#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 -2.99 -3.03 1.96 5.02 -1.26 -4.93 118.16 112.93 1x60 n LYS 2 Ca 0.00 2.09 -0.18 0.00 -2.02 0.00 0.00 58.31 58.20 1x60 n LYS 2 Cb 0.00 -3.61 0.03 0.00 -0.02 0.00 0.00 35.03 31.43 1x60 n LYS 2 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1x60 s LYS 3 N -2.68 2.64 -0.04 1.97 2.20 -1.26 -5.05 119.74 117.52 1x60 s LYS 3 Ca 0.00 -1.39 0.21 0.00 -0.36 0.00 0.00 55.97 54.43 1x60 s LYS 3 Cb 0.00 -2.71 0.36 0.00 -1.51 0.00 0.00 37.83 33.97 1x60 s LYS 3 CO 0.00 -0.47 1.14 0.25 -0.36 0.00 0.00 175.35 175.91 1x60 n THR 4 N -1.98 0.15 -0.11 3.43 -2.24 -1.26 -4.90 114.28 107.38 1x60 n THR 4 Ca 0.10 -1.04 -0.22 0.00 -2.27 0.00 0.00 64.05 60.62 1x60 n THR 4 Cb 0.60 0.95 -0.08 0.00 -2.10 0.00 0.00 70.33 69.69 1x60 n THR 4 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1x60 n SER 5 N 0.22 1.77 -3.42 3.42 3.41 -1.26 -5.04 113.62 112.71 1x60 n SER 5 Ca -0.01 0.18 0.01 0.00 -0.26 0.00 0.00 58.87 58.79 1x60 n SER 5 Cb 1.02 -0.57 -0.05 0.00 -0.26 0.00 0.00 64.21 64.35 1x60 n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1x60 s SER 6 N -6.76 -0.47 0.05 4.04 0.15 -1.26 -5.18 113.70 104.28 1x60 s SER 6 Ca -0.30 0.66 -0.00 0.00 0.70 0.00 0.00 55.95 57.00 1x60 s SER 6 Cb 0.11 1.47 -0.04 0.00 -1.71 0.00 0.00 66.02 65.85 1x60 s SER 6 CO 0.41 -0.09 -0.04 -0.44 1.20 0.00 0.00 173.24 174.28 1x60 s SER 7 N 2.14 0.57 0.00 5.45 0.01 -1.26 -5.08 113.70 115.53 1x60 s SER 7 Ca -0.03 -0.89 0.00 0.00 1.31 0.00 0.00 55.95 56.33 1x60 s SER 7 Cb -0.05 0.16 0.00 0.00 0.21 0.00 0.00 66.02 66.34 1x60 s SER 7 CO -0.16 -0.51 0.00 0.61 0.41 0.00 0.00 173.24 173.59 1x60 n GLY 8 N 0.41 0.11 3.05 3.44 0.00 -1.26 -4.17 105.19 106.77 1x60 n GLY 8 Ca -0.16 0.54 -0.12 0.00 0.00 0.00 0.00 46.02 46.28 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 1.48 -0.44 0.99 1.02 0.29 -4.87 118.68 117.16 1x60 s LEU 9 Ca 0.00 0.14 -0.14 0.00 0.02 0.00 0.00 54.13 54.16 1x60 s LEU 9 Cb 0.00 0.55 0.06 0.00 0.02 0.00 0.00 46.19 46.81 1x60 s LEU 9 CO 0.00 -0.14 0.33 -0.31 0.02 0.00 0.00 176.35 176.24 1x60 s TYR 10 N -0.36 3.26 0.15 0.29 2.02 -0.75 -0.31 117.35 121.65 1x60 s TYR 10 Ca -0.04 -0.99 0.08 0.00 -0.37 0.00 0.00 57.07 55.74 1x60 s TYR 10 Cb -0.03 -2.93 -0.04 0.00 -0.40 0.00 0.00 41.96 38.56 1x60 s TYR 10 CO 0.01 -0.75 -0.17 0.15 -1.57 0.00 0.00 175.55 173.22 1x60 s LYS 11 N 1.59 1.20 -0.10 -0.62 1.02 -1.02 -0.99 119.74 120.83 1x60 s LYS 11 Ca 0.04 -1.37 -0.02 0.00 0.02 0.00 0.00 55.97 54.64 1x60 s LYS 11 Cb -0.22 -1.19 -0.03 0.00 -0.52 0.00 0.00 37.83 35.87 1x60 s LYS 11 CO 0.06 0.23 -0.02 0.08 -0.92 0.00 0.00 175.35 174.78 1x60 s VAL 12 N -2.14 4.07 -0.03 3.17 1.01 0.46 -1.42 120.40 125.52 1x60 s VAL 12 Ca 0.14 -0.33 0.03 0.00 0.00 0.00 0.00 61.98 61.82 1x60 s VAL 12 Cb -0.05 -2.71 0.00 0.00 0.00 0.00 0.00 36.38 33.62 1x60 s VAL 12 CO 0.05 0.58 -0.12 -1.58 0.00 0.00 0.00 175.10 174.03 1x60 s GLN 13 N -0.60 1.25 0.00 2.72 0.74 0.18 0.13 119.66 124.07 1x60 s GLN 13 Ca 0.10 -0.42 0.12 0.00 0.05 0.00 0.00 55.36 55.21 1x60 s GLN 13 Cb -0.12 -1.13 -0.04 0.00 1.10 0.00 0.00 33.01 32.82 1x60 s GLN 13 CO 0.02 0.17 0.64 0.44 -0.55 0.00 0.00 175.29 176.01 1x60 n ILE 14 N 3.22 0.00 0.00 -2.34 -0.00 -0.90 0.35 119.36 119.69 1x60 n ILE 14 Ca -0.18 -0.33 0.00 0.00 -0.00 0.00 0.00 62.75 62.24 1x60 n ILE 14 Cb 0.54 1.10 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 1.07 0.84 3.31 3.28 0.00 -1.21 -4.52 105.19 107.95 1x60 n GLY 15 Ca 0.04 -1.23 -0.14 0.00 0.00 0.00 0.00 46.02 44.69 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 -1.03 -0.01 4.61 0.00 -1.26 0.39 121.76 122.48 1x60 s ALA 16 Ca 0.00 0.98 -0.09 0.00 0.00 0.00 0.00 51.96 52.85 1x60 s ALA 16 Cb 0.00 -0.44 0.01 0.00 0.00 0.00 0.00 23.12 22.68 1x60 s ALA 16 CO 0.00 -0.23 0.18 -0.06 0.00 0.00 0.00 175.76 175.65 1x60 s PHE 17 N -0.28 -0.03 -0.44 0.00 0.40 0.38 -4.89 117.98 113.12 1x60 s PHE 17 Ca -0.04 0.01 0.17 0.00 -0.60 0.00 0.00 56.93 56.47 1x60 s PHE 17 Cb -0.03 -0.01 0.88 0.00 0.51 0.00 0.00 43.02 44.37 1x60 s PHE 17 CO 0.02 -0.30 1.52 0.36 0.70 0.00 0.00 175.22 177.52 1x60 n LYS 18 N 1.53 0.11 -4.11 0.44 2.85 -1.26 0.77 118.16 118.50 1x60 n LYS 18 Ca -0.22 0.57 -0.35 0.00 -1.05 0.00 0.00 58.31 57.26 1x60 n LYS 18 Cb 0.56 -1.83 -0.12 0.00 -0.65 0.00 0.00 35.03 32.99 1x60 n LYS 18 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 1x60 s VAL 19 N -3.38 4.14 0.15 0.58 1.01 -1.26 -4.63 120.40 117.02 1x60 s VAL 19 Ca -0.01 -0.25 -0.12 0.00 0.00 0.00 0.00 61.98 61.60 1x60 s VAL 19 Cb 0.05 -2.87 0.02 0.00 0.00 0.00 0.00 36.38 33.59 1x60 s VAL 19 CO 0.18 0.44 1.61 0.50 0.00 0.00 0.00 175.10 177.83 1x60 h LYS 20 N 7.23 0.86 -0.55 2.72 3.11 -1.95 -0.78 116.57 127.20 1x60 h LYS 20 Ca -0.35 -0.26 0.09 0.00 -2.81 0.00 0.00 60.65 57.32 1x60 h LYS 20 Cb 1.18 -0.09 -0.03 0.00 -1.00 0.00 0.00 32.23 32.29 1x60 h LYS 20 CO 0.63 0.88 0.37 0.00 -2.81 0.00 0.00 179.45 178.52 1x60 h ALA 21 N 0.95 2.05 0.05 5.00 0.00 -1.96 0.41 119.26 125.76 1x60 h ALA 21 Ca 0.14 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.79 1x60 h ALA 21 