -0.05 -1.68 -0.04 0.00 -0.11 0.00 0.00 41.96 40.09 1x60 s TYR 46 CO 0.17 0.01 0.02 0.15 -1.11 0.00 0.00 175.55 174.79 1x60 s LYS 47 N -0.34 2.65 -0.34 -0.62 3.01 0.96 0.10 119.74 125.16 1x60 s LYS 47 Ca 0.03 -0.78 0.03 0.00 -1.01 0.00 0.00 55.97 54.24 1x60 s LYS 47 Cb -0.13 -2.60 0.10 0.00 -1.01 0.00 0.00 37.83 34.20 1x60 s LYS 47 CO 0.02 0.55 0.07 0.08 0.51 0.00 0.00 175.35 176.59 1x60 s VAL 48 N -1.32 2.00 -0.06 3.17 1.01 0.13 -1.89 120.40 123.44 1x60 s VAL 48 Ca 0.26 -2.21 -0.02 0.00 0.00 0.00 0.00 61.98 60.01 1x60 s VAL 48 Cb -0.12 -2.48 -0.04 0.00 0.00 0.00 0.00 36.38 33.75 1x60 s VAL 48 CO 0.19 -0.63 0.06 -1.58 0.00 0.00 0.00 175.10 173.14 1x60 s GLN 49 N 0.98 3.09 -0.07 2.72 0.74 -0.25 -1.85 119.66 125.02 1x60 s GLN 49 Ca 0.11 -0.39 -0.01 0.00 0.05 0.00 0.00 55.36 55.12 1x60 s GLN 49 Cb -0.19 -2.89 0.03 0.00 1.10 0.00 0.00 33.01 31.06 1x60 s GLN 49 CO -0.11 0.69 -0.02 0.96 -0.55 0.00 0.00 175.29 176.27 1x60 s ILE 50 N -1.04 0.49 -0.00 -2.34 -5.25 0.33 0.00 121.20 113.40 1x60 s ILE 50 Ca 0.17 0.01 -0.00 0.00 -0.99 0.00 0.00 60.65 59.85 1x60 s ILE 50 Cb -0.12 -0.60 0.00 0.00 2.95 0.00 0.00 42.46 44.70 1x60 s ILE 50 CO 0.07 0.26 0.00 0.61 -1.79 0.00 0.00 174.94 174.10 1x60 n GLY 51 N 4.83 -2.88 3.01 6.27 0.00 -0.81 -3.24 105.19 112.38 1x60 n GLY 51 Ca -0.12 -0.48 -0.27 0.00 0.00 0.00 0.00 46.02 45.15 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 1.49 0.27 4.61 0.00 -1.26 -1.02 121.76 125.84 1x60 s ALA 52 Ca -0.00 -0.60 -0.02 0.00 0.00 0.00 0.00 51.96 51.34 1x60 s ALA 52 Cb 0.00 -0.78 -0.02 0.00 0.00 0.00 0.00 23.12 22.32 1x60 s ALA 52 CO 0.00 -0.11 0.31 -0.06 0.00 0.00 0.00 175.76 175.90 1x60 s PHE 53 N 1.07 1.09 -0.58 0.00 0.40 -0.10 -5.00 117.98 114.86 1x60 s PHE 53 Ca -0.06 -1.28 0.24 0.00 -0.60 0.00 0.00 56.93 55.23 1x60 s PHE 53 Cb -0.15 -0.33 0.48 0.00 0.51 0.00 0.00 43.02 43.54 1x60 s PHE 53 CO -0.02 -0.87 1.53 0.66 0.70 0.00 0.00 175.22 177.22 1x60 h SER 54 N 2.34 0.00 -3.32 1.36 4.64 -1.95 -2.18 113.55 114.44 1x60 h SER 54 Ca -0.30 -0.06 -0.65 0.00 -0.47 0.00 0.00 61.79 60.31 1x60 h SER 54 Cb 1.24 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 63.08 1x60 h SER 54 CO 0.43 0.03 -0.73 -0.44 -0.87 0.00 0.00 176.83 175.25 1x60 s SER 55 N -4.92 4.27 0.40 4.97 0.01 -1.26 -4.67 113.70 112.50 1x60 s SER 55 Ca 0.07 -0.26 0.10 0.00 1.31 0.00 0.00 55.95 57.17 1x60 s SER 55 Cb 0.11 -1.67 0.90 0.00 0.21 0.00 0.00 66.02 65.57 1x60 s SER 55 CO 0.67 0.16 1.97 0.50 0.41 0.00 0.00 173.24 176.95 1x60 h LYS 56 N 6.73 0.55 -0.88 12.44 3.11 -1.90 -1.17 116.57 135.45 1x60 h LYS 56 Ca -0.28 -0.03 0.23 0.00 -2.81 0.00 0.00 60.65 57.76 1x60 h LYS 56 Cb 1.20 -0.12 -0.05 0.00 -1.00 0.00 0.00 32.23 32.26 1x60 h LYS 56 CO 0.58 0.36 0.61 0.22 -2.81 0.00 0.00 179.45 178.41 1x60 h ASP 57 N 0.56 0.15 -0.01 4.20 3.58 -1.98 0.48 116.42 123.41 1x60 h ASP 57 Ca 0.29 