#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 1.94 -3.78 3.23 0.00 -1.26 -5.03 118.16 113.26 1x60 n LYS 2 Ca 0.00 0.01 -0.13 0.00 -0.00 0.00 0.00 58.31 58.19 1x60 n LYS 2 Cb 0.00 -1.28 -0.10 0.00 -0.00 0.00 0.00 35.03 33.65 1x60 n LYS 2 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.40 175.81 1x60 s LYS 3 N -2.26 0.43 -0.13 -1.58 -2.85 -1.26 -5.05 119.74 107.03 1x60 s LYS 3 Ca -0.07 0.21 -0.09 0.00 -1.00 0.00 0.00 55.97 55.02 1x60 s LYS 3 Cb 0.03 0.20 0.04 0.00 -2.06 0.00 0.00 37.83 36.04 1x60 s LYS 3 CO 0.42 -0.08 0.18 2.41 0.10 0.00 0.00 175.35 178.39 1x60 n THR 4 N 2.44-13.09 -2.51 3.79 -1.04 -1.26 -4.78 114.28 97.82 1x60 n THR 4 Ca -0.16 2.91 -0.43 0.00 -2.04 0.00 0.00 64.05 64.33 1x60 n THR 4 Cb 0.57 -6.44 0.00 0.00 -1.82 0.00 0.00 70.33 62.65 1x60 n THR 4 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1x60 n SER 5 N 1.74 4.84 -3.69 8.00 7.64 -1.26 -4.87 113.62 126.01 1x60 n SER 5 Ca -0.31 -2.92 -0.11 0.00 1.01 0.00 0.00 58.87 56.54 1x60 n SER 5 Cb 0.48 -1.72 -0.12 0.00 -1.01 0.00 0.00 64.21 61.85 1x60 n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x60 s SER 6 N 3.92 -0.31 -0.16 6.43 0.15 -1.26 -5.15 113.70 117.32 1x60 s SER 6 Ca 0.52 0.77 -0.07 0.00 0.70 0.00 0.00 55.95 57.87 1x60 s SER 6 Cb 0.05 0.74 0.07 0.00 -1.71 0.00 0.00 66.02 65.17 1x60 s SER 6 CO 0.05 -0.20 0.35 -0.94 1.20 0.00 0.00 173.24 173.70 1x60 s SER 7 N 1.65 -0.15 0.00 5.45 1.04 -1.26 -5.13 113.70 115.30 1x60 s SER 7 Ca -0.07 0.79 0.00 0.00 0.48 0.00 0.00 55.95 57.15 1x60 s SER 7 Cb -0.10 0.89 0.00 0.00 0.10 0.00 0.00 66.02 66.92 1x60 s SER 7 CO -0.11 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 174.50 1x60 n GLY 8 N 4.95 3.46 3.02 7.32 0.00 -1.26 -4.87 105.19 117.80 1x60 n GLY 8 Ca -0.14 -1.75 -0.12 0.00 0.00 0.00 0.00 46.02 44.01 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 1.43 -0.45 0.99 1.43 0.32 -4.83 118.68 117.57 1x60 s LEU 9 Ca 0.00 0.29 -0.14 0.00 -1.03 0.00 0.00 54.13 53.25 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 -0.05 0.34 -0.31 0.23 0.00 0.00 176.35 176.56 1x60 s TYR 10 N 0.11 3.26 0.14 0.29 2.02 -0.79 -1.48 117.35 120.91 1x60 s TYR 10 Ca -0.00 -0.97 0.08 0.00 -0.37 0.00 0.00 57.07 55.80 1x60 s TYR 10 Cb -0.01 -2.99 -0.04 0.00 -0.40 0.00 0.00 41.96 38.52 1x60 s TYR 10 CO -0.00 -0.76 -0.17 0.15 -1.57 0.00 0.00 175.55 173.20 1x60 s LYS 11 N 1.61 1.18 -0.09 -0.62 3.01 -1.02 -0.89 119.74 122.92 1x60 s LYS 11 Ca 0.04 -1.33 -0.02 0.00 -1.01 0.00 0.00 55.97 53.65 1x60 s LYS 11 Cb -0.23 -1.21 -0.03 0.00 -1.01 0.00 0.00 37.83 35.35 1x60 s LYS 11 CO 0.06 0.25 0.01 0.08 0.51 0.00 0.00 175.35 176.27 1x60 s VAL 12 N -1.96 4.42 -0.02 3.17 1.01 -0.03 -1.22 120.40 125.76 1x60 s VAL 12 Ca 0.12 -0.21 0.03 0.00 0.00 0.00 0.00 61.98 61.92 1x60 s VAL 12 Cb -0.06 -2.86 0.00 0.00 0.00 0.00 0.00 36.38 33.46 1x60 s VAL 12 CO 0.05 0.61 -0.09 -1.58 0.00 0.00 0.00 175.10 174.08 1x60 s GLN 13 N -0.90 0.94 0.00 2.72 0.74 0.15 0.12 119.66 123.43 1x60 s GLN 13 Ca 0.13 -0.33 0.11 0.00 0.05 0.00 0.00 55.36 55.33 1x60 s GLN 13 Cb -0.11 -0.88 -0.04 0.00 1.10 0.00 0.00 33.01 33.08 1x60 s GLN 13 CO 0.02 0.14 0.61 0.44 -0.55 0.00 0.00 175.29 175.96 1x60 n ILE 14 N 3.16 0.00 0.00 -2.34 -0.00 -0.83 0.32 119.36 119.67 1x60 n ILE 14 Ca -0.17 -0.34 0.00 0.00 -0.00 0.00 0.00 62.75 62.24 1x60 n ILE 14 Cb 0.55 1.09 0.00 0.00 -0.00 0.00 0.00 39.64 41.28 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 1.04 1.13 3.26 3.28 0.00 -1.23 -4.52 105.19 108.15 1x60 n GLY 15 Ca 0.04 -1.14 -0.12 0.00 0.00 0.00 0.00 46.02 44.80 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 -0.07 121.76 122.06 1x60 s ALA 16 Ca 0.00 1.32 -0.05 0.00 0.00 0.00 0.00 51.96 53.23 1x60 s ALA 16 Cb 0.00 -0.79 -0.00 0.00 0.00 0.00 0.00 23.12 22.33 1x60 s ALA 16 CO 0.00 -0.23 0.09 -0.06 0.00 0.00 0.00 175.76 175.56 1x60 s PHE 17 N 0.88 0.08 -0.68 0.00 0.40 0.56 -4.90 117.98 114.32 1x60 s PHE 17 Ca -0.05 -0.20 0.10 0.00 -0.60 0.00 0.00 56.93 56.18 1x60 s PHE 17 Cb -0.06 -0.08 0.53 0.00 0.51 0.00 0.00 43.02 43.92 1x60 s PHE 17 CO -0.07 -0.24 1.32 0.36 0.70 0.00 0.00 175.22 177.29 1x60 n LYS 18 N 1.64 0.06 -4.32 0.44 0.00 -1.26 0.86 118.16 115.58 1x60 n LYS 18 Ca -0.22 0.53 -0.34 0.00 -0.00 0.00 0.00 58.31 58.28 1x60 n LYS 18 Cb 0.56 -1.69 -0.12 0.00 -0.00 0.00 0.00 35.03 33.78 1x60 n LYS 18 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1x60 s VAL 19 N -3.22 3.97 0.11 0.58 1.01 -1.26 -4.58 120.40 117.02 1x60 s VAL 19 Ca -0.00 -0.32 -0.13 0.00 0.00 0.00 0.00 61.98 61.52 1x60 s VAL 19 Cb 0.04 -2.75 -0.08 0.00 0.00 0.00 0.00 36.38 33.58 1x60 s VAL 19 CO 0.12 0.48 1.42 0.50 0.00 0.00 0.00 175.10 177.61 1x60 h LYS 20 N 6.83 0.79 -0.79 2.72 3.64 -1.95 -2.29 116.57 125.51 1x60 h LYS 20 Ca -0.32 -0.44 0.17 0.00 -1.27 0.00 0.00 60.65 58.79 1x60 h LYS 20 Cb 1.19 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.99 1x60 h LYS 20 CO 0.63 1.07 0.53 0.00 -2.27 0.00 0.00 179.45 179.42 1x60 h ALA 21 N 0.70 2.24 0.01 5.00 0.00 -1.96 0.78 119.26 126.02 1x60 h ALA 21 Ca 0.04 