Cb 0.48 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.20 1x60 h ALA 21 CO 0.02 -0.17 -1.06 -0.91 0.00 0.00 0.00 179.25 177.13 1x60 h ASN 22 N 0.35 0.56 0.96 0.00 4.21 -1.83 -2.49 115.58 117.35 1x60 h ASN 22 Ca 0.25 -0.49 -0.02 0.00 1.21 0.00 0.00 56.30 57.25 1x60 h ASN 22 Cb 0.53 -0.17 -0.00 0.00 -1.12 0.00 0.00 38.32 37.56 1x60 h ASN 22 CO -0.06 1.32 -0.10 0.00 -1.29 0.00 0.00 177.43 177.29 1x60 h ALA 23 N 0.63 1.02 0.13 -0.83 0.00 0.67 -2.63 119.26 118.26 1x60 h ALA 23 Ca -0.11 -0.09 -0.30 0.00 0.00 0.00 0.00 54.91 54.42 1x60 h ALA 23 Cb 1.72 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.50 1x60 h ALA 23 CO 0.18 0.12 -1.43 0.22 0.00 0.00 0.00 179.25 178.35 1x60 h ASP 24 N 0.00 0.43 -0.39 0.00 3.58 -0.23 -2.72 116.42 117.09 1x60 h ASP 24 Ca -0.00 -0.53 -0.07 0.00 0.42 0.00 0.00 57.03 56.85 1x60 h ASP 24 Cb 0.60 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 41.49 1x60 h ASP 24 CO 0.01 1.43 0.02 -1.28 -2.88 0.00 0.00 179.24 176.54 1x60 h SER 25 N 0.07 0.73 0.06 2.28 0.87 -1.22 -1.71 113.55 114.63 1x60 h SER 25 Ca -0.21 -0.17 -0.00 0.00 -1.23 0.00 0.00 61.79 60.19 1x60 h SER 25 Cb 2.01 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 63.78 1x60 h SER 25 CO 0.18 0.79 -0.03 0.25 -0.53 0.00 0.00 176.83 177.49 1x60 h LEU 26 N 0.72 -0.07 -2.25 2.23 5.85 -1.54 -2.39 115.31 117.86 1x60 h LEU 26 Ca 0.14 -0.38 0.05 0.00 0.84 0.00 0.00 57.88 58.53 1x60 h LEU 26 Cb 0.42 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 1x60 h LEU 26 CO 0.02 0.36 0.19 0.00 -0.34 0.00 0.00 178.44 178.66 1x60 h ALA 27 N 0.40 1.75 -0.06 1.25 0.00 -1.34 -0.58 119.26 120.69 1x60 h ALA 27 Ca -0.01 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.68 1x60 h ALA 27 Cb 0.44 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.26 1x60 h ALA 27 CO 0.01 -0.28 -0.80 1.03 0.00 0.00 0.00 179.25 179.21 1x60 h SER 28 N 0.00 0.81 -0.15 0.00 0.87 -1.05 -2.59 113.55 111.44 1x60 h SER 28 Ca 0.08 -0.70 0.00 0.00 -1.23 0.00 0.00 61.79 59.94 1x60 h SER 28 Cb 0.46 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.17 1x60 h SER 28 CO -0.00 1.39 0.10 -0.55 -0.53 0.00 0.00 176.83 177.24 1x60 h ASN 29 N 0.30 0.17 -0.98 6.23 -1.07 -0.60 -2.25 115.58 117.38 1x60 h ASN 29 Ca -0.08 -0.01 0.02 0.00 0.07 0.00 0.00 56.30 56.30 1x60 h ASN 29 Cb 1.46 -0.04 -0.05 0.00 -2.07 0.00 0.00 38.32 37.62 1x60 h ASN 29 CO 0.16 0.13 0.64 0.00 0.07 0.00 0.00 177.43 178.43 1x60 h ALA 30 N 1.05 1.25 -0.81 4.14 0.00 -1.53 -1.47 119.26 121.89 1x60 h ALA 30 Ca 0.05 -0.06 0.12 0.00 0.00 