#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x60 n LYS 2 N 0.00 0.00 -3.20 1.96 5.02 -1.26 -5.13 118.16 115.55 1x60 n LYS 2 Ca 0.00 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.90 1x60 n LYS 2 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 34.95 1x60 n LYS 2 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1x60 s LYS 3 N -2.00 4.30 0.84 1.97 0.00 -1.26 -5.08 119.74 118.51 1x60 s LYS 3 Ca 0.00 0.82 -0.10 0.00 0.00 0.00 0.00 55.97 56.70 1x60 s LYS 3 Cb 0.00 -3.27 0.15 0.00 0.00 0.00 0.00 37.83 34.71 1x60 s LYS 3 CO 0.00 0.57 1.16 0.99 0.00 0.00 0.00 175.35 178.07 1x60 s THR 4 N -0.91 2.09 0.00 3.79 2.01 -1.26 -5.04 115.64 116.32 1x60 s THR 4 Ca 0.31 -0.22 0.00 0.00 0.31 0.00 0.00 61.69 62.08 1x60 s THR 4 Cb -0.20 -2.86 0.00 0.00 0.01 0.00 0.00 72.50 69.45 1x60 s THR 4 CO 0.20 0.00 0.00 -1.20 -0.69 0.00 0.00 174.62 172.93 1x60 n SER 5 N -3.32 0.00 -4.36 3.53 7.64 -1.26 -5.13 113.62 110.72 1x60 n SER 5 Ca 0.13 0.00 -0.19 0.00 1.01 0.00 0.00 58.87 59.83 1x60 n SER 5 Cb 0.60 0.03 -0.10 0.00 -1.01 0.00 0.00 64.21 63.72 1x60 n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x60 s SER 6 N -4.67 2.40 0.61 6.43 0.01 -1.26 -5.15 113.70 112.06 1x60 s SER 6 Ca 0.00 -1.11 -0.08 0.00 1.31 0.00 0.00 55.95 56.07 1x60 s SER 6 Cb 0.00 -0.10 -0.00 0.00 0.21 0.00 0.00 66.02 66.12 1x60 s SER 6 CO 0.00 -0.31 0.95 -0.44 0.41 0.00 0.00 173.24 173.85 1x60 s SER 7 N -3.34 5.76 0.58 2.44 0.01 -1.26 -4.93 113.70 112.97 1x60 s SER 7 Ca 0.25 0.96 0.00 0.00 1.31 0.00 0.00 55.95 58.47 1x60 s SER 7 Cb 0.02 -1.97 0.00 0.00 0.21 0.00 0.00 66.02 64.28 1x60 s SER 7 CO 0.08 -1.02 0.00 0.61 0.41 0.00 0.00 173.24 173.32 1x60 n GLY 8 N -2.66 -3.79 3.02 3.44 0.00 -1.25 -5.02 105.19 98.93 1x60 n GLY 8 Ca 0.05 -0.94 -0.12 0.00 0.00 0.00 0.00 46.02 45.00 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 -5.97 1.46 -0.44 0.99 1.02 0.31 -4.90 118.68 111.15 1x60 s LEU 9 Ca 0.00 0.28 -0.14 0.00 0.02 0.00 0.00 54.13 54.29 1x60 s LEU 9 Cb 0.00 0.49 0.06 0.00 0.02 0.00 0.00 46.19 46.76 1x60 s LEU 9 CO 0.00 -0.05 0.34 -0.31 0.02 0.00 0.00 176.35 176.34 1x60 s TYR 10 N 0.05 3.26 0.17 0.29 2.02 -0.82 -0.42 117.35 121.91 1x60 s TYR 10 Ca -0.00 -0.95 0.09 0.00 -0.37 0.00 0.00 57.07 55.83 1x60 s TYR 10 Cb -0.01 -2.95 -0.04 0.00 -0.40 0.00 0.00 41.96 38.56 1x60 s TYR 10 CO 0.00 -0.75 -0.19 0.15 -1.57 0.00 0.00 175.55 173.20 1x60 s LYS 11 N 1.61 1.31 -0.04 -0.62 1.02 -1.02 -0.93 119.74 121.08 1x60 s LYS 11 Ca 0.04 -1.44 -0.00 0.00 0.02 0.00 0.00 55.97 54.59 1x60 s LYS 11 Cb -0.23 -1.38 -0.04 0.00 -0.52 0.00 0.00 37.83 35.67 1x60 s LYS 11 CO 0.07 0.28 0.02 0.08 -0.92 0.00 0.00 175.35 174.87 1x60 s VAL 12 N -2.06 4.33 -0.03 3.17 1.01 -0.02 -1.39 120.40 125.41 1x60 s VAL 12 Ca 0.17 -0.42 0.02 0.00 0.00 0.00 0.00 61.98 61.75 1x60 s VAL 12 Cb -0.06 -2.90 0.01 0.00 0.00 0.00 0.00 36.38 33.44 1x60 s VAL 12 CO 0.07 0.47 -0.06 -1.58 0.00 0.00 0.00 175.10 174.00 1x60 s GLN 13 N -1.32 0.83 0.00 2.72 0.74 0.20 0.12 119.66 122.95 1x60 s GLN 13 Ca 0.18 -0.18 0.17 0.00 0.05 0.00 0.00 55.36 55.58 1x60 s GLN 13 Cb -0.12 -0.80 -0.05 0.00 1.10 0.00 0.00 33.01 33.14 1x60 s GLN 13 CO 0.08 0.00 0.83 0.44 -0.55 0.00 0.00 175.29 176.09 1x60 n ILE 14 N 3.68 0.00 0.00 -2.34 -0.00 -0.78 0.38 119.36 120.30 1x60 n ILE 14 Ca -0.22 -0.28 0.00 0.00 -0.00 0.00 0.00 62.75 62.25 1x60 n ILE 14 Cb 0.53 1.15 0.00 0.00 -0.00 0.00 0.00 39.64 41.32 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 1.23 0.88 3.27 3.28 0.00 -1.23 -4.46 105.19 108.15 1x60 n GLY 15 Ca 0.06 -1.18 -0.12 0.00 0.00 0.00 0.00 46.02 44.78 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 -0.99 -0.00 4.61 0.00 -1.26 -0.21 121.76 121.91 1x60 s ALA 16 Ca 0.00 1.26 -0.08 0.00 0.00 0.00 0.00 51.96 53.15 1x60 s ALA 16 Cb 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 23.12 22.37 1x60 s ALA 16 CO 0.00 -0.22 0.15 -0.06 0.00 0.00 0.00 175.76 175.63 1x60 s PHE 17 N 0.69 0.02 -0.33 0.00 0.40 0.56 -4.90 117.98 114.41 1x60 s PHE 17 Ca -0.04 -0.08 0.19 0.00 -0.60 0.00 0.00 56.93 56.40 1x60 s PHE 17 Cb -0.05 -0.03 1.01 0.00 0.51 0.00 0.00 43.02 44.45 1x60 s PHE 17 CO -0.05 -0.28 1.58 1.17 0.70 0.00 0.00 175.22 178.34 1x60 n LYS 18 N 1.52 0.12 -4.14 0.44 4.81 -1.26 0.83 118.16 120.49 1x60 n LYS 18 Ca -0.22 0.60 -0.34 0.00 -0.87 0.00 0.00 58.31 57.48 1x60 n LYS 18 Cb 0.56 -1.89 -0.11 0.00 0.02 0.00 0.00 35.03 33.60 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 -3.46 4.26 0.11 3.15 1.01 -1.26 -4.56 120.40 119.65 1x60 s VAL 19 Ca -0.02 -0.22 -0.14 0.00 0.00 0.00 0.00 61.98 61.61 1x60 s VAL 19 Cb 0.06 -2.91 -0.08 0.00 0.00 0.00 0.00 36.38 33.45 1x60 s VAL 19 CO 0.19 0.45 1.43 0.50 0.00 0.00 0.00 175.10 177.67 1x60 h LYS 20 N 6.99 0.74 -0.77 2.72 3.64 -1.94 -2.26 116.57 125.68 1x60 h LYS 20 Ca -0.35 -0.38 0.19 0.00 -1.27 0.00 0.00 60.65 58.84 1x60 h LYS 20 Cb 1.18 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.96 1x60 h LYS 20 CO 0.65 1.00 0.53 0.00 -2.27 0.00 0.00 179.45 179.36 1x60 h ALA 21 N 0.72 2.38 0.02 5.00 0.00 -1.96 0.87 119.26 126.29 1x60 h ALA 21 Ca 0.05 