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.75 1x60 h ALA 21 Cb 0.96 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1x60 h ALA 21 CO 0.09 -0.47 -0.89 -0.91 0.00 0.00 0.00 179.25 177.07 1x60 h ASN 22 N 0.34 0.21 1.29 0.00 -0.26 -1.91 -2.62 115.58 112.63 1x60 h ASN 22 Ca 0.39 -0.17 -0.02 0.00 -0.56 0.00 0.00 56.30 55.94 1x60 h ASN 22 Cb 1.03 -0.06 -0.00 0.00 -1.06 0.00 0.00 38.32 38.22 1x60 h ASN 22 CO -0.12 0.99 -0.08 0.00 -1.06 0.00 0.00 177.43 177.17 1x60 h ALA 23 N 0.99 0.98 0.17 -0.83 0.00 0.93 -2.56 119.26 118.95 1x60 h ALA 23 Ca -0.04 -0.07 -0.33 0.00 0.00 0.00 0.00 54.91 54.47 1x60 h ALA 23 Cb 1.53 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.31 1x60 h ALA 23 CO 0.13 0.10 -1.59 0.22 0.00 0.00 0.00 179.25 178.11 1x60 h ASP 24 N 0.00 0.56 -0.31 0.00 1.82 -0.30 -2.70 116.42 115.50 1x60 h ASP 24 Ca -0.00 -0.75 -0.10 0.00 -0.39 0.00 0.00 57.03 55.79 1x60 h ASP 24 Cb 0.75 -0.18 -0.02 0.00 0.68 0.00 0.00 39.33 40.56 1x60 h ASP 24 CO 0.01 1.62 -0.17 -1.28 -1.61 0.00 0.00 179.24 177.81 1x60 h SER 25 N 0.10 0.76 0.13 2.28 0.87 -1.42 -1.59 113.55 114.67 1x60 h SER 25 Ca -0.28 -0.25 -0.01 0.00 -1.23 0.00 0.00 61.79 60.03 1x60 h SER 25 Cb 2.08 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 63.83 1x60 h SER 25 CO 0.19 0.93 -0.06 0.25 -0.53 0.00 0.00 176.83 177.61 1x60 h LEU 26 N 0.68 -0.14 -2.42 2.23 5.85 -1.56 -2.43 115.31 117.51 1x60 h LEU 26 Ca 0.11 -0.28 0.02 0.00 0.84 0.00 0.00 57.88 58.57 1x60 h LEU 26 Cb 0.66 0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.72 1x60 h LEU 26 CO 0.05 0.21 0.10 0.00 -0.34 0.00 0.00 178.44 178.46 1x60 h ALA 27 N 0.29 1.55 -0.19 1.25 0.00 -1.41 -0.79 119.26 119.97 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 0.41 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.21 1x60 h ALA 27 CO 0.03 -0.14 -0.58 0.77 0.00 0.00 0.00 179.25 179.33 1x60 h SER 28 N 0.00 0.84 -0.34 0.00 0.02 -0.94 -2.52 113.55 110.61 1x60 h SER 28 Ca 0.03 -0.59 0.01 0.00 -0.84 0.00 0.00 61.79 60.41 1x60 h SER 28 Cb 0.24 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.51 1x60 h SER 28 CO -0.00 1.28 0.20 -0.55 -1.14 0.00 0.00 176.83 176.62 1x60 h ASN 29 N 0.44 0.32 -0.85 3.07 7.08 -0.68 -2.28 115.58 122.69 1x60 h ASN 29 Ca -0.02 0.00 -0.02 0.00 -3.08 0.00 0.00 56.30 53.19 1x60 h ASN 29 Cb 1.20 -0.07 -0.04 0.00 -2.08 0.00 0.00 38.32 37.34 1x60 h ASN 29 CO 0.12 0.24 0.47 0.00 -2.08 0.00 0.00 177.43 176.18 1x60 h ALA 30 N 1.15 1.09 -0.85 4.14 0.00 -1.53 -2.00 119.26 121.25 1x60 h ALA 30 Ca 0.13 -0.12 0.12 0.00 0.00 0.00 0.00 54.91 55.04 1x60 h ALA 30 Cb -0.00 -0.34 -0.06 0.00 0.00 0.00 0.00 17.79 17.38 1x60 h ALA 30 CO -0.06 0.60 0.55 1.49 0.00 0.00 0.00 179.25 181.83 1x60 h GLU 31 N 1.19 0.69 -0.22 0.00 4.81 -0.97 -1.40 114.58 118.68 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 0.02 -0.16 -0.06 0.00 0.63 0.00 0.00 28.75 29.19 1x60 h GLU 31 CO -0.05 0.46 -0.14 0.00 -0.73 0.00 0.00 179.01 178.55 1x60 h ALA 32 N 1.60 0.02 0.00 2.92 0.00 -0.89 0.23 119.26 123.13 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 0.59 0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 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 -1.31 -3.46 116.57 113.47 1x60 h LYS 33 Ca 0.12 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.59 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 -0.30 0.11 0.00 0.41 -1.08 0.00 0.00 179.45 178.59 1x60 n GLY 34 N -1.11 1.73 3.93 3.86 0.00 0.80 -5.13 105.19 109.28 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 -0.84 1.61 0.08 -0.84 -4.98 117.98 114.44 1x60 s PHE 35 Ca 0.00 0.06 -0.22 0.00 0.12 0.00 0.00 56.93 56.89 1x60 s PHE 35 Cb 0.00 -1.62 0.08 0.00 -0.57 0.00 0.00 43.02 40.91 1x60 s PHE 35 CO 0.00 0.50 1.18 -0.51 -0.10 0.00 0.00 175.22 176.29 1x60 s ASP 36 N -3.45 6.39 0.53 1.36 1.11 -1.26 -4.00 116.67 117.35 1x60 s ASP 36 Ca 0.34 -1.34 -0.15 0.00 0.18 0.00 0.00 52.55 51.58 1x60 s ASP 36 Cb -0.10 -2.47 -0.07 0.00 1.07 0.00 0.00 42.92 41.34 1x60 s ASP 36 CO 0.28 -1.41 0.99 -0.94 1.18 0.00 0.00 175.17 175.28 1x60 s SER 37 N 3.99 6.55 -0.20 0.27 1.04 -1.26 -2.18 113.70 121.91 1x60 s SER 37 Ca 0.33 1.54 -0.15 0.00 0.48 0.00 0.00 55.95 58.15 1x60 s SER 37 Cb -0.08 -2.50 0.06 0.00 0.10 0.00 0.00 66.02 63.60 1x60 s SER 37 CO 0.00 -0.64 0.51 -0.51 0.98 0.00 0.00 173.24 173.58 1x60 s ILE 38 N -2.73 -0.01 -0.30 -1.02 2.07 0.70 -4.96 121.20 114.96 1x60 s ILE 38 Ca 0.58 0.03 -0.03 0.00 -1.41 0.00 0.00 60.65 59.81 1x60 s ILE 38 Cb -0.10 -0.73 0.04 0.00 0.13 0.00 0.00 42.46 41.80 1x60 s ILE 38 CO 0.36 0.01 0.03 -0.69 -1.91 0.00 0.00 174.94 172.73 1x60 s VAL 39 N 0.78 3.26 -0.24 4.00 1.01 -1.26 -1.08 120.40 126.87 1x60 s VAL 39 Ca -0.04 -1.22 -0.08 0.00 0.00 0.00 0.00 61.98 60.65 1x60 s VAL 39 Cb -0.05 -2.82 -0.03 0.00 0.00 0.00 0.00 36.38 33.47 1x60 s VAL 39 CO -0.06 -0.07 0.08 -0.22 0.00 0.00 0.00 175.10 174.83 1x60 s LEU 40 N 1.32 3.55 -0.45 3.92 2.96 -0.75 -4.90 118.68 124.32 1x60 s LEU 40 Ca -0.03 -0.14 -0.26 0.00 -0.22 0.00 0.00 54.13 53.48 1x60 s LEU 40 Cb -0.19 -1.95 0.03 