#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 4.49 0.02 3.23 2.20 -1.26 -4.98 119.74 123.44 1x60 s LYS 2 Ca 0.00 1.45 -0.03 0.00 -0.36 0.00 0.00 55.97 57.04 1x60 s LYS 2 Cb 0.00 -3.48 0.01 0.00 -1.51 0.00 0.00 37.83 32.85 1x60 s LYS 2 CO 0.00 -0.17 0.13 1.17 -0.36 0.00 0.00 175.35 176.12 1x60 n LYS 3 N 4.33 0.07 0.12 4.03 4.81 -1.26 -5.07 118.16 125.20 1x60 n LYS 3 Ca 0.07 -0.17 -0.12 0.00 -0.87 0.00 0.00 58.31 57.23 1x60 n LYS 3 Cb 0.50 0.24 -0.07 0.00 0.02 0.00 0.00 35.03 35.71 1x60 n LYS 3 CO 0.00 0.00 0.00 1.79 1.17 0.00 0.00 177.40 180.36 1x60 h THR 4 N 1.12 0.67 -3.95 3.15 1.35 -2.11 -3.50 112.91 109.64 1x60 h THR 4 Ca -0.03 -0.84 0.00 0.00 -0.55 0.00 0.00 66.41 64.99 1x60 h THR 4 Cb 0.15 1.06 0.00 0.00 -1.73 0.00 0.00 68.15 67.63 1x60 h THR 4 CO 0.04 0.15 -0.86 -0.24 -0.25 0.00 0.00 175.52 174.37 1x60 n SER 5 N -5.04 -8.30 -3.68 5.36 2.88 -1.26 -5.05 113.62 98.53 1x60 n SER 5 Ca -0.08 1.23 -0.13 0.00 -1.33 0.00 0.00 58.87 58.55 1x60 n SER 5 Cb 0.26 -4.62 -0.13 0.00 -0.75 0.00 0.00 64.21 58.97 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 -0.66 0.23 0.04 -3.46 0.01 -1.26 -5.15 113.70 103.44 1x60 s SER 6 Ca 0.00 0.59 -0.18 0.00 1.31 0.00 0.00 55.95 57.67 1x60 s SER 6 Cb 0.00 0.65 0.03 0.00 0.21 0.00 0.00 66.02 66.92 1x60 s SER 6 CO 0.00 -0.23 0.40 -0.55 0.41 0.00 0.00 173.24 173.28 1x60 s SER 7 N 2.20 -0.27 0.00 2.44 0.15 -1.26 -5.14 113.70 111.82 1x60 s SER 7 Ca -0.01 -0.00 0.00 0.00 0.70 0.00 0.00 55.95 56.64 1x60 s SER 7 Cb -0.12 0.41 0.00 0.00 -1.71 0.00 0.00 66.02 64.61 1x60 s SER 7 CO -0.09 -0.65 0.00 0.61 1.20 0.00 0.00 173.24 174.32 1x60 n GLY 8 N 0.56 -0.32 2.98 9.45 0.00 -1.26 -4.73 105.19 111.87 1x60 n GLY 8 Ca -0.19 -2.13 -0.13 0.00 0.00 0.00 0.00 46.02 43.58 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 1.44 -0.44 0.99 2.01 0.27 -4.87 118.68 118.08 1x60 s LEU 9 Ca 0.00 0.24 -0.13 0.00 0.01 0.00 0.00 54.13 54.25 1x60 s LEU 9 Cb 0.00 0.39 0.06 0.00 0.01 0.00 0.00 46.19 46.65 1x60 s LEU 9 CO 0.00 -0.06 0.33 -0.31 1.01 0.00 0.00 176.35 177.32 1x60 s TYR 10 N 0.22 3.27 0.14 0.29 2.02 -0.83 -0.72 117.35 121.74 1x60 s TYR 10 Ca -0.01 -1.07 0.08 0.00 -0.37 0.00 0.00 57.07 55.70 1x60 s TYR 10 Cb -0.02 -2.98 -0.04 0.00 -0.40 0.00 0.00 41.96 38.52 1x60 s TYR 10 CO -0.01 -0.78 -0.19 0.15 -1.57 0.00 0.00 175.55 173.16 1x60 s LYS 11 N 1.58 1.22 -0.09 -0.62 1.02 -1.02 -0.99 119.74 120.84 1x60 s LYS 11 Ca 0.04 -1.32 -0.02 0.00 0.02 0.00 0.00 55.97 54.69 1x60 s LYS 11 Cb -0.23 -1.34 -0.03 0.00 -0.52 0.00 0.00 37.83 35.71 1x60 s LYS 11 CO 0.06 0.29 0.00 0.08 -0.92 0.00 0.00 175.35 174.85 1x60 s VAL 12 N -1.75 4.30 -0.03 3.17 1.01 0.15 -1.41 120.40 125.85 1x60 s VAL 12 Ca 0.12 -0.25 0.02 0.00 0.00 0.00 0.00 61.98 61.87 1x60 s VAL 12 Cb -0.07 -2.81 0.01 0.00 0.00 0.00 0.00 36.38 33.51 1x60 s VAL 12 CO 0.06 0.61 -0.06 -1.58 0.00 0.00 0.00 175.10 174.12 1x60 s GLN 13 N -0.88 0.73 0.00 2.72 0.74 0.17 0.12 119.66 123.27 1x60 s GLN 13 Ca 0.13 -0.18 0.15 0.00 0.05 0.00 0.00 55.36 55.52 1x60 s GLN 13 Cb -0.11 -0.72 -0.01 0.00 1.10 0.00 0.00 33.01 33.27 1x60 s GLN 13 CO 0.02 0.03 0.82 0.44 -0.55 0.00 0.00 175.29 176.05 1x60 n ILE 14 N 3.52 0.00 0.00 -2.34 -0.00 -0.78 0.47 119.36 120.23 1x60 n ILE 14 Ca -0.20 -0.34 0.00 0.00 -0.00 0.00 0.00 62.75 62.21 1x60 n ILE 14 Cb 0.54 1.18 0.00 0.00 -0.00 0.00 0.00 39.64 41.35 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 1.12 0.49 3.30 3.28 0.00 -1.24 -4.52 105.19 107.62 1x60 n GLY 15 Ca 0.06 -1.31 -0.14 0.00 0.00 0.00 0.00 46.02 44.63 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 -1.93 -1.00 0.00 4.61 0.00 -1.26 0.34 121.76 122.52 1x60 s ALA 16 Ca 0.00 0.64 -0.19 0.00 0.00 0.00 0.00 51.96 52.41 1x60 s ALA 16 Cb 0.00 -0.05 0.04 0.00 0.00 0.00 0.00 23.12 23.10 1x60 s ALA 16 CO 0.00 -0.27 0.41 -0.06 0.00 0.00 0.00 175.76 175.84 1x60 s PHE 17 N -1.07 -0.30 -0.21 0.00 0.40 0.26 -4.90 117.98 112.17 1x60 s PHE 17 Ca -0.11 0.40 0.22 0.00 -0.60 0.00 0.00 56.93 56.83 1x60 s PHE 17 Cb -0.04 0.20 1.17 0.00 0.51 0.00 0.00 43.02 44.86 1x60 s PHE 17 CO 0.05 -0.50 1.67 1.17 0.70 0.00 0.00 175.22 178.31 1x60 n LYS 18 N 0.90 0.14 -4.24 0.44 4.81 -1.26 0.75 118.16 119.70 1x60 n LYS 18 Ca -0.20 0.63 -0.34 0.00 -0.87 0.00 0.00 58.31 57.53 1x60 n LYS 18 Cb 0.58 -1.96 -0.12 0.00 0.02 0.00 0.00 35.03 33.55 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 -3.54 3.98 0.16 3.15 1.01 -1.26 -4.67 120.40 119.23 1x60 s VAL 19 Ca -0.02 -0.32 -0.07 0.00 0.00 0.00 0.00 61.98 61.57 1x60 s VAL 19 Cb 0.06 -2.77 -0.06 0.00 0.00 0.00 0.00 36.38 33.61 1x60 s VAL 19 CO 0.21 0.46 1.47 0.50 0.00 0.00 0.00 175.10 177.75 1x60 h LYS 20 N 7.02 0.74 -0.53 2.72 3.64 -1.95 -2.07 116.57 126.15 1x60 h LYS 20 Ca -0.33 -0.45 0.07 0.00 -1.27 0.00 0.00 60.65 58.67 1x60 h LYS 20 Cb 1.18 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 33.02 1x60 h LYS 20 CO 0.63 1.07 0.35 0.00 -2.27 0.00 0.00 179.45 179.23 1x60 h ALA 21 N 0.84 1.95 -0.01 5.00 0.00 -1.96 0.38 119.26 125.46 1x60 h ALA 21 Ca 0.02 