#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 0.54 -0.07 1.96 2.36 -1.26 -5.00 119.74 118.28 1x60 s LYS 2 Ca 0.00 0.01 0.00 0.00 -2.55 0.00 0.00 55.97 53.43 1x60 s LYS 2 Cb 0.00 -1.22 -0.04 0.00 -1.05 0.00 0.00 37.83 35.52 1x60 s LYS 2 CO 0.00 -0.39 -0.06 1.63 1.55 0.00 0.00 175.35 178.08 1x60 n LYS 3 N 5.15 0.17 -4.26 4.03 5.02 -1.26 -5.05 118.16 121.95 1x60 n LYS 3 Ca -0.07 0.04 -0.19 0.00 -2.02 0.00 0.00 58.31 56.07 1x60 n LYS 3 Cb 0.49 -1.11 -0.13 0.00 -0.02 0.00 0.00 35.03 34.27 1x60 n LYS 3 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1x60 s THR 4 N -2.13 1.06 -0.47 -0.18 -1.32 -1.26 -5.09 115.64 106.24 1x60 s THR 4 Ca -0.09 -1.10 0.04 0.00 -1.21 0.00 0.00 61.69 59.33 1x60 s THR 4 Cb 0.02 -0.99 0.21 0.00 -1.51 0.00 0.00 72.50 70.24 1x60 s THR 4 CO 0.15 -0.10 0.87 -0.24 -2.21 0.00 0.00 174.62 173.09 1x60 n SER 5 N 1.67 -2.86 -3.56 8.08 2.88 -1.26 -5.16 113.62 113.42 1x60 n SER 5 Ca -0.19 -2.67 -0.16 0.00 -1.33 0.00 0.00 58.87 54.52 1x60 n SER 5 Cb 0.55 1.56 0.09 0.00 -0.75 0.00 0.00 64.21 65.66 1x60 n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1x60 n SER 6 N 2.41 0.66 -3.16 -3.46 7.64 -1.26 -4.43 113.62 112.02 1x60 n SER 6 Ca 0.13 -1.63 -0.21 0.00 1.01 0.00 0.00 58.87 58.17 1x60 n SER 6 Cb 0.60 -0.50 0.06 0.00 -1.01 0.00 0.00 64.21 63.37 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 -3.11 -5.87 0.00 6.43 7.64 -1.26 -4.80 113.62 112.65 1x60 n SER 7 Ca 0.11 -0.44 0.00 0.00 1.01 0.00 0.00 58.87 59.55 1x60 n SER 7 Cb 0.39 -4.51 0.00 0.00 -1.01 0.00 0.00 64.21 59.07 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 -1.78 1.00 3.01 0.23 0.00 -1.26 -4.81 105.19 101.58 1x60 n GLY 8 Ca -0.01 -0.18 -0.12 0.00 0.00 0.00 0.00 46.02 45.70 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 1.40 -0.45 0.99 1.02 0.10 -4.87 118.68 116.88 1x60 s LEU 9 Ca 0.00 0.29 -0.14 0.00 0.02 0.00 0.00 54.13 54.30 1x60 s LEU 9 Cb 0.00 0.48 0.07 0.00 0.02 0.00 0.00 46.19 46.76 1x60 s LEU 9 CO 0.00 -0.06 0.34 -0.31 0.02 0.00 0.00 176.35 176.35 1x60 s TYR 10 N 0.15 3.27 0.13 0.29 2.02 -0.83 -1.16 117.35 121.23 1x60 s TYR 10 Ca -0.01 -1.06 0.08 0.00 -0.37 0.00 0.00 57.07 55.72 1x60 s TYR 10 Cb -0.02 -3.04 -0.04 0.00 -0.40 0.00 0.00 41.96 38.47 1x60 s TYR 10 CO -0.00 -0.79 -0.19 0.15 -1.57 0.00 0.00 175.55 173.15 1x60 s LYS 11 N 1.58 1.19 -0.11 -0.62 1.02 -1.03 -1.08 119.74 120.70 1x60 s LYS 11 Ca 0.04 -1.29 -0.03 0.00 0.02 0.00 0.00 55.97 54.71 1x60 s LYS 11 Cb -0.23 -1.31 -0.03 0.00 -0.52 0.00 0.00 37.83 35.73 1x60 s LYS 11 CO 