#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 -4.90 -3.52 1.96 5.02 -1.26 -5.08 118.16 110.38 1x60 n LYS 2 Ca 0.00 3.62 -0.14 0.00 -2.02 0.00 0.00 58.31 59.77 1x60 n LYS 2 Cb 0.00 -4.96 -0.05 0.00 -0.02 0.00 0.00 35.03 30.00 1x60 n LYS 2 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1x60 s LYS 3 N -0.64 1.10 0.18 1.97 -0.14 -1.26 -5.11 119.74 115.84 1x60 s LYS 3 Ca -0.18 -0.20 0.00 0.00 -1.36 0.00 0.00 55.97 54.23 1x60 s LYS 3 Cb 0.01 0.51 0.00 0.00 -1.68 0.00 0.00 37.83 36.67 1x60 s LYS 3 CO 0.48 -0.41 0.00 2.41 -0.76 0.00 0.00 175.35 177.06 1x60 n THR 4 N 0.29-12.52 -2.31 2.17 -1.04 -1.26 -4.88 114.28 94.72 1x60 n THR 4 Ca -0.18 3.10 -0.41 0.00 -2.04 0.00 0.00 64.05 64.51 1x60 n THR 4 Cb 0.61 -5.27 -0.03 0.00 -1.82 0.00 0.00 70.33 63.81 1x60 n THR 4 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1x60 s SER 5 N -0.47 7.01 -0.30 8.00 1.04 -1.26 -5.01 113.70 122.71 1x60 s SER 5 Ca 0.00 2.29 -0.08 0.00 0.48 0.00 0.00 55.95 58.64 1x60 s SER 5 Cb 0.00 -2.61 -0.00 0.00 0.10 0.00 0.00 66.02 63.51 1x60 s SER 5 CO 0.00 -0.44 0.11 -0.44 0.98 0.00 0.00 173.24 173.45 1x60 s SER 6 N 0.24 5.31 -0.36 7.02 0.01 -1.26 -5.01 113.70 119.65 1x60 s SER 6 Ca 0.54 -0.57 0.01 0.00 1.31 0.00 0.00 55.95 57.24 1x60 s SER 6 Cb -0.34 -1.94 0.18 0.00 0.21 0.00 0.00 66.02 64.14 1x60 s SER 6 CO 0.37 -0.18 0.79 -0.55 0.41 0.00 0.00 173.24 174.09 1x60 s SER 7 N 1.56 -1.08 0.00 2.44 0.15 -1.26 -5.14 113.70 110.37 1x60 s SER 7 Ca 0.04 -0.43 0.00 0.00 0.70 0.00 0.00 55.95 56.26 1x60 s SER 7 Cb -0.17 1.42 0.00 0.00 -1.71 0.00 0.00 66.02 65.56 1x60 s SER 7 CO 0.04 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 174.96 1x60 n GLY 8 N 4.32 -1.30 3.01 9.45 0.00 -1.25 -4.98 105.19 114.44 1x60 n GLY 8 Ca 0.09 -1.53 -0.12 0.00 0.00 0.00 0.00 46.02 44.46 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 -2.64 1.49 -0.45 0.99 1.43 0.32 -4.86 118.68 114.95 1x60 s LEU 9 Ca 0.00 0.26 -0.14 0.00 -1.03 0.00 0.00 54.13 53.23 1x60 s LEU 9 Cb 0.00 0.44 0.07 0.00 0.03 0.00 0.00 46.19 46.73 1x60 s LEU 9 CO 0.00 -0.05 0.34 -0.31 0.23 0.00 0.00 176.35 176.57 1x60 s TYR 10 N 0.09 3.26 0.12 0.29 2.02 -0.83 -0.97 117.35 121.34 1x60 s TYR 10 Ca -0.00 -1.03 0.08 0.00 -0.37 0.00 0.00 57.07 55.75 1x60 s TYR 10 Cb -0.01 -3.02 -0.04 0.00 -0.40 0.00 0.00 41.96 38.49 1x60 s TYR 10 CO 0.00 -0.78 -0.20 0.15 -1.57 0.00 0.00 175.55 173.15 1x60 s LYS 11 N 1.59 1.17 -0.06 -0.62 1.02 -1.03 -0.90 119.74 120.92 1x60 s LYS 11 Ca 