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.72 1x60 h ALA 21 Cb 1.08 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1x60 h ALA 21 CO 0.11 -0.05 -0.86 -0.91 0.00 0.00 0.00 179.25 177.54 1x60 h ASN 22 N 0.42 0.32 1.27 0.00 4.21 -1.90 -2.53 115.58 117.38 1x60 h ASN 22 Ca 0.23 -0.25 0.00 0.00 1.21 0.00 0.00 56.30 57.49 1x60 h ASN 22 Cb 0.38 -0.10 0.00 0.00 -1.12 0.00 0.00 38.32 37.48 1x60 h ASN 22 CO -0.06 1.04 0.00 0.00 -1.29 0.00 0.00 177.43 177.12 1x60 h ALA 23 N 0.94 1.00 0.14 -0.83 0.00 0.14 -2.62 119.26 118.03 1x60 h ALA 23 Ca -0.05 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.54 1x60 h ALA 23 Cb 1.48 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.27 1x60 h ALA 23 CO 0.14 0.00 -1.59 -0.44 0.00 0.00 0.00 179.25 177.35 1x60 h ASP 24 N 0.00 0.46 -0.37 0.00 5.19 -0.24 -2.72 116.42 118.74 1x60 h ASP 24 Ca 0.00 -0.65 -0.11 0.00 -0.62 0.00 0.00 57.03 55.65 1x60 h ASP 24 Cb 0.64 -0.15 -0.02 0.00 0.18 0.00 0.00 39.33 39.98 1x60 h ASP 24 CO 0.00 1.55 -0.17 -1.28 -3.12 0.00 0.00 179.24 176.21 1x60 h SER 25 N 0.08 0.85 0.11 6.45 0.87 -1.36 -1.48 113.55 119.07 1x60 h SER 25 Ca -0.27 -0.29 -0.01 0.00 -1.23 0.00 0.00 61.79 59.99 1x60 h SER 25 Cb 2.04 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 63.77 1x60 h SER 25 CO 0.17 1.01 -0.05 0.25 -0.53 0.00 0.00 176.83 177.67 1x60 h LEU 26 N 0.74 -0.13 -2.41 2.23 5.85 -1.57 -2.37 115.31 117.65 1x60 h LEU 26 Ca 0.11 -0.26 0.02 0.00 0.84 0.00 0.00 57.88 58.60 1x60 h LEU 26 Cb 0.69 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.75 1x60 h LEU 26 CO 0.05 0.19 0.11 0.00 -0.34 0.00 0.00 178.44 178.45 1x60 h ALA 27 N 0.38 1.56 -0.22 1.25 0.00 -1.41 -0.54 119.26 120.28 1x60 h ALA 27 Ca -0.02 -0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.71 1x60 h ALA 27 Cb 0.38 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1x60 h ALA 27 CO 0.03 -0.15 -0.57 1.03 0.00 0.00 0.00 179.25 179.59 1x60 h SER 28 N 0.00 0.88 -0.32 0.00 0.87 -0.83 -2.56 113.55 111.58 1x60 h SER 28 Ca 0.04 -0.57 0.01 0.00 -1.23 0.00 0.00 61.79 60.03 1x60 h SER 28 Cb 0.25 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 61.93 1x60 h SER 28 CO -0.00 1.29 0.20 -0.55 -0.53 0.00 0.00 176.83 177.24 1x60 h ASN 29 N 0.50 0.33 -0.87 6.23 7.08 -0.61 -2.28 115.58 125.97 1x60 h ASN 29 Ca -0.01 -0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.21 1x60 h ASN 29 Cb 1.19 -0.07 -0.04 0.00 -2.08 0.00 0.00 38.32 37.31 1x60 h ASN 29 CO 0.12 0.24 0.55 0.00 -2.08 0.00 0.00 177.43 176.26 1x60 h ALA 30 N 1.13 