0.06 0.28 0.01 0.08 -0.92 0.00 0.00 175.35 174.86 1x60 s VAL 12 N -1.68 4.40 -0.03 3.17 1.01 0.19 -1.54 120.40 125.91 1x60 s VAL 12 Ca 0.11 -0.21 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 33.44 1x60 s VAL 12 CO 0.05 0.58 -0.08 -1.58 0.00 0.00 0.00 175.10 174.07 1x60 s GLN 13 N -0.61 0.91 0.00 2.72 0.74 0.18 0.13 119.66 123.73 1x60 s GLN 13 Ca 0.10 -0.25 0.16 0.00 0.05 0.00 0.00 55.36 55.42 1x60 s GLN 13 Cb -0.12 -0.86 -0.01 0.00 1.10 0.00 0.00 33.01 33.13 1x60 s GLN 13 CO 0.02 0.06 0.85 0.44 -0.55 0.00 0.00 175.29 176.11 1x60 n ILE 14 N 3.46 0.00 0.00 -2.34 -0.00 -0.84 0.40 119.36 120.05 1x60 n ILE 14 Ca -0.20 -0.33 0.00 0.00 -0.00 0.00 0.00 62.75 62.22 1x60 n ILE 14 Cb 0.54 1.18 0.00 0.00 -0.00 0.00 0.00 39.64 41.36 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 1.15 0.73 3.29 3.28 0.00 -1.22 -4.54 105.19 107.87 1x60 n GLY 15 Ca 0.07 -1.24 -0.13 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 -0.99 -0.01 4.61 0.00 -1.26 0.32 121.76 122.46 1x60 s ALA 16 Ca 0.00 1.02 -0.12 0.00 0.00 0.00 0.00 51.96 52.86 1x60 s ALA 16 Cb 0.00 -0.53 0.02 0.00 0.00 0.00 0.00 23.12 22.60 1x60 s ALA 16 CO 0.00 -0.21 0.25 -0.06 0.00 0.00 0.00 175.76 175.74 1x60 s PHE 17 N -0.06 -0.11 -0.41 0.00 0.40 0.38 -4.89 117.98 113.29 1x60 s PHE 17 Ca -0.02 0.14 0.18 0.00 -0.60 0.00 0.00 56.93 56.62 1x60 s PHE 17 Cb -0.03 0.05 0.92 0.00 0.51 0.00 0.00 43.02 44.46 1x60 s PHE 17 CO 0.01 -0.35 1.54 1.17 0.70 0.00 0.00 175.22 178.29 1x60 n LYS 18 N 1.36 0.12 -4.05 0.44 4.81 -1.26 0.75 118.16 120.33 1x60 n LYS 18 Ca -0.22 0.57 -0.35 0.00 -0.87 0.00 0.00 58.31 57.45 1x60 n LYS 18 Cb 0.56 -1.85 -0.12 0.00 0.02 0.00 0.00 35.03 33.64 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 -3.40 4.28 0.15 3.15 1.01 -1.26 -4.63 120.40 119.71 1x60 s VAL 19 Ca -0.01 -0.20 -0.11 0.00 0.00 0.00 0.00 61.98 61.66 1x60 s VAL 19 Cb 0.06 -2.94 -0.00 0.00 0.00 0.00 0.00 36.38 33.49 1x60 s VAL 19 CO 0.19 0.43 1.54 0.50 0.00 0.00 0.00 175.10 177.76 1x60 h LYS 20 N 7.27 0.96 -0.50 2.72 3.64 -1.96 -1.65 116.57 127.06 1x60 h LYS 20 Ca -0.36 -0.40 0.10 0.00 -1.27 0.00 0.00 60.65 58.72 1x60 h LYS 20 Cb 1.18 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.94 1x60 h LYS 20 CO 0.63 1.07 0.34 0.00 -2.27 0.00 0.00 179.45 179.23 1x60 h ALA 21 N 0.86 2.13 0.04 5.00 0.00 -1.96 0.43 119.26 125.76 1x60 h ALA 21 Ca 0.11 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.78 1x60 h ALA 21 Cb 0.77 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 1x60 h ALA 21 CO 0.06 -0.25 -1.02 -0.91 0.00 0.00 0.00 179.25 177.14 1x60 h ASN 22 N 0.26 0.36 1.36 0.00 2.35 -1.86 -2.56 115.58 115.48 1x60 h ASN 22 Ca 0.23 -0.32 0.00 0.00 -0.55 0.00 0.00 56.30 55.66 1x60 h ASN 22 Cb 0.58 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.84 1x60 h ASN 22 CO -0.05 1.17 0.00 0.00 -1.65 0.00 0.00 177.43 176.90 1x60 h ALA 23 N 0.79 1.00 0.15 -0.83 0.00 0.39 -2.65 119.26 118.11 1x60 h ALA 23 Ca -0.08 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.51 1x60 h ALA 23 Cb 1.69 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.48 1x60 h ALA 23 CO 0.16 0.00 -1.61 -0.44 0.00 0.00 0.00 179.25 177.36 1x60 h ASP 24 N 0.00 0.50 -0.49 0.00 5.19 -0.23 -2.73 116.42 118.66 1x60 h ASP 24 Ca 0.00 -0.70 -0.09 0.00 -0.62 0.00 0.00 57.03 55.61 1x60 h ASP 24 Cb 0.68 -0.16 -0.02 0.00 0.18 0.00 0.00 39.33 40.01 1x60 h ASP 24 CO 0.00 1.59 -0.05 -1.28 -3.12 0.00 0.00 179.24 176.38 1x60 h SER 25 N 0.09 0.92 0.11 6.45 0.87 -1.39 -1.45 113.55 119.15 1x60 h SER 25 Ca -0.28 -0.27 -0.01 0.00 -1.23 0.00 0.00 61.79 60.01 1x60 h SER 25 Cb 2.06 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 63.77 1x60 h SER 25 CO 0.18 1.01 -0.05 0.25 -0.53 0.00 0.00 176.83 177.68 1x60 h LEU 26 N 0.85 -0.12 -2.44 2.23 5.85 -1.58 -2.41 115.31 117.70 1x60 h LEU 26 Ca 0.15 -0.26 0.02 0.00 0.84 0.00 0.00 57.88 58.63 1x60 h LEU 26 Cb 0.57 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.63 1x60 h LEU 26 CO 0.03 0.20 0.11 0.00 -0.34 0.00 0.00 178.44 178.44 1x60 h ALA 27 N 0.41 1.52 -0.16 1.25 0.00 -1.39 -0.71 119.26 120.17 1x60 h ALA 27 Ca -0.01 -0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.70 1x60 h ALA 27 Cb 0.37 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.17 1x60 h ALA 27 CO 0.02 -0.14 -0.64 0.77 0.00 0.00 0.00 179.25 179.26 1x60 h SER 28 N 0.00 0.84 -0.31 0.00 0.02 -0.84 -2.57 113.55 110.69 1x60 h SER 28 Ca 0.03 -0.61 0.01 0.00 -0.84 0.00 0.00 61.79 60.38 1x60 h SER 28 Cb 0.25 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 1x60 h SER 28 CO -0.00 1.31 0.18 -0.55 -1.14 0.00 0.00 176.83 176.63 1x60 h ASN 29 N 0.42 0.30 -0.85 3.07 7.08 -0.66 -2.31 115.58 122.62 1x60 h ASN 29 Ca -0.03 0.00 -0.02 0.00 -3.08 0.00 0.00 56.30 53.17 1x60 h ASN 29 Cb 1.27 -0.06 -0.04 0.00 -2.08 0.00 0.00 38.32 37.41 1x60 h ASN 29 CO 0.13 0.22 0.46 0.00 -2.08 0.00 0.00 177.43 176.16 1x60 h ALA 30 N 1.14 1.09 -0.86 4.14 0.00 -1.54 -2.00 119.26 121.22 1x60 h ALA 30 Ca 0.12 -0.13 0.12 0.00 0.00 0.00 0.00 54.91 55.02 1x60 h ALA 30 Cb -0.00 -0.34 -0.06 0.00 0.00 0.00 0.00 