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.75 1x60 h ALA 21 Cb 0.86 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1x60 h ALA 21 CO 0.07 -0.61 -0.93 -0.91 0.00 0.00 0.00 179.25 176.88 1x60 h ASN 22 N 0.23 0.23 1.36 0.00 2.35 -1.89 -2.64 115.58 115.23 1x60 h ASN 22 Ca 0.38 -0.20 -0.01 0.00 -0.55 0.00 0.00 56.30 55.92 1x60 h ASN 22 Cb 1.15 -0.07 -0.00 0.00 0.05 0.00 0.00 38.32 39.45 1x60 h ASN 22 CO -0.08 1.04 -0.04 0.00 -1.65 0.00 0.00 177.43 176.69 1x60 h ALA 23 N 0.94 0.99 0.19 -0.83 0.00 0.11 -2.57 119.26 118.10 1x60 h ALA 23 Ca -0.05 -0.04 -0.34 0.00 0.00 0.00 0.00 54.91 54.48 1x60 h ALA 23 Cb 1.58 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 19.38 1x60 h ALA 23 CO 0.14 0.06 -1.63 0.22 0.00 0.00 0.00 179.25 178.03 1x60 h ASP 24 N 0.00 0.64 -0.33 0.00 3.58 -0.31 -2.68 116.42 117.33 1x60 h ASP 24 Ca -0.00 -0.85 -0.10 0.00 0.42 0.00 0.00 57.03 56.50 1x60 h ASP 24 Cb 0.74 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 41.56 1x60 h ASP 24 CO 0.01 1.70 -0.13 -1.28 -2.88 0.00 0.00 179.24 176.66 1x60 h SER 25 N 0.11 0.76 0.15 2.28 0.87 -1.44 -1.63 113.55 114.65 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 2.11 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 63.86 1x60 h SER 25 CO 0.20 0.90 -0.07 0.25 -0.53 0.00 0.00 176.83 177.59 1x60 h LEU 26 N 0.69 -0.16 -2.39 2.23 5.85 -1.56 -2.45 115.31 117.51 1x60 h LEU 26 Ca 0.11 -0.25 0.03 0.00 0.84 0.00 0.00 57.88 58.61 1x60 h LEU 26 Cb 0.61 0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.67 1x60 h LEU 26 CO 0.04 0.17 0.12 0.00 -0.34 0.00 0.00 178.44 178.43 1x60 h ALA 27 N 0.27 1.58 -0.21 1.25 0.00 -1.39 -0.61 119.26 120.16 1x60 h ALA 27 Ca -0.02 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.72 1x60 h ALA 27 Cb 0.40 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1x60 h ALA 27 CO 0.03 -0.16 -0.50 1.03 0.00 0.00 0.00 179.25 179.65 1x60 h SER 28 N 0.00 0.81 -0.29 0.00 0.87 -0.92 -2.56 113.55 111.47 1x60 h SER 28 Ca 0.04 -0.56 0.02 0.00 -1.23 0.00 0.00 61.79 60.06 1x60 h SER 28 Cb 0.28 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 61.98 1x60 h SER 28 CO -0.00 1.23 0.15 -0.55 -0.53 0.00 0.00 176.83 177.13 1x60 h ASN 29 N 0.43 0.23 -0.86 6.23 7.08 -0.66 -2.28 115.58 125.75 1x60 h ASN 29 Ca -0.00 0.01 0.01 0.00 -3.08 0.00 0.00 56.30 53.23 1x60 h ASN 29 Cb 1.11 -0.04 -0.04 0.00 -2.08 0.00 0.00 38.32 37.27 1x60 h ASN 29 CO 0.11 0.17 0.57 0.00 -2.08 0.00 0.00 177.43 176.20 1x60 h ALA 30 N 1.14 1.09 -0.85 4.14 0.00 -1.52 -1.70 119.26 121.56 1x60 h ALA 30 Ca 