0.00 0.00 54.91 55.02 1x60 h ALA 30 Cb -0.02 -0.39 -0.06 0.00 0.00 0.00 0.00 17.79 17.33 1x60 h ALA 30 CO -0.01 0.61 0.53 1.49 0.00 0.00 0.00 179.25 181.87 1x60 h GLU 31 N 1.30 0.66 -0.30 0.00 4.81 -1.00 -1.60 114.58 118.45 1x60 h GLU 31 Ca 0.36 -0.04 0.07 0.00 -0.13 0.00 0.00 59.36 59.62 1x60 h GLU 31 Cb -0.12 -0.15 -0.07 0.00 0.63 0.00 0.00 28.75 29.04 1x60 h GLU 31 CO -0.09 0.44 -0.18 0.00 -0.73 0.00 0.00 179.01 178.45 1x60 h ALA 32 N 1.61 0.04 0.00 2.92 0.00 -0.75 0.39 119.26 123.47 1x60 h ALA 32 Ca 0.39 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.38 1x60 h ALA 32 Cb 0.57 0.41 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 1x60 h ALA 32 CO -0.16 -0.57 -0.12 0.87 0.00 0.00 0.00 179.25 179.27 1x60 h LYS 33 N -0.14 0.00 0.00 0.00 1.79 -1.35 -3.46 116.57 113.41 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 0.38 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.03 1x60 h LYS 33 CO -0.39 0.12 0.00 0.41 -1.08 0.00 0.00 179.45 178.51 1x60 n GLY 34 N -1.08 1.57 3.93 3.86 0.00 0.14 -5.13 105.19 108.49 1x60 n GLY 34 Ca -0.02 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 -0.99 1.61 0.08 -0.97 -4.99 117.98 114.15 1x60 s PHE 35 Ca 0.00 0.07 -0.21 0.00 0.12 0.00 0.00 56.93 56.90 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 1.34 -0.51 -0.10 0.00 0.00 175.22 176.45 1x60 s ASP 36 N -3.39 6.55 0.59 1.36 1.11 -1.26 -4.10 116.67 117.53 1x60 s ASP 36 Ca 0.34 -1.67 -0.12 0.00 0.18 0.00 0.00 52.55 51.28 1x60 s ASP 36 Cb -0.10 -2.51 -0.05 0.00 1.07 0.00 0.00 42.92 41.33 1x60 s ASP 36 CO 0.28 -1.35 1.01 -0.44 1.18 0.00 0.00 175.17 175.85 1x60 s SER 37 N 4.50 6.32 -0.20 0.27 0.01 -1.26 -2.13 113.70 121.23 1x60 s SER 37 Ca 0.41 1.43 -0.22 0.00 1.31 0.00 0.00 55.95 58.89 1x60 s SER 37 Cb -0.02 -2.47 0.06 0.00 0.21 0.00 0.00 66.02 63.80 1x60 s SER 37 CO -0.10 -0.79 0.60 -0.51 0.41 0.00 0.00 173.24 172.85 1x60 s ILE 38 N -3.03 0.00 -0.22 1.44 2.07 0.12 -4.94 121.20 116.64 1x60 s ILE 38 Ca 0.56 -0.02 0.00 0.00 -1.41 0.00 0.00 60.65 59.77 1x60 s ILE 38 Cb -0.11 -0.85 0.03 0.00 0.13 0.00 0.00 42.46 41.66 1x60 s ILE 38 CO 0.48 -0.01 -0.13 -0.69 -1.91 0.00 0.00 174.94 172.68 1x60 s VAL 39 N 0.07 2.45 -0.17 4.00 1.01 -1.25 -1.07 120.40 125.43 1x60 s VAL 39 Ca -0.02 -1.07 -0.02 0.00 0.00 0.00 0.00 61.98 60.88 1x60 s VAL 39 Cb -0.04 -2.19 -0.01 0.00 0.00 0.00 0.00 36.38 34.14 1x60 s VAL 39 CO 0.02 0.31 -0.10 -0.22 0.00 0.00 0.00 175.10 175.11 1x60 s LEU 40 N 1.28 2.76 -0.33 3.92 2.96 -0.57 -4.90 118.68 123.80 1x60 s LEU 40 Ca 0.01 -0.37 -0.23 0.00 -0.22 0.00 0.00 54.13 53.31 1x60 s LEU 40 Cb -0.16 -1.66 0.00 0.00 0.50 0.00 0.00 46.19 44.88 1x60 s LEU 40 CO -0.08 0.07 0.77 -0.22 -1.32 0.00 0.00 176.35 175.57 1x60 s LEU 41 N 0.91 4.11 0.36 -0.68 2.96 -1.26 -0.79 118.68 124.29 1x60 s LEU 41 Ca -0.02 0.49 0.07 0.00 -0.22 0.00 0.00 54.13 54.46 1x60 s LEU 41 Cb -0.15 -3.03 -0.01 0.00 0.50 0.00 0.00 46.19 43.50 1x60 s LEU 41 CO -0.00 -0.66 0.42 -1.59 -1.32 0.00 0.00 176.35 173.21 1x60 s LYS 42 N 2.99 2.86 0.00 1.98 0.00 0.21 -4.94 119.74 122.84 1x60 s LYS 42 Ca 0.31 -1.22 -0.12 0.00 0.00 0.00 0.00 55.97 54.94 1x60 s LYS 42 Cb -0.14 -2.64 -0.15 0.00 0.00 0.00 0.00 37.83 34.90 1x60 s LYS 42 CO 0.14 -0.03 1.05 -0.25 0.00 0.00 0.00 175.35 176.26 1x60 n ASP 43 N -1.59 0.26 0.00 0.03 8.00 -1.26 -2.04 116.55 119.95 1x60 n ASP 43 Ca 0.01 -1.81 0.00 0.00 0.71 0.00 0.00 54.79 53.70 1x60 n ASP 43 Cb 0.59 -0.37 0.00 0.00 -0.02 0.00 0.00 41.12 41.32 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 4.15 1.36 3.12 0.44 0.00 -1.26 -5.13 105.19 107.87 1x60 n GLY 44 Ca 0.19 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.13 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 2.18 -0.14 0.99 1.43 -0.87 -4.52 118.68 117.75 1x60 s LEU 45 Ca 0.00 -0.91 -0.02 0.00 -1.03 0.00 0.00 54.13 52.17 1x60 s LEU 45 Cb 0.00 0.43 -0.02 0.00 0.03 0.00 0.00 46.19 46.63 1x60 s LEU 45 CO 0.00 -0.64 -0.08 -0.31 0.23 0.00 0.00 176.35 175.55 1x60 s TYR 46 N -3.91 2.93 0.04 0.29 1.51 0.23 0.63 117.35 119.08 1x60 s TYR 46 Ca 0.07 -0.43 0.02 0.00 -1.01 0.00 0.00 57.07 55.71 1x60 s TYR 46 Cb 0.07 -1.90 -0.04 0.00 -0.11 0.00 0.00 41.96 39.98 1x60 s TYR 46 CO -0.10 -0.10 0.08 0.15 -1.11 0.00 0.00 175.55 174.47 1x60 s LYS 47 N 0.32 2.96 -0.30 -0.62 3.01 0.03 0.14 119.74 125.28 1x60 s LYS 47 Ca -0.07 -0.60 0.02 0.00 -1.01 0.00 0.00 55.97 54.32 1x60 s LYS 47 Cb -0.15 -2.78 0.09 0.00 -1.01 0.00 0.00 37.83 33.98 1x60 s LYS 47 CO 0.04 0.60 0.01 0.08 0.51 0.00 0.00 175.35 176.60 1x60 s VAL 48 N -1.30 1.89 -0.02 3.17 1.01 0.16 -1.51 120.40 123.79 1x60 s VAL 48 Ca 0.26 -1.87 0.01 0.00 0.00 0.00 0.00 61.98 60.39 1x60 s VAL 48 Cb -0.12 -2.29 -0.03 0.00 0.00 0.00 0.00 36.38 33.94 1x60 s VAL 48 CO 0.18 -0.43 -0.03 -1.58 0.00 0.00 0.00 175.10 173.24 1x60 s GLN 49 N 1.14 2.74 -0.06 2.72 0.74 -0.23 -2.12 119.66 124.59 1x60 s GLN 49 Ca 0.05 -0.60 -0.00 0.00 0.05 0.00 0.00 55.36 54.85 1x60 s GLN 49 Cb -0.19 -2.63 0.03 0.00 1.10 0.00 0.00 33.01 31.32 1x60 s GLN 49 CO -0.10 0.64 -0.01 0.96 -0.55 0.00 0.00 175.29 176.22 1x60 s ILE 50 N -0.99 0.42 -0.00 -2.34 -5.25 0.35 0.15 121.20 113.53 1x60 s ILE 50 Ca 0.17 0.04 -0.00 0.00 -0.99 0.00 0.00 60.65 59.86 1x60 s ILE 50 Cb -0.11 -0.53 0.00 0.00 2.95 0.00 0.00 42.46 44.77 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 4.71 -2.91 2.88 6.27 0.00 -0.90 -2.94 105.19 112.30 1x60 n GLY 51 Ca -0.14 -0.46 -0.29 0.00 0.00 0.00 0.00 46.02 45.12 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 1.54 0.29 4.61 0.00 -1.26 -0.40 121.76 126.53 1x60 s ALA 52 Ca -0.00 -0.96 0.02 0.00 0.00 0.00 0.00 51.96 51.02 1x60 s ALA 52 Cb 0.00 -1.22 -0.05 0.00 0.00 0.00 0.00 23.12 21.85 1x60 s ALA 52 CO 0.01 -0.97 0.10 -0.06 0.00 0.00 0.00 175.76 174.83 1x60 s PHE 53 N 1.60 1.66 -0.62 0.00 0.40 -0.16 -4.99 117.98 115.87 1x60 s PHE 53 Ca -0.02 -1.16 0.25 0.00 -0.60 0.00 0.00 56.93 55.40 1x60 s PHE 53 Cb -0.17 -1.00 0.59 0.00 0.51 0.00 0.00 43.02 42.96 1x60 s PHE 53 CO -0.07 -0.28 1.65 1.03 0.70 0.00 0.00 175.22 178.24 1x60 h SER 54 N 2.26 0.00 -3.43 1.36 0.87 -1.95 -2.00 113.55 110.66 1x60 h SER 54 Ca -0.38 -0.03 -0.66 0.00 -1.23 0.00 0.00 61.79 59.49 1x60 h SER 54 Cb 1.25 0.00 -0.27 0.00 -0.44 0.00 0.00 62.40 62.94 1x60 h SER 54 CO 0.61 0.01 -0.77 -0.55 -0.53 0.00 0.00 176.83 175.61 1x60 s SER 55 N -4.99 3.98 0.32 6.23 0.15 -1.26 -4.62 113.70 113.50 1x60 s SER 55 Ca 0.09 -0.32 0.02 0.00 0.70 0.00 0.00 55.95 56.44 1x60 s SER 55 Cb 0.10 -1.49 0.58 0.00 -1.71 0.00 0.00 66.02 63.50 1x60 s SER 55 CO 0.64 0.19 1.94 0.50 1.20 0.00 0.00 173.24 177.71 1x60 h LYS 56 N 6.50 0.94 -1.28 5.44 3.64 -1.88 -1.72 116.57 128.21 1x60 h LYS 56 Ca -0.28 -0.06 0.37 0.00 -1.27 0.00 0.00 60.65 59.41 1x60 h LYS 56 Cb 1.21 -0.21 -0.08 0.00 -0.41 0.00 0.00 32.23 32.74 1x60 h LYS 56 CO 0.54 0.62 0.88 0.22 -2.27 0.00 0.00 179.45 179.45 1x60 h ASP 57 N 0.96 0.15 -0.02 4.20 3.58 -1.97 0.38 116.42 123.71 1x60 h ASP 57 Ca 0.34 0.04 -0.03 0.00 0.42 0.00 0.00 57.03 57.81 1x60 h ASP 57 Cb 0.13 0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.20 1x60 h ASP 57 CO -0.11 -0.01 -0.09 0.78 -2.88 0.00 0.00 179.24 176.93 1x60 h ASN 58 N 0.11 0.11 -0.48 2.28 4.21 -1.70 -2.71 115.58 117.40 1x60 h ASN 58 Ca 0.66 -0.67 0.02 0.00 1.21 0.00 0.00 56.30 57.53 1x60 h ASN 58 Cb 2.33 -0.03 -0.03 0.00 -1.12 0.00 0.00 38.32 39.46 1x60 h ASN 58 CO -0.15 0.76 0.29 0.00 -1.29 0.00 0.00 177.43 177.04 1x60 h ALA 59 N 0.35 0.62 0.05 -0.83 0.00 -0.41 -1.05 119.26 117.98 1x60 h ALA 59 Ca -0.01 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1x60 h ALA 59 Cb 0.76 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1x60 