1.10 -0.85 4.14 0.00 -1.52 -1.69 119.26 121.57 1x60 h ALA 30 Ca 0.12 -0.08 0.12 0.00 0.00 0.00 0.00 54.91 55.08 1x60 h ALA 30 Cb -0.02 -0.35 -0.06 0.00 0.00 0.00 0.00 17.79 17.36 1x60 h ALA 30 CO -0.05 0.53 0.55 1.49 0.00 0.00 0.00 179.25 181.78 1x60 h GLU 31 N 1.18 0.69 -0.22 0.00 4.81 -0.99 -1.32 114.58 118.72 1x60 h GLU 31 Ca 0.31 -0.04 0.05 0.00 -0.13 0.00 0.00 59.36 59.56 1x60 h GLU 31 Cb -0.09 -0.15 -0.06 0.00 0.63 0.00 0.00 28.75 29.08 1x60 h GLU 31 CO -0.06 0.45 -0.14 0.00 -0.73 0.00 0.00 179.01 178.53 1x60 h ALA 32 N 1.60 0.02 0.00 2.92 0.00 -0.84 0.25 119.26 123.21 1x60 h ALA 32 Ca 0.41 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.38 1x60 h ALA 32 Cb 0.60 0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 1x60 h ALA 32 CO -0.17 -0.56 -0.11 0.87 0.00 0.00 0.00 179.25 179.27 1x60 h LYS 33 N -0.13 0.00 0.00 0.00 1.79 -1.27 -3.46 116.57 113.50 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 0.32 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.97 1x60 h LYS 33 CO -0.31 0.11 0.00 0.41 -1.08 0.00 0.00 179.45 178.59 1x60 n GLY 34 N -1.11 1.72 3.93 3.86 0.00 0.88 -5.13 105.19 109.33 1x60 n GLY 34 Ca -0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.77 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 3.39 -0.81 1.61 0.08 -0.84 -4.98 117.98 114.43 1x60 s PHE 35 Ca 0.00 -0.00 -0.21 0.00 0.12 0.00 0.00 56.93 56.84 1x60 s PHE 35 Cb 0.00 -1.56 0.09 0.00 -0.57 0.00 0.00 43.02 40.98 1x60 s PHE 35 CO 0.00 0.47 1.10 -0.51 -0.10 0.00 0.00 175.22 176.18 1x60 s ASP 36 N -3.73 6.39 0.55 1.36 1.01 -1.26 -4.00 116.67 116.99 1x60 s ASP 36 Ca 0.34 -1.43 -0.13 0.00 0.71 0.00 0.00 52.55 52.03 1x60 s ASP 36 Cb -0.09 -2.43 -0.06 0.00 1.01 0.00 0.00 42.92 41.34 1x60 s ASP 36 CO 0.28 -1.32 0.99 -0.94 0.21 0.00 0.00 175.17 174.39 1x60 s SER 37 N 3.81 6.44 -0.22 0.27 1.04 -1.26 -2.42 113.70 121.37 1x60 s SER 37 Ca 0.30 1.46 -0.23 0.00 0.48 0.00 0.00 55.95 57.96 1x60 s SER 37 Cb -0.10 -2.47 0.06 0.00 0.10 0.00 0.00 66.02 63.61 1x60 s SER 37 CO 0.00 -0.70 0.63 -0.51 0.98 0.00 0.00 173.24 173.64 1x60 s ILE 38 N -2.85 0.00 -0.22 -1.02 2.07 0.27 -4.96 121.20 114.49 1x60 s ILE 38 Ca 0.56 -0.01 0.00 0.00 -1.41 0.00 0.00 60.65 59.79 1x60 s ILE 38 Cb -0.10 -0.88 0.03 0.00 0.13 0.00 0.00 42.46 41.63 1x60 s ILE 38 CO 0.41 -0.01 -0.13 -0.69 -1.91 0.00 0.00 174.94 172.62 1x60 s VAL 39 N 0.17 2.44 -0.12 4.00 1.01 -1.25 -1.34 120.40 125.30 1x60 s VAL 39 Ca -0.01 -1.07 0.02 0.00 0.00 0.00 0.00 61.98 60.92 1x60 s VAL 39 Cb -0.04 -2.18 -0.01 0.00 0.00 0.00 0.00 36.38 34.15 1x60 s VAL 39 CO 0.02 0.31 -0.18 -0.22 0.00 0.00 0.00 175.10 175.03 1x60 s LEU 40 N 1.28 2.42 -0.30 3.92 2.96 -0.83 -4.89 118.68 123.24 1x60 s LEU 40 Ca 0.01 -0.45 -0.19 0.00 -0.22 0.00 0.00 54.13 53.28 1x60 s LEU 40 Cb -0.16 -1.52 -0.01 0.00 0.50 0.00 0.00 46.19 45.00 1x60 s LEU 40 CO -0.08 0.15 0.58 -0.22 -1.32 0.00 0.00 176.35 175.46 1x60 s LEU 41 N 0.41 4.15 0.13 -0.68 2.96 -1.26 -0.46 118.68 123.93 1x60 s LEU 41 Ca -0.14 0.38 0.07 0.00 -0.22 0.00 0.00 54.13 54.22 1x60 s LEU 41 Cb -0.17 -2.74 -0.04 0.00 0.50 0.00 0.00 46.19 43.74 1x60 s LEU 41 CO 0.06 -0.43 -0.04 -1.59 -1.32 0.00 0.00 176.35 173.03 1x60 s LYS 42 N 2.50 2.34 0.00 1.98 0.00 0.20 -4.94 119.74 121.82 1x60 s LYS 42 Ca 0.23 -1.02 0.00 0.00 0.00 0.00 0.00 55.97 55.18 1x60 s LYS 42 Cb -0.15 -2.38 0.00 0.00 0.00 0.00 0.00 37.83 35.30 1x60 s LYS 42 CO 0.11 0.49 0.00 -0.25 0.00 0.00 0.00 175.35 175.71 1x60 n ASP 43 N 0.32 0.00 -0.02 0.03 8.00 -1.26 0.12 116.55 123.75 1x60 n ASP 43 Ca -0.11 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.39 1x60 n ASP 43 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.63 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 -2.81 3.56 0.44 0.00 -1.26 -5.10 105.19 100.01 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 -0.01 2.84 -0.06 0.99 1.43 0.33 -4.54 118.68 119.66 1x60 s LEU 45 Ca 0.00 -0.95 0.04 0.00 -1.03 0.00 0.00 54.13 52.19 1x60 s LEU 45 Cb 0.00 -1.29 -0.02 0.00 0.03 0.00 0.00 46.19 44.91 1x60 s LEU 45 CO 0.00 -0.06 -0.18 -0.31 0.23 0.00 0.00 176.35 176.03 1x60 s TYR 46 N -2.48 2.61 0.03 0.29 1.51 0.23 0.60 117.35 120.14 1x60 s TYR 46 Ca 0.32 -0.40 0.03 0.00 -1.01 0.00 0.00 57.07 56.00 1x60 s TYR 46 Cb -0.03 -1.64 -0.04 0.00 -0.11 0.00 0.00 41.96 40.14 1x60 s TYR 46 CO 0.17 0.00 0.01 0.15 -1.11 0.00 0.00 175.55 174.78 1x60 s LYS 47 N -0.41 2.73 -0.36 -0.62 3.01 0.39 0.93 119.74 125.40 1x60 s LYS 47 Ca 0.04 -0.68 0.02 0.00 -1.01 0.00 0.00 55.97 54.34 1x60 s LYS 47 Cb -0.12 -2.64 0.10 0.00 -1.01 0.00 0.00 37.83 34.16 1x60 s LYS 47 CO 0.02 0.59 0.10 0.08 0.51 0.00 0.00 175.35 176.65 1x60 s VAL 48 N -1.18 2.61 -0.09 3.17 1.01 0.15 -1.96 120.40 124.11 1x60 s VAL 48 Ca 0.22 -2.23 -0.03 0.00 0.00 0.00 0.00 61.98 59.94 1x60 s VAL 48 Cb -0.12 -2.86 -0.04 0.00 0.00 0.00 0.00 36.38 33.37 1x60 s VAL 48 CO 0.14 -0.61 0.04 -1.58 0.00 0.00 0.00 175.10 173.09 1x60 s GLN 49 N 0.99 3.11 -0.06 2.72 0.74 -0.45 -1.87 119.66 124.83 1x60 s GLN 49 Ca 0.10 -0.34 -0.01 0.00 0.05 0.00 