0.12 -0.06 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 17.40 1x60 h ALA 30 CO -0.07 0.51 0.55 1.49 0.00 0.00 0.00 179.25 181.73 1x60 h GLU 31 N 1.17 0.71 -0.23 0.00 4.81 -0.99 -1.28 114.58 118.77 1x60 h GLU 31 Ca 0.32 -0.04 0.05 0.00 -0.13 0.00 0.00 59.36 59.56 1x60 h GLU 31 Cb -0.13 -0.16 -0.06 0.00 0.63 0.00 0.00 28.75 29.04 1x60 h GLU 31 CO -0.07 0.47 -0.13 0.00 -0.73 0.00 0.00 179.01 178.55 1x60 h ALA 32 N 1.59 0.06 0.00 2.92 0.00 -0.84 0.24 119.26 123.23 1x60 h ALA 32 Ca 0.41 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.39 1x60 h ALA 32 Cb 0.57 0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 1x60 h ALA 32 CO -0.17 -0.54 -0.10 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 -1.26 -3.46 116.57 113.54 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 0.30 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.95 1x60 h LYS 33 CO -0.30 0.10 0.00 0.41 -1.08 0.00 0.00 179.45 178.58 1x60 n GLY 34 N -1.13 1.83 3.93 3.86 0.00 0.84 -5.13 105.19 109.39 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 -0.81 1.61 0.08 -0.83 -4.98 117.98 114.45 1x60 s PHE 35 Ca 0.00 0.02 -0.21 0.00 0.12 0.00 0.00 56.93 56.85 1x60 s PHE 35 Cb 0.00 -1.58 0.09 0.00 -0.57 0.00 0.00 43.02 40.96 1x60 s PHE 35 CO 0.00 0.48 1.09 0.34 -0.10 0.00 0.00 175.22 177.03 1x60 s ASP 36 N -3.66 6.39 0.55 1.36 -1.08 -1.26 -3.97 116.67 115.00 1x60 s ASP 36 Ca 0.34 -1.44 -0.14 0.00 -0.52 0.00 0.00 52.55 50.79 1x60 s ASP 36 Cb -0.10 -2.43 -0.06 0.00 -1.46 0.00 0.00 42.92 38.87 1x60 s ASP 36 CO 0.28 -1.31 0.99 -0.94 0.52 0.00 0.00 175.17 174.71 1x60 s SER 37 N 3.81 6.45 -0.22 -0.34 1.04 -1.26 -2.22 113.70 120.96 1x60 s SER 37 Ca 0.29 1.49 -0.18 0.00 0.48 0.00 0.00 55.95 58.03 1x60 s SER 37 Cb -0.10 -2.48 0.06 0.00 0.10 0.00 0.00 66.02 63.60 1x60 s SER 37 CO 0.00 -0.70 0.57 -0.51 0.98 0.00 0.00 173.24 173.58 1x60 s ILE 38 N -2.85 -0.00 -0.28 -1.02 2.07 0.62 -4.95 121.20 114.79 1x60 s ILE 38 Ca 0.57 0.01 -0.02 0.00 -1.41 0.00 0.00 60.65 59.80 1x60 s ILE 38 Cb -0.10 -0.80 0.03 0.00 0.13 0.00 0.00 42.46 41.72 1x60 s ILE 38 CO 0.41 0.01 -0.01 -0.69 -1.91 0.00 0.00 174.94 172.74 1x60 s VAL 39 N 0.65 3.08 -0.21 4.00 1.01 -1.26 -1.07 120.40 126.62 1x60 s VAL 39 Ca -0.03 -1.15 -0.05 0.00 0.00 0.00 0.00 61.98 60.75 1x60 s VAL 39 Cb -0.05 -2.67 -0.03 0.00 0.00 0.00 0.00 36.38 33.64 1x60 s VAL 39 CO -0.04 0.04 0.01 -0.22 0.00 0.00 0.00 175.10 174.89 1x60 s LEU 40 N 1.32 3.30 -0.45 3.92 2.96 -0.79 -4.92 118.68 124.01 1x60 s LEU 40 Ca -0.02 -0.19 -0.25 0.00 -0.22 0.00 0.00 