17.79 17.39 1x60 h ALA 30 CO -0.06 0.60 0.56 1.49 0.00 0.00 0.00 179.25 181.84 1x60 h GLU 31 N 1.19 0.73 -0.27 0.00 4.81 -1.00 -1.15 114.58 118.89 1x60 h GLU 31 Ca 0.30 -0.04 0.05 0.00 -0.13 0.00 0.00 59.36 59.54 1x60 h GLU 31 Cb 0.04 -0.16 -0.05 0.00 0.63 0.00 0.00 28.75 29.20 1x60 h GLU 31 CO -0.05 0.48 -0.06 0.00 -0.73 0.00 0.00 179.01 178.65 1x60 h ALA 32 N 1.59 0.18 0.00 2.92 0.00 -0.87 0.22 119.26 123.30 1x60 h ALA 32 Ca 0.42 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.41 1x60 h ALA 32 Cb 0.56 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 1x60 h ALA 32 CO -0.18 -0.46 -0.10 0.87 0.00 0.00 0.00 179.25 179.38 1x60 h LYS 33 N 0.01 0.00 0.00 0.00 1.79 -1.24 -3.46 116.57 113.68 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 0.19 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.84 1x60 h LYS 33 CO -0.27 0.10 0.00 0.41 -1.08 0.00 0.00 179.45 178.61 1x60 n GLY 34 N -1.14 1.86 3.95 3.86 0.00 0.77 -5.13 105.19 109.36 1x60 n GLY 34 Ca -0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.74 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 3.47 -0.89 1.61 0.08 -0.85 -4.98 117.98 114.43 1x60 s PHE 35 Ca 0.00 0.08 -0.22 0.00 0.12 0.00 0.00 56.93 56.91 1x60 s PHE 35 Cb 0.00 -1.64 0.08 0.00 -0.57 0.00 0.00 43.02 40.89 1x60 s PHE 35 CO 0.00 0.50 1.22 -0.51 -0.10 0.00 0.00 175.22 176.33 1x60 s ASP 36 N -3.40 6.44 0.56 1.36 1.11 -1.26 -4.01 116.67 117.47 1x60 s ASP 36 Ca 0.34 -1.45 -0.14 0.00 0.18 0.00 0.00 52.55 51.49 1x60 s ASP 36 Cb -0.11 -2.48 -0.06 0.00 1.07 0.00 0.00 42.92 41.35 1x60 s ASP 36 CO 0.29 -1.38 1.00 -0.94 1.18 0.00 0.00 175.17 175.31 1x60 s SER 37 N 4.11 6.43 -0.23 0.27 1.04 -1.26 -2.15 113.70 121.90 1x60 s SER 37 Ca 0.35 1.48 -0.21 0.00 0.48 0.00 0.00 55.95 58.05 1x60 s SER 37 Cb -0.06 -2.48 0.06 0.00 0.10 0.00 0.00 66.02 63.64 1x60 s SER 37 CO -0.03 -0.72 0.61 -0.51 0.98 0.00 0.00 173.24 173.57 1x60 s ILE 38 N -2.89 -0.00 -0.24 -1.02 2.07 0.97 -4.95 121.20 115.14 1x60 s ILE 38 Ca 0.57 0.00 -0.01 0.00 -1.41 0.00 0.00 60.65 59.80 1x60 s ILE 38 Cb -0.10 -0.85 0.03 0.00 0.13 0.00 0.00 42.46 41.66 1x60 s ILE 38 CO 0.42 0.00 -0.09 -0.69 -1.91 0.00 0.00 174.94 172.68 1x60 s VAL 39 N 0.36 2.68 -0.19 4.00 1.01 -1.25 -1.10 120.40 125.91 1x60 s VAL 39 Ca -0.00 -1.08 -0.04 0.00 0.00 0.00 0.00 61.98 60.86 1x60 s VAL 39 Cb -0.04 -2.35 -0.02 0.00 0.00 0.00 0.00 36.38 33.97 1x60 s VAL 39 CO 0.00 0.22 -0.03 -0.22 0.00 0.00 0.00 175.10 175.07 1x60 s LEU 40 N 1.30 3.07 -0.36 3.92 2.96 -0.76 -4.88 118.68 123.93 1x60 