0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.75 1x60 h ASP 57 Cb 0.41 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.45 1x60 h ASP 57 CO -0.09 0.06 -0.03 0.78 -2.88 0.00 0.00 179.24 177.08 1x60 h ASN 58 N 0.15 0.04 -0.66 2.28 2.35 -1.60 -2.57 115.58 115.58 1x60 h ASN 58 Ca 0.44 -0.58 0.00 0.00 -0.55 0.00 0.00 56.30 55.60 1x60 h ASN 58 Cb 1.48 -0.01 -0.03 0.00 0.05 0.00 0.00 38.32 39.80 1x60 h ASN 58 CO -0.07 0.62 0.42 0.00 -1.65 0.00 0.00 177.43 176.74 1x60 h ALA 59 N 0.43 0.83 0.11 -0.83 0.00 -1.19 -1.51 119.26 117.10 1x60 h ALA 59 Ca 0.00 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1x60 h ALA 59 Cb 0.61 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1x60 h ALA 59 CO 0.01 0.29 -0.08 -0.44 0.00 0.00 0.00 179.25 179.02 1x60 h ASP 60 N 0.89 -0.19 -0.78 0.00 5.19 -1.03 0.30 116.42 120.79 1x60 h ASP 60 Ca 0.24 0.01 0.06 0.00 -0.62 0.00 0.00 57.03 56.72 1x60 h ASP 60 Cb -0.06 0.06 -0.05 0.00 0.18 0.00 0.00 39.33 39.46 1x60 h ASP 60 CO -0.05 -0.13 0.51 0.74 -3.12 0.00 0.00 179.24 177.20 1x60 h THR 61 N -0.19 1.06 0.06 0.35 2.02 -1.27 -0.89 112.91 114.05 1x60 h THR 61 Ca -0.01 -0.30 -0.00 0.00 0.77 0.00 0.00 66.41 66.87 1x60 h THR 61 Cb 0.17 0.11 0.00 0.00 -1.74 0.00 0.00 68.15 66.69 1x60 h THR 61 CO 0.00 0.16 -0.03 0.25 0.37 0.00 0.00 175.52 176.27 1x60 h LEU 62 N 0.88 -0.07 0.39 2.58 7.12 -0.79 -2.44 115.31 122.98 1x60 h LEU 62 Ca 0.33 -0.39 -0.01 0.00 0.13 0.00 0.00 57.88 57.95 1x60 h LEU 62 Cb 0.18 0.02 -0.03 0.00 -0.53 0.00 0.00 40.66 40.30 1x60 h LEU 62 CO -0.11 0.36 -0.51 0.00 -0.13 0.00 0.00 178.44 178.06 1x60 h ALA 63 N 0.36 -1.08 -0.91 1.25 0.00 0.04 0.11 119.26 119.03 1x60 h ALA 63 Ca -0.01 -0.17 0.18 0.00 0.00 0.00 0.00 54.91 54.91 1x60 h ALA 63 Cb 0.46 0.77 -0.07 0.00 0.00 0.00 0.00 17.79 18.94 1x60 h ALA 63 CO 0.01 -1.16 0.59 0.00 0.00 0.00 0.00 179.25 178.70 1x60 h ALA 64 N -0.74 1.97 -0.71 0.00 0.00 -1.27 0.32 119.26 118.82 1x60 h ALA 64 Ca -0.04 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1x60 h ALA 64 Cb 0.84 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 1x60 h ALA 64 CO -0.13 -0.25 0.19 -0.09 0.00 0.00 0.00 179.25 178.97 1x60 h ARG 65 N 0.58 1.12 -0.68 0.00 2.43 -0.79 0.02 114.38 117.05 1x60 h ARG 65 Ca 0.48 -0.25 -0.07 0.00 -0.81 0.00 0.00 59.98 59.33 1x60 h ARG 65 Cb 0.94 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 30.31 1x60 h ARG 65 CO -0.22 0.97 0.16 0.00 -1.51 0.00 0.00 179.97 179.37 1x60 h ALA 66 N 1.14 0.90 -0.23 2.80 0.00 0.21 0.79 119.26 124.87 1x60 h ALA 66 Ca 0.23 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1x60 h ALA 66 Cb 0.34 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1x60 h ALA 66 CO -0.00 0.63 0.11 0.87 0.00 0.00 0.00 179.25 180.86 1x60 h LYS 67 N 1.03 0.33 0.00 0.00 1.57 0.07 1.30 116.57 120.87 1x60 h LYS 67 Ca 0.21 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.89 1x60 h LYS 67 Cb 0.38 