0.00 0.50 0.00 0.00 46.19 44.58 1x60 s LEU 40 CO -0.00 -0.00 0.94 -0.22 -1.32 0.00 0.00 176.35 175.75 1x60 s LEU 41 N 1.43 3.98 0.47 -0.68 2.96 -1.26 -1.50 118.68 124.09 1x60 s LEU 41 Ca 0.06 0.19 0.01 0.00 -0.22 0.00 0.00 54.13 54.17 1x60 s LEU 41 Cb -0.15 -3.23 0.01 0.00 0.50 0.00 0.00 46.19 43.32 1x60 s LEU 41 CO 0.04 -1.05 0.69 -1.59 -1.32 0.00 0.00 176.35 173.12 1x60 s LYS 42 N 3.78 2.90 0.00 1.98 0.00 0.32 -4.92 119.74 123.80 1x60 s LYS 42 Ca 0.38 -0.63 -0.17 0.00 0.00 0.00 0.00 55.97 55.54 1x60 s LYS 42 Cb -0.10 -2.56 -0.21 0.00 0.00 0.00 0.00 37.83 34.96 1x60 s LYS 42 CO 0.26 -0.39 1.23 -3.47 0.00 0.00 0.00 175.35 172.98 1x60 n ASP 43 N -2.13 0.46 0.00 0.03 2.03 -1.26 -1.91 116.55 113.77 1x60 n ASP 43 Ca 0.04 -2.05 0.00 0.00 0.52 0.00 0.00 54.79 53.29 1x60 n ASP 43 Cb 0.58 -0.43 0.00 0.00 -0.72 0.00 0.00 41.12 40.56 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 4.43 1.27 3.13 0.27 0.00 -1.26 -5.12 105.19 107.91 1x60 n GLY 44 Ca 0.26 0.00 -0.10 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 1.65 -0.11 0.99 1.43 -0.80 -4.56 118.68 117.28 1x60 s LEU 45 Ca 0.00 -0.44 -0.01 0.00 -1.03 0.00 0.00 54.13 52.65 1x60 s LEU 45 Cb 0.00 0.71 -0.03 0.00 0.03 0.00 0.00 46.19 46.90 1x60 s LEU 45 CO 0.00 -0.50 -0.08 -0.31 0.23 0.00 0.00 176.35 175.69 1x60 s TYR 46 N -2.42 2.92 0.20 0.29 1.51 0.25 0.12 117.35 120.22 1x60 s TYR 46 Ca -0.06 -0.23 0.10 0.00 -1.01 0.00 0.00 57.07 55.87 1x60 s TYR 46 Cb -0.02 -1.81 -0.04 0.00 -0.11 0.00 0.00 41.96 39.98 1x60 s TYR 46 CO -0.03 0.10 -0.16 0.15 -1.11 0.00 0.00 175.55 174.50 1x60 s LYS 47 N -0.21 1.82 -0.24 -0.62 3.01 -0.56 0.21 119.74 123.15 1x60 s LYS 47 Ca 0.02 -1.44 0.01 0.00 -1.01 0.00 0.00 55.97 53.55 1x60 s LYS 47 Cb -0.13 -1.99 0.06 0.00 -1.01 0.00 0.00 37.83 34.76 1x60 s LYS 47 CO 0.03 0.40 -0.03 0.08 0.51 0.00 0.00 175.35 176.34 1x60 s VAL 48 N -1.83 1.45 -0.02 3.17 1.01 0.90 -1.81 120.40 123.27 1x60 s VAL 48 Ca 0.24 -1.23 0.02 0.00 0.00 0.00 0.00 61.98 61.01 1x60 s VAL 48 Cb -0.08 -1.77 -0.03 0.00 0.00 0.00 0.00 36.38 34.50 1x60 s VAL 48 CO 0.13 -0.17 -0.05 -1.58 0.00 0.00 0.00 175.10 173.44 1x60 s GLN 49 N 1.42 2.68 -0.06 2.72 0.74 -0.24 -1.97 119.66 124.95 1x60 s GLN 49 Ca -0.04 -0.64 -0.01 0.00 0.05 0.00 0.00 55.36 54.73 1x60 s GLN 49 Cb -0.19 -2.58 0.03 0.00 1.10 0.00 0.00 33.01 31.37 1x60 s GLN 49 CO -0.07 0.63 -0.01 0.96 -0.55 0.00 0.00 175.29 176.24 1x60 s ILE 50 N -0.98 0.40 -0.00 -2.34 -5.25 0.32 -0.21 121.20 113.14 1x60 s ILE 50 Ca 0.17 0.05 -0.00 0.00 -0.99 