0.00 55.36 55.16 1x60 s GLN 49 Cb -0.20 -2.90 0.03 0.00 1.10 0.00 0.00 33.01 31.03 1x60 s GLN 49 CO -0.07 0.72 -0.01 0.96 -0.55 0.00 0.00 175.29 176.34 1x60 s ILE 50 N -0.94 0.41 -0.00 -2.34 -5.25 0.33 -0.56 121.20 112.84 1x60 s ILE 50 Ca 0.14 0.06 -0.00 0.00 -0.99 0.00 0.00 60.65 59.86 1x60 s ILE 50 Cb -0.12 -0.53 0.00 0.00 2.95 0.00 0.00 42.46 44.77 1x60 s ILE 50 CO 0.04 0.24 0.00 0.61 -1.79 0.00 0.00 174.94 174.04 1x60 n GLY 51 N 4.80 -2.88 2.87 6.27 0.00 -1.01 -3.07 105.19 112.16 1x60 n GLY 51 Ca -0.13 -0.51 -0.28 0.00 0.00 0.00 0.00 46.02 45.11 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 1.36 0.31 4.61 0.00 -1.26 -0.67 121.76 126.09 1x60 s ALA 52 Ca -0.00 -0.74 0.03 0.00 0.00 0.00 0.00 51.96 51.25 1x60 s ALA 52 Cb 0.00 -1.08 -0.04 0.00 0.00 0.00 0.00 23.12 22.00 1x60 s ALA 52 CO 0.00 -0.76 0.13 -0.06 0.00 0.00 0.00 175.76 175.08 1x60 s PHE 53 N 1.69 1.63 -0.60 0.00 0.40 -0.16 -4.99 117.98 115.95 1x60 s PHE 53 Ca 0.01 -1.29 0.25 0.00 -0.60 0.00 0.00 56.93 55.30 1x60 s PHE 53 Cb -0.15 -0.93 0.50 0.00 0.51 0.00 0.00 43.02 42.95 1x60 s PHE 53 CO -0.08 -0.42 1.53 1.03 0.70 0.00 0.00 175.22 177.99 1x60 h SER 54 N 2.20 0.00 -3.32 1.36 0.87 -1.94 -2.20 113.55 110.51 1x60 h SER 54 Ca -0.35 -0.06 -0.65 0.00 -1.23 0.00 0.00 61.79 59.49 1x60 h SER 54 Cb 1.25 0.00 -0.25 0.00 -0.44 0.00 0.00 62.40 62.96 1x60 h SER 54 CO 0.56 0.03 -0.72 -0.55 -0.53 0.00 0.00 176.83 175.61 1x60 s SER 55 N -4.85 4.33 0.40 6.23 0.15 -1.26 -4.67 113.70 114.03 1x60 s SER 55 Ca 0.07 -0.26 0.10 0.00 0.70 0.00 0.00 55.95 56.57 1x60 s SER 55 Cb 0.11 -1.69 0.90 0.00 -1.71 0.00 0.00 66.02 63.63 1x60 s SER 55 CO 0.67 0.15 1.95 0.50 1.20 0.00 0.00 173.24 177.71 1x60 h LYS 56 N 6.81 0.56 -0.78 5.44 3.11 -1.89 -0.61 116.57 129.21 1x60 h LYS 56 Ca -0.29 -0.03 0.21 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 32.27 1x60 h LYS 56 CO 0.59 0.37 0.55 0.22 -2.81 0.00 0.00 179.45 178.37 1x60 h ASP 57 N 0.57 0.07 -0.00 4.20 1.82 -1.98 -0.03 116.42 121.07 1x60 h ASP 57 Ca 0.32 0.01 -0.00 0.00 -0.39 0.00 0.00 57.03 56.97 1x60 h ASP 57 Cb 0.50 -0.01 0.00 0.00 0.68 0.00 0.00 39.33 40.50 1x60 h ASP 57 CO -0.11 0.03 -0.00 0.78 -1.61 0.00 0.00 179.24 178.32 1x60 h ASN 58 N 0.07 0.01 -0.89 2.28 -0.26 -1.49 -2.65 115.58 112.64 1x60 h ASN 58 Ca 0.37 -0.59 0.01 0.00 -0.56 0.00 0.00 56.30 55.53 1x60 h ASN 58 Cb 1.39 -0.00 -0.04 0.00 -1.06 0.00 0.00 38.32 38.60 1x60 h ASN 58 CO -0.03 0.60 0.59 0.00 -1.06 0.00 0.00 177.43 177.52 1x60 h ALA 59 N 0.41 1.13 0.10 -0.83 