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 1x60 h LYS 67 CO 0.00 0.33 -0.25 -0.97 -0.57 0.00 0.00 179.45 177.99 1x60 h ASN 68 N 0.25 0.00 1.51 0.86 -1.24 -0.69 -2.35 115.58 113.91 1x60 h ASN 68 Ca 0.08 0.00 -0.04 0.00 0.71 0.00 0.00 56.30 57.05 1x60 h ASN 68 Cb 0.11 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.15 1x60 h ASN 68 CO -0.01 0.25 -0.19 0.00 -1.29 0.00 0.00 177.43 176.19 1x60 h ALA 69 N 1.75 0.91 0.00 1.57 0.00 0.16 -3.47 119.26 120.18 1x60 h ALA 69 Ca -0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1x60 h ALA 69 Cb 0.63 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1x60 h ALA 69 CO 0.03 0.24 0.00 0.41 0.00 0.00 0.00 179.25 179.93 1x60 n GLY 70 N 0.80 1.70 3.17 0.00 0.00 0.33 -5.04 105.19 106.15 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 1.24 -1.20 1.61 0.08 0.42 -4.98 117.98 113.14 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 -0.70 0.21 0.00 -0.57 0.00 0.00 43.02 41.95 1x60 s PHE 71 CO 0.00 0.06 1.57 -3.47 -0.10 0.00 0.00 175.22 173.28 1x60 n ASP 72 N 1.42 5.41 -4.79 1.36 2.03 -1.26 -1.44 116.55 119.28 1x60 n ASP 72 Ca -0.20 -3.11 -0.39 0.00 0.52 0.00 0.00 54.79 51.61 1x60 n ASP 72 Cb 0.54 -1.46 -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 0.03 3.47 0.06 -1.67 0.00 -1.26 -4.05 121.76 118.34 1x60 s ALA 73 Ca 0.38 0.27 0.04 0.00 0.00 0.00 0.00 51.96 52.65 1x60 s ALA 73 Cb 0.02 -2.87 -0.03 0.00 0.00 0.00 0.00 23.12 20.24 1x60 s ALA 73 CO 0.01 0.32 -0.11 0.96 0.00 0.00 0.00 175.76 176.94 1x60 s ILE 74 N -1.20 0.88 -0.13 0.00 -4.36 0.15 -4.67 121.20 111.89 1x60 s ILE 74 Ca 0.35 -1.27 -0.05 0.00 -0.26 0.00 0.00 60.65 59.42 1x60 s ILE 74 Cb -0.21 -0.94 -0.04 0.00 1.25 0.00 0.00 42.46 42.51 1x60 s ILE 74 CO 0.24 -0.33 0.06 -0.69 0.24 0.00 0.00 174.94 174.46 1x60 s VAL 75 N -1.47 4.81 -0.00 8.37 1.01 -1.26 0.67 120.40 132.53 1x60 s VAL 75 Ca -0.04 -0.05 0.01 0.00 0.00 0.00 0.00 61.98 61.90 1x60 s VAL 75 Cb -0.09 -3.09 -0.00 0.00 0.00 0.00 0.00 36.38 33.20 1x60 s VAL 75 CO 0.01 0.57 -0.03 0.27 0.00 0.00 0.00 175.10 175.92 1x60 s ILE 76 N -0.53 0.27 -0.44 2.22 -4.36 -0.54 -4.99 121.20 112.83 1x60 s ILE 76 Ca 0.10 -0.13 -0.12 0.00 -0.26 0.00 0.00 60.65 60.24 1x60 s ILE 76 Cb -0.12 -0.24 0.07 0.00 1.25 0.00 0.00 42.46 43.43 1x60 s ILE 76 CO 0.02 0.08 0.32 -0.22 0.24 0.00 0.00 174.94 175.38 1x60 s LEU 77 N 0.00 5.35 0.07 0.37 2.96 -1.25 -2.46 118.68 123.73 1x60 s LEU 77 Ca 0.00 -1.42 0.08 0.00 -0.22 0.00 0.00 54.13 52.57 1x60 s LEU 77 Cb -0.02 -2.07 -0.03 0.00 0.50 0.00 0.00 46.19 44.56 1x60 s LEU 77 CO -0.00 -0.58 -0.20 -1.61 -1.32 0.00 0.00 176.35 172.63 1x60 s GLU 78 N 1.52 1.20 0.00 1.98 2.02 -0.78 -4.76 118.70 119.87 1x60 s GLU 78 Ca 0.03 -1.04 0.27 0.00 0.02 0.00 0.00 54.97 54.25 1x60 s GLU 78 Cb -0.23 -1.38 0.81 0.00 0.10 0.00 0.00 34.13 33.43 1x60 s GLU 78 CO 0.04 0.33 1.61 0.43 0.02 0.00 0.00 175.26 177.70