h ALA 59 CO 0.02 -0.02 -0.07 -0.44 0.00 0.00 0.00 179.25 178.74 1x60 h ASP 60 N 0.58 -0.18 -0.61 0.00 3.32 -0.86 0.29 116.42 118.95 1x60 h ASP 60 Ca 0.19 0.02 0.03 0.00 0.02 0.00 0.00 57.03 57.29 1x60 h ASP 60 Cb 0.02 0.07 -0.03 0.00 0.22 0.00 0.00 39.33 39.60 1x60 h ASP 60 CO -0.09 -0.10 0.40 0.74 -1.72 0.00 0.00 179.24 178.47 1x60 h THR 61 N -0.14 1.10 0.10 0.35 2.02 -1.26 -0.64 112.91 114.44 1x60 h THR 61 Ca 0.01 -0.26 -0.01 0.00 0.77 0.00 0.00 66.41 66.93 1x60 h THR 61 Cb 0.15 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 66.85 1x60 h THR 61 CO -0.04 0.14 -0.05 0.25 0.37 0.00 0.00 175.52 176.19 1x60 h LEU 62 N 0.75 -0.12 0.45 2.58 7.12 -0.66 -2.49 115.31 122.95 1x60 h LEU 62 Ca 0.24 -0.38 -0.01 0.00 0.13 0.00 0.00 57.88 57.86 1x60 h LEU 62 Cb 0.03 0.03 -0.03 0.00 -0.53 0.00 0.00 40.66 40.17 1x60 h LEU 62 CO -0.06 0.35 -0.50 0.00 -0.13 0.00 0.00 178.44 178.09 1x60 h ALA 63 N 0.20 -1.11 -0.96 1.25 0.00 -0.07 0.14 119.26 118.71 1x60 h ALA 63 Ca -0.01 -0.18 0.21 0.00 0.00 0.00 0.00 54.91 54.92 1x60 h ALA 63 Cb 0.49 0.74 -0.09 0.00 0.00 0.00 0.00 17.79 18.94 1x60 h ALA 63 CO 0.02 -1.17 0.62 0.00 0.00 0.00 0.00 179.25 178.72 1x60 h ALA 64 N -0.80 2.00 -0.67 0.00 0.00 -1.23 0.41 119.26 118.98 1x60 h ALA 64 Ca -0.05 0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1x60 h ALA 64 Cb 0.86 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 1x60 h ALA 64 CO -0.09 -0.34 0.09 -0.09 0.00 0.00 0.00 179.25 178.82 1x60 h ARG 65 N 0.55 1.11 -0.67 0.00 2.43 -0.83 -0.22 114.38 116.75 1x60 h ARG 65 Ca 0.53 -0.31 -0.06 0.00 -0.81 0.00 0.00 59.98 59.33 1x60 h ARG 65 Cb 1.11 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 30.50 1x60 h ARG 65 CO -0.27 1.02 0.20 0.00 -1.51 0.00 0.00 179.97 179.41 1x60 h ALA 66 N 1.05 0.88 -0.27 2.80 0.00 0.25 0.89 119.26 124.86 1x60 h ALA 66 Ca 0.20 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1x60 h ALA 66 Cb 0.46 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1x60 h ALA 66 CO 0.02 0.57 0.13 0.87 0.00 0.00 0.00 179.25 180.84 1x60 h LYS 67 N 0.99 0.39 0.00 0.00 1.57 0.02 1.25 116.57 120.79 1x60 h LYS 67 Ca 0.22 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.88 1x60 h LYS 67 Cb 0.32 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 1x60 h LYS 67 CO -0.00 0.38 -0.26 -0.97 -0.57 0.00 0.00 179.45 178.02 1x60 h ASN 68 N 0.31 0.00 1.47 0.86 -1.24 -0.72 -2.41 115.58 113.85 1x60 h ASN 68 Ca 0.09 0.00 -0.04 0.00 0.71 0.00 0.00 56.30 57.06 1x60 h ASN 68 Cb 0.12 