s LEU 40 Ca -0.00 -0.27 -0.22 0.00 -0.22 0.00 0.00 54.13 53.41 1x60 s LEU 40 Cb -0.16 -1.77 0.01 0.00 0.50 0.00 0.00 46.19 44.77 1x60 s LEU 40 CO -0.06 0.06 0.72 -0.22 -1.32 0.00 0.00 176.35 175.54 1x60 s LEU 41 N 1.02 4.18 0.36 -0.68 2.96 -1.26 -0.56 118.68 124.69 1x60 s LEU 41 Ca 0.01 0.29 0.07 0.00 -0.22 0.00 0.00 54.13 54.28 1x60 s LEU 41 Cb -0.15 -2.93 -0.00 0.00 0.50 0.00 0.00 46.19 43.61 1x60 s LEU 41 CO 0.01 -0.67 0.49 -1.59 -1.32 0.00 0.00 176.35 173.27 1x60 s LYS 42 N 2.93 2.99 0.00 1.98 0.00 0.24 -4.93 119.74 122.96 1x60 s LYS 42 Ca 0.29 -1.11 -0.11 0.00 0.00 0.00 0.00 55.97 55.03 1x60 s LYS 42 Cb -0.14 -2.77 -0.14 0.00 0.00 0.00 0.00 37.83 34.78 1x60 s LYS 42 CO 0.16 -0.05 0.98 -3.47 0.00 0.00 0.00 175.35 172.97 1x60 n ASP 43 N -1.70 0.20 0.00 0.03 2.03 -1.26 -1.93 116.55 113.92 1x60 n ASP 43 Ca 0.03 -1.71 0.00 0.00 0.52 0.00 0.00 54.79 53.63 1x60 n ASP 43 Cb 0.59 -0.34 0.00 0.00 -0.72 0.00 0.00 41.12 40.64 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 4.06 1.30 3.17 0.27 0.00 -1.26 -5.13 105.19 107.60 1x60 n GLY 44 Ca 0.17 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.10 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 1.77 -0.10 0.99 1.43 -0.81 -4.53 118.68 117.42 1x60 s LEU 45 Ca 0.00 -1.05 0.00 0.00 -1.03 0.00 0.00 54.13 52.06 1x60 s LEU 45 Cb 0.00 0.50 -0.02 0.00 0.03 0.00 0.00 46.19 46.70 1x60 s LEU 45 CO 0.00 -0.73 -0.10 -0.31 0.23 0.00 0.00 176.35 175.44 1x60 s TYR 46 N -3.98 2.86 0.06 0.29 1.51 0.23 0.83 117.35 119.14 1x60 s TYR 46 Ca 0.17 -0.31 0.03 0.00 -1.01 0.00 0.00 57.07 55.94 1x60 s TYR 46 Cb 0.07 -1.79 -0.04 0.00 -0.11 0.00 0.00 41.96 40.09 1x60 s TYR 46 CO -0.03 0.04 0.05 0.15 -1.11 0.00 0.00 175.55 174.65 1x60 s LYS 47 N -0.15 2.80 -0.34 -0.62 3.01 0.27 0.14 119.74 124.86 1x60 s LYS 47 Ca 0.01 -0.69 0.04 0.00 -1.01 0.00 0.00 55.97 54.31 1x60 s LYS 47 Cb -0.13 -2.69 0.10 0.00 -1.01 0.00 0.00 37.83 34.10 1x60 s LYS 47 CO 0.03 0.58 0.05 0.08 0.51 0.00 0.00 175.35 176.59 1x60 s VAL 48 N -1.30 2.21 -0.04 3.17 1.01 0.15 -1.82 120.40 123.79 1x60 s VAL 48 Ca 0.26 -2.28 0.01 0.00 0.00 0.00 0.00 61.98 59.97 1x60 s VAL 48 Cb -0.12 -2.63 -0.03 0.00 0.00 0.00 0.00 36.38 33.60 1x60 s VAL 48 CO 0.18 -0.58 -0.03 -1.58 0.00 0.00 0.00 175.10 173.09 1x60 s GLN 49 N 0.94 2.77 -0.06 2.72 0.74 -0.25 -1.98 119.66 124.53 1x60 s GLN 49 Ca 0.10 -0.57 -0.01 0.00 0.05 0.00 0.00 55.36 54.93 1x60 s GLN 49 Cb -0.19 -2.64 0.03 0.00 1.10 0.00 0.00 33.01 31.31 1x60 s GLN 49 CO -0.09 0.65 0.00 0.96 -0.55 0.00 0.00 175.29 