54.13 53.44 1x60 s LEU 40 Cb -0.18 -1.84 0.03 0.00 0.50 0.00 0.00 46.19 44.69 1x60 s LEU 40 CO -0.02 0.06 0.93 -0.22 -1.32 0.00 0.00 176.35 175.77 1x60 s LEU 41 N 1.05 4.00 0.51 -0.68 2.96 -1.26 -1.57 118.68 123.69 1x60 s LEU 41 Ca 0.02 0.17 -0.00 0.00 -0.22 0.00 0.00 54.13 54.09 1x60 s LEU 41 Cb -0.14 -3.20 0.01 0.00 0.50 0.00 0.00 46.19 43.36 1x60 s LEU 41 CO 0.02 -1.03 0.75 -1.59 -1.32 0.00 0.00 176.35 173.17 1x60 s LYS 42 N 3.73 2.84 0.00 1.98 0.00 0.34 -4.91 119.74 123.73 1x60 s LYS 42 Ca 0.37 -0.52 -0.16 0.00 0.00 0.00 0.00 55.97 55.66 1x60 s LYS 42 Cb -0.10 -2.49 -0.20 0.00 0.00 0.00 0.00 37.83 35.04 1x60 s LYS 42 CO 0.26 -0.50 1.21 -0.25 0.00 0.00 0.00 175.35 176.07 1x60 n ASP 43 N -2.26 0.44 0.00 0.03 8.00 -1.26 -1.93 116.55 119.57 1x60 n ASP 43 Ca 0.04 -2.05 0.00 0.00 0.71 0.00 0.00 54.79 53.49 1x60 n ASP 43 Cb 0.58 -0.43 0.00 0.00 -0.02 0.00 0.00 41.12 41.25 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 4.40 1.32 3.15 0.44 0.00 -1.26 -5.12 105.19 108.12 1x60 n GLY 44 Ca 0.25 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.18 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 1.75 -0.09 0.99 1.43 -0.81 -4.59 118.68 117.35 1x60 s LEU 45 Ca 0.00 -0.67 0.01 0.00 -1.03 0.00 0.00 54.13 52.44 1x60 s LEU 45 Cb 0.00 0.74 -0.03 0.00 0.03 0.00 0.00 46.19 46.93 1x60 s LEU 45 CO 0.00 -0.63 -0.09 -0.31 0.23 0.00 0.00 176.35 175.55 1x60 s TYR 46 N -3.43 2.87 0.22 0.29 1.51 0.24 0.13 117.35 119.18 1x60 s TYR 46 Ca 0.02 -0.21 0.11 0.00 -1.01 0.00 0.00 57.07 55.98 1x60 s TYR 46 Cb 0.03 -1.76 -0.05 0.00 -0.11 0.00 0.00 41.96 40.08 1x60 s TYR 46 CO -0.08 0.13 -0.22 0.15 -1.11 0.00 0.00 175.55 174.41 1x60 s LYS 47 N -0.36 1.55 -0.20 -0.62 3.01 -0.61 0.21 119.74 122.72 1x60 s LYS 47 Ca 0.05 -1.61 0.01 0.00 -1.01 0.00 0.00 55.97 53.40 1x60 s LYS 47 Cb -0.12 -1.76 0.05 0.00 -1.01 0.00 0.00 37.83 34.98 1x60 s LYS 47 CO 0.02 0.36 -0.08 0.08 0.51 0.00 0.00 175.35 176.24 1x60 s VAL 48 N -2.04 1.52 -0.04 3.17 1.01 0.71 -1.88 120.40 122.85 1x60 s VAL 48 Ca 0.24 -0.97 0.03 0.00 0.00 0.00 0.00 61.98 61.27 1x60 s VAL 48 Cb -0.07 -1.65 -0.03 0.00 0.00 0.00 0.00 36.38 34.64 1x60 s VAL 48 CO 0.11 0.12 -0.10 -1.58 0.00 0.00 0.00 175.10 173.65 1x60 s GLN 49 N 1.44 2.59 -0.06 2.72 0.74 -0.23 -1.86 119.66 125.00 1x60 s GLN 49 Ca -0.02 -0.66 -0.00 0.00 0.05 0.00 0.00 55.36 54.73 1x60 s GLN 49 Cb -0.16 -2.49 0.03 0.00 1.10 0.00 0.00 33.01 31.49 1x60 s GLN 49 CO -0.08 0.63 -0.01 0.96 -0.55 0.00 0.00 175.29 176.24 1x60 s ILE 50 N -0.84 0.43 0.00 -2.34 -5.25 0.32 -0.27 121.20 113.25 1x60 s ILE 50 Ca 0.13 0.03 0.00 0.00 -0.99 0.00 0.00 60.65 59.83 1x60 s ILE 50 Cb -0.11 -0.54 0.00 0.00 2.95 0.00 0.00 42.46 44.76 1x60 s ILE 50 CO 0.03 0.25 0.00 0.61 -1.79 0.00 0.00 174.94 174.03 1x60 n GLY 51 N 4.75 -2.78 2.90 6.27 0.00 -0.94 -3.12 105.19 112.27 1x60 n GLY 51 Ca -0.14 -0.54 -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 1.38 0.30 4.61 0.00 -1.26 -0.84 121.76 125.95 1x60 s ALA 52 Ca 0.00 -0.64 0.03 0.00 0.00 0.00 0.00 51.96 51.35 1x60 s ALA 52 Cb 0.00 -0.98 -0.04 0.00 0.00 0.00 0.00 23.12 22.10 1x60 s ALA 52 CO 0.00 -0.54 0.16 -0.06 0.00 0.00 0.00 175.76 175.32 1x60 s PHE 53 N 1.68 1.58 -0.55 0.00 0.40 -0.10 -4.99 117.98 116.00 1x60 s PHE 53 Ca 0.04 -1.37 0.24 0.00 -0.60 0.00 0.00 56.93 55.24 1x60 s PHE 53 Cb -0.13 -0.84 0.44 0.00 0.51 0.00 0.00 43.02 43.00 1x60 s PHE 53 CO -0.08 -0.53 1.51 0.66 0.70 0.00 0.00 175.22 177.48 1x60 h SER 54 N 2.23 0.00 -3.32 1.36 4.64 -1.95 -2.17 113.55 114.34 1x60 h SER 54 Ca -0.34 -0.05 -0.65 0.00 -0.47 0.00 0.00 61.79 60.28 1x60 h SER 54 Cb 1.25 0.00 -0.26 0.00 -0.31 0.00 0.00 62.40 63.08 1x60 h SER 54 CO 0.52 0.03 -0.73 -0.55 -0.87 0.00 0.00 176.83 175.22 1x60 s SER 55 N -5.05 4.24 0.41 4.97 0.15 -1.26 -4.68 113.70 112.49 1x60 s SER 55 Ca 0.07 -0.29 0.13 0.00 0.70 0.00 0.00 55.95 56.55 1x60 s SER 55 Cb 0.10 -1.67 0.96 0.00 -1.71 0.00 0.00 66.02 63.70 1x60 s SER 55 CO 0.68 0.14 1.94 0.50 1.20 0.00 0.00 173.24 177.69 1x60 h LYS 56 N 6.93 0.49 -0.82 5.44 3.11 -1.89 -0.53 116.57 129.29 1x60 h LYS 56 Ca -0.30 -0.03 0.21 0.00 -2.81 0.00 0.00 60.65 57.73 1x60 h LYS 56 Cb 1.20 -0.11 -0.04 0.00 -1.00 0.00 0.00 32.23 32.27 1x60 h LYS 56 CO 0.58 0.32 0.57 0.22 -2.81 0.00 0.00 179.45 178.34 1x60 h ASP 57 N 0.50 0.17 -0.01 4.20 3.58 -1.98 -0.46 116.42 122.42 1x60 h ASP 57 Ca 0.34 0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.80 1x60 h ASP 57 Cb 0.63 -0.01 -0.00 0.00 1.72 0.00 0.00 39.33 41.66 1x60 h ASP 57 CO -0.11 0.07 -0.02 0.78 -2.88 0.00 0.00 179.24 177.08 1x60 h ASN 58 N 0.17 0.04 -0.96 2.28 4.21 -1.48 -2.58 115.58 117.26 1x60 h ASN 58 Ca 0.41 -0.54 0.04 0.00 1.21 0.00 0.00 56.30 57.41 1x60 h ASN 58 Cb 1.34 -0.01 -0.06 0.00 -1.12 0.00 0.00 38.32 38.47 1x60 h ASN 58 CO -0.07 0.58 0.62 0.00 -1.29 0.00 0.00 177.43 177.27 1x60 h ALA 59 N 0.47 1.28 -0.00 -0.83 0.00 -1.22 -1.42 119.26 117.53 1x60 h ALA 59 Ca 0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1x60 h ALA 59 Cb 0.57 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1x60 h ALA 59 CO 0.00 0.49 0.00 -0.44 