0.04 -1.25 -0.02 0.00 0.02 0.00 0.00 55.97 54.76 1x60 s LYS 11 Cb -0.23 -1.35 -0.04 0.00 -0.52 0.00 0.00 37.83 35.69 1x60 s LYS 11 CO 0.06 0.30 0.08 0.08 -0.92 0.00 0.00 175.35 174.95 1x60 s VAL 12 N -1.49 4.83 -0.03 3.17 1.01 -0.23 -1.50 120.40 126.16 1x60 s VAL 12 Ca 0.10 -0.20 0.01 0.00 0.00 0.00 0.00 61.98 61.88 1x60 s VAL 12 Cb -0.08 -3.14 0.02 0.00 0.00 0.00 0.00 36.38 33.18 1x60 s VAL 12 CO 0.05 0.49 -0.02 -1.58 0.00 0.00 0.00 175.10 174.03 1x60 s GLN 13 N -1.33 0.50 0.00 2.72 0.74 0.20 0.12 119.66 122.60 1x60 s GLN 13 Ca 0.18 -0.04 0.16 0.00 0.05 0.00 0.00 55.36 55.72 1x60 s GLN 13 Cb -0.12 -0.58 -0.03 0.00 1.10 0.00 0.00 33.01 33.39 1x60 s GLN 13 CO 0.08 -0.07 0.84 0.44 -0.55 0.00 0.00 175.29 176.04 1x60 n ILE 14 N 3.85 0.00 0.00 -2.34 -0.00 -0.82 0.39 119.36 120.44 1x60 n ILE 14 Ca -0.24 -0.30 0.00 0.00 -0.00 0.00 0.00 62.75 62.21 1x60 n ILE 14 Cb 0.52 1.17 0.00 0.00 -0.00 0.00 0.00 39.64 41.33 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 1.19 1.02 3.30 3.28 0.00 -1.23 -4.52 105.19 108.23 1x60 n GLY 15 Ca 0.06 -1.19 -0.13 0.00 0.00 0.00 0.00 46.02 44.76 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 -1.99 -1.00 -0.00 4.61 0.00 -1.26 0.26 121.76 122.38 1x60 s ALA 16 Ca 0.00 0.98 -0.12 0.00 0.00 0.00 0.00 51.96 52.82 1x60 s ALA 16 Cb 0.00 -0.47 0.01 0.00 0.00 0.00 0.00 23.12 22.66 1x60 s ALA 16 CO 0.00 -0.22 0.24 -0.06 0.00 0.00 0.00 175.76 175.73 1x60 s PHE 17 N -0.20 -0.08 -0.17 0.00 0.40 0.35 -4.89 117.98 113.39 1x60 s PHE 17 Ca -0.04 0.07 0.23 0.00 -0.60 0.00 0.00 56.93 56.60 1x60 s PHE 17 Cb -0.03 0.04 1.23 0.00 0.51 0.00 0.00 43.02 44.77 1x60 s PHE 17 CO 0.02 -0.37 1.70 -0.22 0.70 0.00 0.00 175.22 177.05 1x60 h LYS 18 N 3.93 0.00 -5.29 0.44 3.64 -1.83 0.61 116.57 118.08 1x60 h LYS 18 Ca -0.30 0.00 -0.63 0.00 -1.27 0.00 0.00 60.65 58.45 1x60 h LYS 18 Cb 1.18 0.00 -0.19 0.00 -0.41 0.00 0.00 32.23 32.81 1x60 h LYS 18 CO 0.41 0.00 -0.62 0.08 -2.27 0.00 0.00 179.45 177.05 1x60 s VAL 19 N -3.57 4.31 0.13 2.00 1.01 -1.26 -4.63 120.40 118.40 1x60 s VAL 19 Ca -0.02 -0.21 -0.10 0.00 0.00 0.00 0.00 61.98 61.65 1x60 s VAL 19 Cb 0.07 -2.92 -0.10 0.00 0.00 0.00 0.00 36.38 33.43 1x60 s VAL 19 CO 0.22 0.48 1.40 0.50 0.00 0.00 0.00 175.10 177.69 1x60 h LYS 20 N 6.71 0.80 -0.38 2.72 3.64 -1.96 -2.05 116.57 126.04 1x60 h LYS 20 Ca -0.34 -0.54 0.06 0.00 -1.27 0.00 0.00 60.65 58.56 1x60 h LYS 20 Cb 1.18 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 33.06 1x60 h LYS 