176.26 1x60 s ILE 50 N -0.95 0.30 0.00 -2.34 -5.25 0.34 -0.02 121.20 113.28 1x60 s ILE 50 Ca 0.16 0.12 0.00 0.00 -0.99 0.00 0.00 60.65 59.94 1x60 s ILE 50 Cb -0.11 -0.44 0.00 0.00 2.95 0.00 0.00 42.46 44.85 1x60 s ILE 50 CO 0.06 0.23 0.00 0.61 -1.79 0.00 0.00 174.94 174.04 1x60 n GLY 51 N 4.84 -2.63 2.88 6.27 0.00 -0.92 -3.11 105.19 112.54 1x60 n GLY 51 Ca -0.12 -0.56 -0.27 0.00 0.00 0.00 0.00 46.02 45.07 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 1.30 0.26 4.61 0.00 -1.26 -0.64 121.76 126.02 1x60 s ALA 52 Ca 0.00 -0.58 0.02 0.00 0.00 0.00 0.00 51.96 51.40 1x60 s ALA 52 Cb 0.00 -0.95 -0.04 0.00 0.00 0.00 0.00 23.12 22.13 1x60 s ALA 52 CO 0.00 -0.53 0.16 -0.06 0.00 0.00 0.00 175.76 175.33 1x60 s PHE 53 N 1.72 1.42 -0.65 0.00 0.40 -0.24 -5.00 117.98 115.64 1x60 s PHE 53 Ca 0.04 -1.41 0.25 0.00 -0.60 0.00 0.00 56.93 55.21 1x60 s PHE 53 Cb -0.13 -0.70 0.53 0.00 0.51 0.00 0.00 43.02 43.23 1x60 s PHE 53 CO -0.08 -0.62 1.53 1.03 0.70 0.00 0.00 175.22 177.78 1x60 h SER 54 N 2.40 0.00 -3.32 1.36 0.87 -1.95 -2.19 113.55 110.72 1x60 h SER 54 Ca -0.34 -0.09 -0.65 0.00 -1.23 0.00 0.00 61.79 59.48 1x60 h SER 54 Cb 1.25 0.00 -0.25 0.00 -0.44 0.00 0.00 62.40 62.95 1x60 h SER 54 CO 0.51 0.05 -0.73 -0.55 -0.53 0.00 0.00 176.83 175.57 1x60 s SER 55 N -4.57 4.29 0.39 6.23 0.15 -1.26 -4.68 113.70 114.24 1x60 s SER 55 Ca 0.08 -0.27 0.10 0.00 0.70 0.00 0.00 55.95 56.56 1x60 s SER 55 Cb 0.12 -1.68 0.88 0.00 -1.71 0.00 0.00 66.02 63.64 1x60 s SER 55 CO 0.67 0.15 1.93 0.50 1.20 0.00 0.00 173.24 177.68 1x60 h LYS 56 N 6.86 0.58 -0.68 5.44 3.11 -1.89 -0.38 116.57 129.61 1x60 h LYS 56 Ca -0.29 -0.03 0.20 0.00 -2.81 0.00 0.00 60.65 57.71 1x60 h LYS 56 Cb 1.20 -0.13 -0.03 0.00 -1.00 0.00 0.00 32.23 32.27 1x60 h LYS 56 CO 0.58 0.38 0.49 0.38 -2.81 0.00 0.00 179.45 178.48 1x60 h ASP 57 N 0.60 0.00 -0.00 4.20 3.04 -1.98 -0.27 116.42 122.01 1x60 h ASP 57 Ca 0.36 0.00 -0.00 0.00 -3.24 0.00 0.00 57.03 54.14 1x60 h ASP 57 Cb 0.57 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.86 1x60 h ASP 57 CO -0.13 0.00 -0.01 0.78 -2.04 0.00 0.00 179.24 177.84 1x60 h ASN 58 N 0.00 0.02 -0.86 4.15 4.21 -1.44 -2.63 115.58 119.02 1x60 h ASN 58 Ca 0.32 -0.58 -0.01 0.00 1.21 0.00 0.00 56.30 57.25 1x60 h ASN 58 Cb 1.30 -0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 38.46 1x60 h ASN 58 CO -0.00 0.59 0.51 0.00 -1.29 0.00 0.00 177.43 177.24 1x60 h ALA 59 N 0.43 1.10 0.10 -0.83 0.00 -1.25 -1.79 119.26 117.01 1x60 h ALA 59 Ca 0.00 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1x60 