0.00 0.00 0.00 179.25 179.30 1x60 h ASP 60 N 1.20 0.00 -0.51 0.00 5.19 -1.16 0.30 116.42 121.44 1x60 h ASP 60 Ca 0.39 -0.08 0.02 0.00 -0.62 0.00 0.00 57.03 56.73 1x60 h ASP 60 Cb 0.03 -0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.51 1x60 h ASP 60 CO -0.13 0.08 0.34 0.74 -3.12 0.00 0.00 179.24 177.15 1x60 h THR 61 N -0.08 1.09 0.07 0.35 2.02 -1.10 -0.40 112.91 114.86 1x60 h THR 61 Ca 0.00 -0.22 -0.00 0.00 0.77 0.00 0.00 66.41 66.96 1x60 h THR 61 Cb 0.08 0.40 0.00 0.00 -1.74 0.00 0.00 68.15 66.90 1x60 h THR 61 CO -0.00 0.12 -0.03 0.25 0.37 0.00 0.00 175.52 176.22 1x60 h LEU 62 N 0.63 -0.08 0.30 2.58 7.12 -0.87 -2.45 115.31 122.54 1x60 h LEU 62 Ca 0.19 -0.46 0.00 0.00 0.13 0.00 0.00 57.88 57.74 1x60 h LEU 62 Cb 0.01 0.02 -0.03 0.00 -0.53 0.00 0.00 40.66 40.12 1x60 h LEU 62 CO -0.05 0.45 -0.44 0.00 -0.13 0.00 0.00 178.44 178.27 1x60 h ALA 63 N 0.20 -0.90 -0.90 1.25 0.00 -0.01 0.11 119.26 119.02 1x60 h ALA 63 Ca -0.01 -0.12 0.15 0.00 0.00 0.00 0.00 54.91 54.93 1x60 h ALA 63 Cb 0.54 0.68 -0.07 0.00 0.00 0.00 0.00 17.79 18.94 1x60 h ALA 63 CO 0.02 -1.06 0.58 0.00 0.00 0.00 0.00 179.25 178.79 1x60 h ALA 64 N -0.45 1.85 -0.65 0.00 0.00 -1.19 0.25 119.26 119.07 1x60 h ALA 64 Ca -0.02 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1x60 h ALA 64 Cb 0.75 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 1x60 h ALA 64 CO -0.15 -0.10 0.16 -0.09 0.00 0.00 0.00 179.25 179.07 1x60 h ARG 65 N 0.68 1.02 -0.63 0.00 2.43 -0.80 -0.23 114.38 116.84 1x60 h ARG 65 Ca 0.46 -0.23 -0.07 0.00 -0.81 0.00 0.00 59.98 59.34 1x60 h ARG 65 Cb 0.77 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 30.15 1x60 h ARG 65 CO -0.22 0.90 0.14 0.00 -1.51 0.00 0.00 179.97 179.28 1x60 h ALA 66 N 1.20 0.83 -0.33 2.80 0.00 0.20 0.86 119.26 124.83 1x60 h ALA 66 Ca 0.21 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1x60 h ALA 66 Cb 0.34 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1x60 h ALA 66 CO -0.00 0.56 0.18 0.87 0.00 0.00 0.00 179.25 180.86 1x60 h LYS 67 N 0.94 0.46 0.00 0.00 6.56 0.12 1.34 116.57 125.98 1x60 h LYS 67 Ca 0.20 -0.05 -0.06 0.00 -1.06 0.00 0.00 60.65 59.67 1x60 h LYS 67 Cb 0.38 -0.09 -0.01 0.00 -0.57 0.00 0.00 32.23 31.95 1x60 h LYS 67 CO 0.01 0.39 -0.30 -0.97 -2.06 0.00 0.00 179.45 176.52 1x60 h ASN 68 N 0.41 0.00 1.44 0.86 -1.24 -0.73 -2.51 115.58 113.81 1x60 h ASN 68 Ca 0.12 0.00 -0.05 0.00 0.71 0.00 0.00 56.30 57.07 1x60 h ASN 68 Cb 0.07 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.11 1x60 h ASN 68 CO -0.02 0.30 -0.24 0.00 -1.29 