0.00 0.00 60.65 59.88 1x60 s ILE 50 Cb -0.11 -0.52 0.00 0.00 2.95 0.00 0.00 42.46 44.78 1x60 s ILE 50 CO 0.07 0.24 0.00 0.61 -1.79 0.00 0.00 174.94 174.07 1x60 n GLY 51 N 4.75 -2.91 2.97 6.27 0.00 -0.93 -3.09 105.19 112.26 1x60 n GLY 51 Ca -0.14 -0.45 -0.28 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 -0.01 1.61 0.23 4.61 0.00 -1.26 -0.85 121.76 126.09 1x60 s ALA 52 Ca -0.00 -0.73 0.00 0.00 0.00 0.00 0.00 51.96 51.23 1x60 s ALA 52 Cb 0.00 -0.97 -0.04 0.00 0.00 0.00 0.00 23.12 22.11 1x60 s ALA 52 CO 0.01 -0.37 0.15 -0.06 0.00 0.00 0.00 175.76 175.49 1x60 s PHE 53 N 1.53 1.30 -0.57 0.00 0.40 -0.07 -4.99 117.98 115.57 1x60 s PHE 53 Ca 0.04 -1.39 0.24 0.00 -0.60 0.00 0.00 56.93 55.22 1x60 s PHE 53 Cb -0.13 -0.63 0.54 0.00 0.51 0.00 0.00 43.02 43.31 1x60 s PHE 53 CO -0.09 -0.63 1.64 1.03 0.70 0.00 0.00 175.22 177.88 1x60 h SER 54 N 2.51 0.00 -3.43 1.36 0.87 -1.95 -2.09 113.55 110.82 1x60 h SER 54 Ca -0.35 -0.01 -0.66 0.00 -1.23 0.00 0.00 61.79 59.54 1x60 h SER 54 Cb 1.25 0.00 -0.26 0.00 -0.44 0.00 0.00 62.40 62.95 1x60 h SER 54 CO 0.52 0.01 -0.76 -0.55 -0.53 0.00 0.00 176.83 175.51 1x60 s SER 55 N -5.30 4.03 0.32 6.23 0.15 -1.26 -4.65 113.70 113.22 1x60 s SER 55 Ca 0.08 -0.30 0.02 0.00 0.70 0.00 0.00 55.95 56.45 1x60 s SER 55 Cb 0.09 -1.49 0.60 0.00 -1.71 0.00 0.00 66.02 63.51 1x60 s SER 55 CO 0.65 0.19 1.94 0.50 1.20 0.00 0.00 173.24 177.72 1x60 h LYS 56 N 6.48 0.90 -1.28 5.44 3.64 -1.89 -1.76 116.57 128.11 1x60 h LYS 56 Ca -0.29 -0.05 0.37 0.00 -1.27 0.00 0.00 60.65 59.41 1x60 h LYS 56 Cb 1.20 -0.20 -0.08 0.00 -0.41 0.00 0.00 32.23 32.74 1x60 h LYS 56 CO 0.55 0.60 0.88 0.22 -2.27 0.00 0.00 179.45 179.43 1x60 h ASP 57 N 0.93 0.16 -0.01 4.20 3.58 -1.97 0.31 116.42 123.62 1x60 h ASP 57 Ca 0.35 0.05 -0.01 0.00 0.42 0.00 0.00 57.03 57.84 1x60 h ASP 57 Cb 0.18 0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.26 1x60 h ASP 57 CO -0.12 -0.01 -0.02 0.78 -2.88 0.00 0.00 179.24 176.98 1x60 h ASN 58 N 0.12 0.04 -0.64 2.28 2.35 -1.70 -2.75 115.58 115.27 1x60 h ASN 58 Ca 0.67 -0.59 0.04 0.00 -0.55 0.00 0.00 56.30 55.87 1x60 h ASN 58 Cb 2.32 -0.01 -0.05 0.00 0.05 0.00 0.00 38.32 40.64 1x60 h ASN 58 CO -0.16 0.62 0.37 0.00 -1.65 0.00 0.00 177.43 176.61 1x60 h ALA 59 N 0.42 0.84 0.12 -0.83 0.00 -0.55 -1.30 119.26 117.97 1x60 h ALA 59 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1x60 h ALA 59 Cb 0.62 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1x60 h ALA 59 CO 0.01 0.07 -0.11 -0.44 0.00 0.00 0.00 179.25 178.78 1x60 h