0.00 -1.23 -1.62 119.26 117.22 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 0.60 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1x60 h ALA 59 CO 0.00 0.51 -0.05 -0.44 0.00 0.00 0.00 179.25 179.28 1x60 h ASP 60 N 1.19 -0.12 -0.50 0.00 5.19 -1.11 0.28 116.42 121.36 1x60 h ASP 60 Ca 0.33 -0.01 0.01 0.00 -0.62 0.00 0.00 57.03 56.74 1x60 h ASP 60 Cb -0.12 0.03 -0.03 0.00 0.18 0.00 0.00 39.33 39.39 1x60 h ASP 60 CO -0.08 -0.07 0.33 0.71 -3.12 0.00 0.00 179.24 177.02 1x60 h THR 61 N -0.15 1.11 0.08 0.35 1.35 -1.23 -0.40 112.91 114.02 1x60 h THR 61 Ca -0.01 -0.22 -0.00 0.00 -0.55 0.00 0.00 66.41 65.62 1x60 h THR 61 Cb 0.12 0.40 0.00 0.00 -1.73 0.00 0.00 68.15 66.94 1x60 h THR 61 CO 0.02 0.12 -0.04 0.25 -0.25 0.00 0.00 175.52 175.62 1x60 h LEU 62 N 0.65 -0.09 0.38 3.87 7.12 -0.87 -2.39 115.31 123.99 1x60 h LEU 62 Ca 0.19 -0.43 -0.00 0.00 0.13 0.00 0.00 57.88 57.77 1x60 h LEU 62 Cb -0.03 0.02 -0.03 0.00 -0.53 0.00 0.00 40.66 40.10 1x60 h LEU 62 CO -0.04 0.41 -0.47 0.00 -0.13 0.00 0.00 178.44 178.21 1x60 h ALA 63 N 0.22 -1.00 -0.94 1.25 0.00 -0.06 0.15 119.26 118.87 1x60 h ALA 63 Ca -0.01 -0.15 0.18 0.00 0.00 0.00 0.00 54.91 54.93 1x60 h ALA 63 Cb 0.51 0.70 -0.08 0.00 0.00 0.00 0.00 17.79 18.93 1x60 h ALA 63 CO 0.02 -1.11 0.60 0.00 0.00 0.00 0.00 179.25 178.76 1x60 h ALA 64 N -0.62 1.92 -0.64 0.00 0.00 -1.18 0.39 119.26 119.13 1x60 h ALA 64 Ca -0.04 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1x60 h ALA 64 Cb 0.80 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 1x60 h ALA 64 CO -0.11 -0.23 0.12 -0.09 0.00 0.00 0.00 179.25 178.94 1x60 h ARG 65 N 0.61 1.02 -0.63 0.00 2.43 -0.76 -0.15 114.38 116.91 1x60 h ARG 65 Ca 0.50 -0.25 -0.06 0.00 -0.81 0.00 0.00 59.98 59.36 1x60 h ARG 65 Cb 0.96 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 30.35 1x60 h ARG 65 CO -0.25 0.93 0.15 0.00 -1.51 0.00 0.00 179.97 179.29 1x60 h ALA 66 N 1.16 0.84 -0.29 2.80 0.00 0.25 0.90 119.26 124.92 1x60 h ALA 66 Ca 0.20 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1x60 h ALA 66 Cb 0.39 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1x60 h ALA 66 CO 0.01 0.56 0.15 0.87 0.00 0.00 0.00 179.25 180.83 1x60 h LYS 67 N 0.94 0.40 0.00 0.00 1.57 0.09 1.32 116.57 120.89 1x60 h LYS 67 Ca 0.20 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.87 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 0.36 -0.27 -0.97 -0.57 0.00 0.00 179.45 178.00 1x60 h ASN 68 N 0.34 0.00 1.48 0.86 -1.24 -0.72 -2.45 115.58 113.85 