0.00 0.00 177.43 176.18 1x60 h ALA 69 N 1.70 0.89 0.00 1.57 0.00 0.19 -3.47 119.26 120.14 1x60 h ALA 69 Ca -0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1x60 h ALA 69 Cb 0.72 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1x60 h ALA 69 CO 0.04 0.30 0.00 0.41 0.00 0.00 0.00 179.25 180.00 1x60 n GLY 70 N 0.79 1.75 3.16 0.00 0.00 0.56 -5.04 105.19 106.41 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 1.20 -1.21 1.61 0.08 0.43 -4.98 117.98 113.10 1x60 s PHE 71 Ca 0.00 -0.43 -0.09 0.00 0.12 0.00 0.00 56.93 56.53 1x60 s PHE 71 Cb 0.00 -0.68 0.20 0.00 -0.57 0.00 0.00 43.02 41.97 1x60 s PHE 71 CO 0.00 0.05 1.63 -3.47 -0.10 0.00 0.00 175.22 173.32 1x60 n ASP 72 N 1.46 5.41 -4.80 1.36 2.03 -1.26 -1.40 116.55 119.34 1x60 n ASP 72 Ca -0.20 -3.13 -0.37 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 39.43 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 -0.05 3.44 0.14 -1.67 0.00 -1.26 -4.06 121.76 118.30 1x60 s ALA 73 Ca 0.38 0.22 0.02 0.00 0.00 0.00 0.00 51.96 52.58 1x60 s ALA 73 Cb 0.04 -2.85 -0.04 0.00 0.00 0.00 0.00 23.12 20.26 1x60 s ALA 73 CO 0.02 0.32 -0.04 0.96 0.00 0.00 0.00 175.76 177.02 1x60 s ILE 74 N -1.38 0.76 -0.08 0.00 -4.36 0.16 -4.65 121.20 111.65 1x60 s ILE 74 Ca 0.40 -1.98 0.01 0.00 -0.26 0.00 0.00 60.65 58.82 1x60 s ILE 74 Cb -0.19 -1.91 -0.03 0.00 1.25 0.00 0.00 42.46 41.59 1x60 s ILE 74 CO 0.22 -0.67 -0.10 -0.69 0.24 0.00 0.00 174.94 173.94 1x60 s VAL 75 N -3.59 3.37 0.00 8.37 1.01 -1.26 0.59 120.40 128.90 1x60 s VAL 75 Ca 0.18 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.57 1x60 s VAL 75 Cb 0.05 -2.38 -0.00 0.00 0.00 0.00 0.00 36.38 34.05 1x60 s VAL 75 CO 0.00 0.57 -0.00 0.27 0.00 0.00 0.00 175.10 175.94 1x60 s ILE 76 N -0.44 0.00 -0.48 2.22 -4.36 -0.48 -5.00 121.20 112.66 1x60 s ILE 76 Ca 0.06 -0.02 -0.21 0.00 -0.26 0.00 0.00 60.65 60.23 1x60 s ILE 76 Cb -0.12 -0.02 0.04 0.00 1.25 0.00 0.00 42.46 43.61 1x60 s ILE 76 CO 0.02 -0.01 0.68 -0.22 0.24 0.00 0.00 174.94 175.65 1x60 s LEU 77 N -0.03 4.64 -0.19 0.37 2.96 -1.25 -2.43 118.68 122.75 1x60 s LEU 77 Ca -0.00 -0.59 -0.09 0.00 -0.22 0.00 0.00 54.13 53.23 1x60 s LEU 77 Cb -0.00 -2.62 -0.05 0.00 0.50 0.00 0.00 46.19 44.02 1x60 s LEU 77 CO -0.00 -0.90 0.12 -1.61 -1.32 0.00 0.00 176.35 172.64 1x60 s GLU 78 N 2.91 4.06 0.00 1.98 2.02 0.44 -4.77 118.70 125.34 1x60 s GLU 78 Ca 0.20 -0.24 0.29 0.00 0.02 0.00 0.00 54.97 55.24 1x60 s GLU 78 Cb -0.16 -3.35 1.18 0.00 0.10 0.00 0.00 34.13 31.90 1x60 s GLU 78 CO 0.16 0.35 1.82 0.43 0.02 0.00 0.00 175.26 178.03