h ALA 59 Cb 0.59 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1x60 h ALA 59 CO 0.00 0.57 -0.05 -0.44 0.00 0.00 0.00 179.25 179.34 1x60 h ASP 60 N 1.19 -0.11 -0.79 0.00 3.32 -1.15 0.30 116.42 119.18 1x60 h ASP 60 Ca 0.31 -0.01 0.04 0.00 0.02 0.00 0.00 57.03 57.39 1x60 h ASP 60 Cb -0.04 0.03 -0.05 0.00 0.22 0.00 0.00 39.33 39.50 1x60 h ASP 60 CO -0.06 -0.07 0.52 0.74 -1.72 0.00 0.00 179.24 178.65 1x60 h THR 61 N -0.14 1.11 0.06 0.35 2.02 -1.26 -0.54 112.91 114.50 1x60 h THR 61 Ca -0.01 -0.33 -0.00 0.00 0.77 0.00 0.00 66.41 66.84 1x60 h THR 61 Cb 0.11 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 66.60 1x60 h THR 61 CO 0.02 0.17 -0.03 0.25 0.37 0.00 0.00 175.52 176.31 1x60 h LEU 62 N 0.95 -0.07 0.45 2.58 7.12 -0.93 -2.42 115.31 122.99 1x60 h LEU 62 Ca 0.32 -0.38 -0.01 0.00 0.13 0.00 0.00 57.88 57.94 1x60 h LEU 62 Cb 0.08 0.02 -0.03 0.00 -0.53 0.00 0.00 40.66 40.20 1x60 h LEU 62 CO -0.10 0.36 -0.52 0.00 -0.13 0.00 0.00 178.44 178.05 1x60 h ALA 63 N 0.39 -1.14 -0.93 1.25 0.00 0.01 0.15 119.26 118.99 1x60 h ALA 63 Ca -0.01 -0.18 0.20 0.00 0.00 0.00 0.00 54.91 54.92 1x60 h ALA 63 Cb 0.45 0.77 -0.08 0.00 0.00 0.00 0.00 17.79 18.93 1x60 h ALA 63 CO 0.01 -1.18 0.61 0.00 0.00 0.00 0.00 179.25 178.68 1x60 h ALA 64 N -0.84 2.09 -0.55 0.00 0.00 -1.20 0.46 119.26 119.22 1x60 h ALA 64 Ca -0.06 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 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 -0.40 -0.02 -0.09 0.00 0.00 0.00 179.25 178.65 1x60 h ARG 65 N 0.49 0.96 -0.63 0.00 2.43 -0.77 -0.51 114.38 116.35 1x60 h ARG 65 Ca 0.50 -0.29 -0.06 0.00 -0.81 0.00 0.00 59.98 59.31 1x60 h ARG 65 Cb 1.11 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 30.55 1x60 h ARG 65 CO -0.22 0.96 0.15 0.00 -1.51 0.00 0.00 179.97 179.34 1x60 h ALA 66 N 1.09 0.83 -0.33 2.80 0.00 0.27 0.93 119.26 124.85 1x60 h ALA 66 Ca 0.16 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1x60 h ALA 66 Cb 0.54 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1x60 h ALA 66 CO 0.03 0.55 0.16 0.87 0.00 0.00 0.00 179.25 180.86 1x60 h LYS 67 N 0.93 0.47 0.00 0.00 1.57 0.02 1.25 116.57 120.81 1x60 h LYS 67 Ca 0.20 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.85 1x60 h LYS 67 Cb 0.37 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 1x60 h LYS 67 CO 0.00 0.43 -0.28 -0.97 -0.57 0.00 0.00 179.45 178.06 1x60 h ASN 68 N 0.39 0.00 1.35 0.86 -1.24 -0.79 -2.52 115.58 113.63 1x60 h ASN 68 Ca 0.11 0.00 -0.06 0.00 0.71 0.00 0.00 56.30 57.06 