ASP 60 N 0.70 -0.28 -0.44 0.00 3.32 -1.05 0.30 116.42 118.97 1x60 h ASP 60 Ca 0.27 0.03 0.01 0.00 0.02 0.00 0.00 57.03 57.36 1x60 h ASP 60 Cb 0.11 0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 1x60 h ASP 60 CO -0.15 -0.17 0.29 0.71 -1.72 0.00 0.00 179.24 178.21 1x60 h THR 61 N -0.25 1.08 0.15 0.35 1.35 -1.22 -0.66 112.91 113.71 1x60 h THR 61 Ca 0.00 -0.19 -0.01 0.00 -0.55 0.00 0.00 66.41 65.66 1x60 h THR 61 Cb 0.23 0.48 0.00 0.00 -1.73 0.00 0.00 68.15 67.14 1x60 h THR 61 CO -0.02 0.10 -0.07 0.25 -0.25 0.00 0.00 175.52 175.53 1x60 h LEU 62 N 0.55 -0.17 0.29 3.87 7.12 -0.72 -2.45 115.31 123.80 1x60 h LEU 62 Ca 0.17 -0.37 0.00 0.00 0.13 0.00 0.00 57.88 57.82 1x60 h LEU 62 Cb 0.00 0.04 -0.03 0.00 -0.53 0.00 0.00 40.66 40.14 1x60 h LEU 62 CO -0.04 0.34 -0.46 0.00 -0.13 0.00 0.00 178.44 178.15 1x60 h ALA 63 N -0.06 -0.92 -0.95 1.25 0.00 -0.10 0.16 119.26 118.63 1x60 h ALA 63 Ca -0.02 -0.13 0.18 0.00 0.00 0.00 0.00 54.91 54.94 1x60 h ALA 63 Cb 0.52 0.72 -0.08 0.00 0.00 0.00 0.00 17.79 18.95 1x60 h ALA 63 CO 0.03 -1.07 0.60 0.00 0.00 0.00 0.00 179.25 178.81 1x60 h ALA 64 N -0.48 1.88 -0.55 0.00 0.00 -1.24 0.43 119.26 119.29 1x60 h ALA 64 Ca -0.02 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1x60 h ALA 64 Cb 0.76 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1x60 h ALA 64 CO -0.16 -0.18 0.07 -0.09 0.00 0.00 0.00 179.25 178.89 1x60 h ARG 65 N 0.65 0.88 -0.50 0.00 2.43 -0.75 -0.18 114.38 116.90 1x60 h ARG 65 Ca 0.51 -0.21 -0.07 0.00 -0.81 0.00 0.00 59.98 59.40 1x60 h ARG 65 Cb 0.92 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.34 1x60 h ARG 65 CO -0.26 0.83 0.05 0.00 -1.51 0.00 0.00 179.97 179.07 1x60 h ALA 66 N 1.25 0.67 -0.31 2.80 0.00 0.26 0.89 119.26 124.82 1x60 h ALA 66 Ca 0.17 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1x60 h ALA 66 Cb 0.39 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1x60 h ALA 66 CO 0.01 0.44 0.17 0.87 0.00 0.00 0.00 179.25 180.74 1x60 h LYS 67 N 0.73 0.43 0.00 0.00 1.57 0.15 1.32 116.57 120.77 1x60 h LYS 67 Ca 0.15 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.82 1x60 h LYS 67 Cb 0.45 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 1x60 h LYS 67 CO 0.02 0.36 -0.26 -0.97 -0.57 0.00 0.00 179.45 178.03 1x60 h ASN 68 N 0.38 0.00 1.47 0.86 -1.24 -0.80 -2.50 115.58 113.76 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 0.06 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.10 1x60 h ASN 68 CO -0.02 0.26 -0.29 0.00 -1.29 0.00 0.00 177.43 176.10 