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.16 1x60 h ASN 68 CO -0.01 0.26 -0.21 0.00 -1.29 0.00 0.00 177.43 176.18 1x60 h ALA 69 N 1.74 0.90 0.00 1.57 0.00 0.18 -3.47 119.26 120.19 1x60 h ALA 69 Ca -0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1x60 h ALA 69 Cb 0.68 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1x60 h ALA 69 CO 0.03 0.26 0.00 0.41 0.00 0.00 0.00 179.25 179.95 1x60 n GLY 70 N 0.79 1.73 3.16 0.00 0.00 0.28 -5.04 105.19 106.11 1x60 n GLY 70 Ca 0.02 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.86 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 0.41 -4.98 117.98 113.08 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 -0.68 0.20 0.00 -0.57 0.00 0.00 43.02 41.97 1x60 s PHE 71 CO 0.00 0.05 1.60 -3.47 -0.10 0.00 0.00 175.22 173.30 1x60 n ASP 72 N 1.43 5.39 -4.79 1.36 2.03 -1.26 -1.58 116.55 119.12 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 0.07 3.48 0.06 -1.67 0.00 -1.26 -4.07 121.76 118.38 1x60 s ALA 73 Ca 0.38 0.25 0.04 0.00 0.00 0.00 0.00 51.96 52.64 1x60 s ALA 73 Cb 0.03 -2.85 -0.03 0.00 0.00 0.00 0.00 23.12 20.27 1x60 s ALA 73 CO 0.01 0.33 -0.12 0.96 0.00 0.00 0.00 175.76 176.94 1x60 s ILE 74 N -1.18 0.89 -0.14 0.00 -4.36 0.16 -4.70 121.20 111.87 1x60 s ILE 74 Ca 0.35 -1.18 -0.06 0.00 -0.26 0.00 0.00 60.65 59.49 1x60 s ILE 74 Cb -0.21 -0.89 -0.04 0.00 1.25 0.00 0.00 42.46 42.57 1x60 s ILE 74 CO 0.24 -0.26 0.08 -0.69 0.24 0.00 0.00 174.94 174.55 1x60 s VAL 75 N -1.26 4.99 -0.00 8.37 1.01 -1.26 0.48 120.40 132.73 1x60 s VAL 75 Ca -0.05 0.02 0.00 0.00 0.00 0.00 0.00 61.98 61.96 1x60 s VAL 75 Cb -0.10 -3.19 -0.00 0.00 0.00 0.00 0.00 36.38 33.09 1x60 s VAL 75 CO 0.01 0.55 -0.01 0.27 0.00 0.00 0.00 175.10 175.92 1x60 s ILE 76 N -0.41 0.12 -0.51 2.22 -4.36 -0.50 -4.99 121.20 112.75 1x60 s ILE 76 Ca 0.10 -0.06 -0.20 0.00 -0.26 0.00 0.00 60.65 60.23 1x60 s ILE 76 Cb -0.12 -0.11 0.06 0.00 1.25 0.00 0.00 42.46 43.54 1x60 s ILE 76 CO 0.02 0.03 0.67 -0.22 0.24 0.00 0.00 174.94 175.68 1x60 s LEU 77 N -0.03 4.88 -0.30 0.37 2.96 -1.25 -2.45 118.68 122.86 1x60 s LEU 77 Ca 0.01 -0.86 -0.15 0.00 -0.22 0.00 0.00 54.13 52.90 1x60 s LEU 77 Cb -0.01 -2.49 -0.03 0.00 0.50 0.00 0.00 46.19 44.17 1x60 s LEU 77 CO -0.00 -0.94 0.39 -1.61 -1.32 0.00 0.00 176.35 172.87 1x60 s GLU 78 N 2.79 3.83 0.00 1.98 2.02 0.57 -4.73 118.70 125.16 1x60 s GLU 78 Ca 0.17 -0.12 0.31 0.00 0.02 0.00 0.00 54.97 55.35 1x60 s GLU 78 Cb -0.19 -3.72 1.76 0.00 0.10 0.00 0.00 34.13 32.08 1x60 s GLU 78 CO 0.13 -0.40 2.14 0.45 0.02 0.00 0.00 175.26 177.60