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 0.28 -0.30 0.00 -1.29 0.00 0.00 177.43 176.11 1x60 h ALA 69 N 1.72 0.87 0.00 1.57 0.00 0.19 -3.47 119.26 120.14 1x60 h ALA 69 Ca -0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1x60 h ALA 69 Cb 0.73 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1x60 h ALA 69 CO 0.04 0.37 0.00 0.41 0.00 0.00 0.00 179.25 180.07 1x60 n GLY 70 N 0.76 1.76 3.15 0.00 0.00 0.41 -5.04 105.19 106.24 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 1.19 -1.22 1.61 0.08 0.40 -4.98 117.98 113.06 1x60 s PHE 71 Ca 0.00 -0.42 -0.10 0.00 0.12 0.00 0.00 56.93 56.53 1x60 s PHE 71 Cb 0.00 -0.69 0.20 0.00 -0.57 0.00 0.00 43.02 41.96 1x60 s PHE 71 CO 0.00 0.04 1.62 -3.47 -0.10 0.00 0.00 175.22 173.32 1x60 n ASP 72 N 1.54 5.35 -4.79 1.36 -0.08 -1.26 -1.52 116.55 117.15 1x60 n ASP 72 Ca -0.20 -3.10 -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 0.18 3.40 0.07 -1.67 0.00 -1.26 -4.12 121.76 118.36 1x60 s ALA 73 Ca 0.39 0.31 0.04 0.00 0.00 0.00 0.00 51.96 52.70 1x60 s ALA 73 Cb 0.03 -2.94 -0.03 0.00 0.00 0.00 0.00 23.12 20.19 1x60 s ALA 73 CO 0.01 0.29 -0.11 0.96 0.00 0.00 0.00 175.76 176.91 1x60 s ILE 74 N -1.35 0.87 -0.13 0.00 -4.36 0.16 -4.72 121.20 111.67 1x60 s ILE 74 Ca 0.40 -1.32 -0.04 0.00 -0.26 0.00 0.00 60.65 59.43 1x60 s ILE 74 Cb -0.20 -1.00 -0.04 0.00 1.25 0.00 0.00 42.46 42.48 1x60 s ILE 74 CO 0.24 -0.37 0.03 -0.69 0.24 0.00 0.00 174.94 174.39 1x60 s VAL 75 N -1.63 4.54 -0.01 8.37 1.01 -1.26 0.49 120.40 131.91 1x60 s VAL 75 Ca -0.03 -0.14 0.02 0.00 0.00 0.00 0.00 61.98 61.83 1x60 s VAL 75 Cb -0.08 -2.97 -0.00 0.00 0.00 0.00 0.00 36.38 33.33 1x60 s VAL 75 CO 0.01 0.55 -0.06 0.27 0.00 0.00 0.00 175.10 175.87 1x60 s ILE 76 N -0.33 0.46 -0.47 2.22 -4.36 -0.59 -4.99 121.20 113.13 1x60 s ILE 76 Ca 0.08 -0.23 -0.15 0.00 -0.26 0.00 0.00 60.65 60.09 1x60 s ILE 76 Cb -0.12 -0.40 0.08 0.00 1.25 0.00 0.00 42.46 43.27 1x60 s ILE 76 CO 0.02 0.14 0.39 -0.22 0.24 0.00 0.00 174.94 175.51 1x60 s LEU 77 N -0.03 5.64 -0.37 0.37 2.96 -1.25 -2.45 118.68 123.55 1x60 s LEU 77 Ca 0.01 -1.39 -0.18 0.00 -0.22 0.00 0.00 54.13 52.35 1x60 s LEU 77 Cb -0.03 -2.17 0.00 0.00 0.50 0.00 0.00 46.19 44.49 1x60 s LEU 77 CO -0.00 -0.66 0.50 -1.61 -1.32 0.00 0.00 176.35 173.26 1x60 s GLU 78 N 1.62 3.49 0.00 1.98 2.02 -0.31 -4.74 118.70 122.76 1x60 s GLU 78 Ca 0.04 -0.31 0.17 0.00 0.02 0.00 0.00 54.97 54.89 1x60 s GLU 78 Cb -0.25 -3.85 0.14 0.00 0.10 0.00 0.00 34.13 30.27 1x60 s GLU 78 CO 0.06 -0.71 1.05 0.45 0.02 0.00 0.00 175.26 176.12