1x60 h ALA 69 N 1.74 0.85 0.00 1.57 0.00 0.20 -3.47 119.26 120.15 1x60 h ALA 69 Ca -0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1x60 h ALA 69 Cb 0.70 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1x60 h ALA 69 CO 0.03 0.36 0.00 0.41 0.00 0.00 0.00 179.25 180.05 1x60 n GLY 70 N 0.89 1.78 3.14 0.00 0.00 0.71 -5.03 105.19 106.68 1x60 n GLY 70 Ca 0.02 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.87 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 1.08 -1.21 1.61 0.08 0.42 -4.98 117.98 112.98 1x60 s PHE 71 Ca 0.00 -0.44 -0.10 0.00 0.12 0.00 0.00 56.93 56.52 1x60 s PHE 71 Cb 0.00 -0.62 0.21 0.00 -0.57 0.00 0.00 43.02 42.04 1x60 s PHE 71 CO 0.00 0.02 1.59 -3.47 -0.10 0.00 0.00 175.22 173.26 1x60 n ASP 72 N 1.49 5.42 -4.81 1.36 2.03 -1.26 -1.44 116.55 119.34 1x60 n ASP 72 Ca -0.21 -3.12 -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 -0.03 3.52 0.07 -1.67 0.00 -1.26 -4.09 121.76 118.31 1x60 s ALA 73 Ca 0.38 0.10 0.03 0.00 0.00 0.00 0.00 51.96 52.46 1x60 s ALA 73 Cb 0.03 -2.72 -0.03 0.00 0.00 0.00 0.00 23.12 20.40 1x60 s ALA 73 CO 0.01 0.37 -0.09 0.96 0.00 0.00 0.00 175.76 177.02 1x60 s ILE 74 N -1.29 0.73 -0.14 0.00 -5.25 0.15 -4.67 121.20 110.72 1x60 s ILE 74 Ca 0.35 -1.43 -0.07 0.00 -0.99 0.00 0.00 60.65 58.51 1x60 s ILE 74 Cb -0.19 -1.08 -0.04 0.00 2.95 0.00 0.00 42.46 44.10 1x60 s ILE 74 CO 0.21 -0.52 0.11 -0.69 -1.79 0.00 0.00 174.94 172.26 1x60 s VAL 75 N -2.14 5.28 -0.02 8.37 1.01 -1.26 0.33 120.40 131.98 1x60 s VAL 75 Ca -0.01 0.13 0.01 0.00 0.00 0.00 0.00 61.98 62.12 1x60 s VAL 75 Cb -0.05 -3.33 0.01 0.00 0.00 0.00 0.00 36.38 33.01 1x60 s VAL 75 CO -0.01 0.56 -0.03 0.27 0.00 0.00 0.00 175.10 175.89 1x60 s ILE 76 N -0.53 0.35 -0.49 2.22 -4.36 -0.36 -4.99 121.20 113.04 1x60 s ILE 76 Ca 0.12 -0.12 -0.16 0.00 -0.26 0.00 0.00 60.65 60.23 1x60 s ILE 76 Cb -0.12 -0.34 0.08 0.00 1.25 0.00 0.00 42.46 43.33 1x60 s ILE 76 CO 0.02 0.13 0.46 -0.22 0.24 0.00 0.00 174.94 175.57 1x60 s LEU 77 N 0.34 5.55 -0.03 0.37 2.96 -1.25 -2.44 118.68 124.17 1x60 s LEU 77 Ca -0.04 -1.30 0.07 0.00 -0.22 0.00 0.00 54.13 52.65 1x60 s LEU 77 Cb -0.07 -2.24 -0.02 0.00 0.50 0.00 0.00 46.19 44.37 1x60 s LEU 77 CO -0.00 -0.73 -0.25 -1.61 -1.32 0.00 0.00 176.35 172.44 1x60 s GLU 78 N 1.85 2.28 0.00 1.98 2.02 -0.55 -4.77 118.70 121.51 1x60 s GLU 78 Ca 0.06 -0.90 0.26 0.00 0.02 0.00 0.00 54.97 54.40 1x60 s GLU 78 Cb -0.24 -2.11 0.51 0.00 0.10 0.00 0.00 34.13 32.40 1x60 s GLU 78 CO 0.07 0.51 1.44 0.45 0.02 0.00 0.00 175.26 177.76