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 39.13 1x60 h ASN 68 CO -0.01 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 -3.47 119.26 120.18 1x60 h ALA 69 Ca -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1x60 h ALA 69 Cb 0.69 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1x60 h ALA 69 CO 0.04 0.25 0.00 0.41 0.00 0.00 0.00 179.25 179.95 1x60 n GLY 70 N 0.78 1.75 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 1.18 -1.22 1.61 0.08 0.43 -4.98 117.98 113.07 1x60 s PHE 71 Ca 0.00 -0.41 -0.10 0.00 0.12 0.00 0.00 56.93 56.54 1x60 s PHE 71 Cb 0.00 -0.68 0.19 0.00 -0.57 0.00 0.00 43.02 41.96 1x60 s PHE 71 CO 0.00 0.04 1.66 -3.47 -0.10 0.00 0.00 175.22 173.35 1x60 n ASP 72 N 1.58 5.34 -4.78 1.36 2.03 -1.26 -1.49 116.55 119.33 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 -1.47 -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 0.16 3.43 0.07 -1.67 0.00 -1.26 -4.11 121.76 118.38 1x60 s ALA 73 Ca 0.39 0.35 0.04 0.00 0.00 0.00 0.00 51.96 52.74 1x60 s ALA 73 Cb 0.04 -2.96 -0.03 0.00 0.00 0.00 0.00 23.12 20.18 1x60 s ALA 73 CO 0.01 0.29 -0.12 0.96 0.00 0.00 0.00 175.76 176.90 1x60 s ILE 74 N -1.23 0.97 -0.14 0.00 -5.25 0.18 -4.70 121.20 111.02 1x60 s ILE 74 Ca 0.38 -1.27 -0.06 0.00 -0.99 0.00 0.00 60.65 58.71 1x60 s ILE 74 Cb -0.22 -0.98 -0.04 0.00 2.95 0.00 0.00 42.46 44.17 1x60 s ILE 74 CO 0.25 -0.28 0.06 -0.69 -1.79 0.00 0.00 174.94 172.49 1x60 s VAL 75 N -1.37 4.76 -0.02 8.37 1.01 -1.26 0.46 120.40 132.35 1x60 s VAL 75 Ca -0.03 -0.06 0.02 0.00 0.00 0.00 0.00 61.98 61.90 1x60 s VAL 75 Cb -0.10 -3.09 0.00 0.00 0.00 0.00 0.00 36.38 33.20 1x60 s VAL 75 CO 0.02 0.54 -0.07 0.27 0.00 0.00 0.00 175.10 175.86 1x60 s ILE 76 N -0.27 0.57 -0.48 2.22 -4.36 -0.50 -4.99 121.20 113.39 1x60 s ILE 76 Ca 0.08 -0.26 -0.17 0.00 -0.26 0.00 0.00 60.65 60.04 1x60 s ILE 76 Cb -0.12 -0.52 0.06 0.00 1.25 0.00 0.00 42.46 43.14 1x60 s ILE 76 CO 0.02 0.18 0.48 -0.22 0.24 0.00 0.00 174.94 175.64 1x60 s LEU 77 N 0.15 5.31 -0.26 0.37 2.96 -1.25 -2.44 118.68 123.51 1x60 s LEU 77 Ca -0.02 -1.11 -0.15 0.00 -0.22 0.00 0.00 54.13 52.63 1x60 s LEU 77 Cb -0.06 -2.30 -0.04 0.00 0.50 0.00 0.00 46.19 44.29 1x60 s LEU 77 CO -0.00 -0.73 0.39 -1.61 -1.32 0.00 0.00 176.35 173.08 1x60 s GLU 78 N 2.05 4.03 0.00 1.98 2.02 0.10 -4.75 118.70 124.13 1x60 s GLU 78 Ca 0.09 0.08 0.00 0.00 0.02 0.00 0.00 54.97 55.16 1x60 s GLU 78 Cb -0.22 -3.65 0.00 0.00 0.10 0.00 0.00 34.13 30.37 1x60 s GLU 78 CO 0.09 -0.27 0.22 -1.13 0.02 0.00 0.00 175.26 174.20