20 CO 0.66 1.17 0.26 0.00 -2.27 0.00 0.00 179.45 179.27 1x60 h ALA 21 N 0.71 2.05 0.05 5.00 0.00 -1.96 0.40 119.26 125.50 1x60 h ALA 21 Ca -0.00 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.66 1x60 h ALA 21 Cb 1.22 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 1x60 h ALA 21 CO 0.13 -0.13 -1.03 -0.91 0.00 0.00 0.00 179.25 177.31 1x60 h ASN 22 N 0.24 0.40 1.30 0.00 4.21 -1.91 -2.60 115.58 117.23 1x60 h ASN 22 Ca 0.17 -0.36 0.00 0.00 1.21 0.00 0.00 56.30 57.32 1x60 h ASN 22 Cb 0.37 -0.12 0.00 0.00 -1.12 0.00 0.00 38.32 37.45 1x60 h ASN 22 CO -0.03 1.20 0.00 0.00 -1.29 0.00 0.00 177.43 177.31 1x60 h ALA 23 N 0.76 1.00 0.18 -0.83 0.00 -0.02 -2.64 119.26 117.71 1x60 h ALA 23 Ca -0.09 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.49 1x60 h ALA 23 Cb 1.70 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.50 1x60 h ALA 23 CO 0.17 0.00 -1.60 -0.44 0.00 0.00 0.00 179.25 177.38 1x60 h ASP 24 N 0.00 0.59 -0.48 0.00 5.19 -0.26 -2.69 116.42 118.77 1x60 h ASP 24 Ca 0.00 -0.78 -0.08 0.00 -0.62 0.00 0.00 57.03 55.55 1x60 h ASP 24 Cb 0.65 -0.19 -0.02 0.00 0.18 0.00 0.00 39.33 39.95 1x60 h ASP 24 CO 0.00 1.64 0.01 -1.28 -3.12 0.00 0.00 179.24 176.49 1x60 h SER 25 N 0.10 0.87 0.00 6.45 0.87 -1.38 -1.56 113.55 118.90 1x60 h SER 25 Ca -0.28 -0.22 -0.00 0.00 -1.23 0.00 0.00 61.79 60.06 1x60 h SER 25 Cb 2.08 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 63.81 1x60 h SER 25 CO 0.20 0.92 -0.00 0.25 -0.53 0.00 0.00 176.83 177.67 1x60 h LEU 26 N 0.83 -0.01 -2.44 2.23 5.85 -1.57 -2.41 115.31 117.80 1x60 h LEU 26 Ca 0.16 -0.30 0.02 0.00 0.84 0.00 0.00 57.88 58.60 1x60 h LEU 26 Cb 0.48 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.51 1x60 h LEU 26 CO 0.02 0.29 0.09 0.00 -0.34 0.00 0.00 178.44 178.50 1x60 h ALA 27 N 0.69 1.53 -0.16 1.25 0.00 -1.32 -0.86 119.26 120.39 1x60 h ALA 27 Ca -0.00 -0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.72 1x60 h ALA 27 Cb 0.30 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.10 1x60 h ALA 27 CO 0.00 -0.12 -0.61 0.77 0.00 0.00 0.00 179.25 179.29 1x60 h SER 28 N 0.00 0.82 -0.31 0.00 0.02 -0.82 -2.53 113.55 110.73 1x60 h SER 28 Ca 0.03 -0.61 0.02 0.00 -0.84 0.00 0.00 61.79 60.39 1x60 h SER 28 Cb 0.20 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.48 1x60 h SER 28 CO -0.00 1.29 0.16 -0.55 -1.14 0.00 0.00 176.83 176.59 1x60 h ASN 29 N 0.40 0.24 -0.89 3.07 7.08 -0.72 -2.16 115.58 122.62 1x60 h ASN 29 Ca -0.03 0.01 -0.02 0.00 -3.08 0.00 0.00 56.30 53.19 1x60 h ASN 29 Cb 1.24 -0.04 -0.04 0.00 -2.08 0.00 0.00 38.32 37.40 1x60 h ASN 29 CO 0.13 0.18 0.49 0.00 -2.08 0.00 0.00 177.43 176.15 1x60 h ALA 30 N 1.16 1.14 -0.88 4.14 0.00 -1.54 -1.99 119.26 121.29 1x60 h ALA 30 Ca 0.13 -0.13 0.13 0.00 0.00 0.00 0.00 54.91 55.04 1x60 h ALA 30 Cb 0.04 -0.35 -0.07 0.00 0.00 0.00 0.00 17.79 17.40 1x60 h ALA 30 CO -0.08 0.64 0.57 1.49 0.00 0.00 0.00 179.25 181.86 1x60 h GLU 31 N 1.24 0.72 -0.25 0.00 4.22 -0.95 -1.36 114.58 118.19 1x60 h GLU 31 Ca 0.31 -0.04 0.06 0.00 0.08 0.00 0.00 59.36 59.77 1x60 h GLU 31 Cb 0.02 -0.16 -0.06 0.00 0.50 0.00 0.00 28.75 29.05 1x60 h GLU 31 CO -0.05 0.47 -0.14 0.00 -2.18 0.00 0.00 179.01 177.11 1x60 h ALA 32 N 1.59 0.05 0.00 2.92 0.00 -0.87 0.28 119.26 123.24 1x60 h ALA 32 Ca 0.43 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.41 1x60 h ALA 32 Cb 0.62 0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 1x60 h ALA 32 CO -0.19 -0.55 -0.11 0.87 0.00 0.00 0.00 179.25 179.27 1x60 h LYS 33 N -0.12 0.00 0.00 0.00 1.79 -1.31 -3.46 116.57 113.48 1x60 h LYS 33 Ca 0.14 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.61 1x60 h LYS 33 Cb 0.33 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.98 1x60 h LYS 33 CO -0.33 0.11 0.00 0.41 -1.08 0.00 0.00 179.45 178.56 1x60 n GLY 34 N -1.12 1.71 3.94 3.86 0.00 0.99 -5.13 105.19 109.44 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 3.46 -0.84 1.61 0.08 -0.89 -4.98 117.98 114.41 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 1.19 -0.51 -0.10 0.00 0.00 175.22 176.30 1x60 s ASP 36 N -3.37 6.39 0.54 1.36 1.11 -1.26 -4.04 116.67 117.40 1x60 s ASP 36 Ca 0.34 -1.32 -0.15 0.00 0.18 0.00 0.00 52.55 51.60 1x60 s ASP 36 Cb -0.11 -2.48 -0.07 0.00 1.07 0.00 0.00 42.92 41.34 1x60 s ASP 36 CO 0.28 -1.42 0.99 -0.94 1.18 0.00 0.00 175.17 175.27 1x60 s SER 37 N 4.02 6.51 -0.20 0.27 1.04 -1.26 -1.86 113.70 122.22 1x60 s SER 37 Ca 0.34 1.52 -0.17 0.00 0.48 0.00 0.00 55.95 58.11 1x60 s SER 37 Cb -0.07 -2.49 0.05 0.00 0.10 0.00 0.00 66.02 63.61 1x60 s SER 37 CO 0.00 -0.66 0.52 -0.51 0.98 0.00 0.00 173.24 173.57 1x60 s ILE 38 N -2.77 -0.00 -0.26 -1.02 2.07 0.11 -4.95 121.20 114.37 1x60 s ILE 38 Ca 0.58 0.01 -0.02 0.00 -1.41 0.00 0.00 60.65 59.81 1x60 s ILE 38 Cb -0.10 -0.74 0.03 0.00 0.13 0.00 0.00 42.46 41.78 1x60 s ILE 38 CO 0.38 0.01 -0.04 -0.69 -1.91 0.00 0.00 174.94 172.68 1x60 s VAL 39 N 0.56 2.92 -0.17 4.00 1.01 -1.25 -1.18 120.40 126.27 1x60 s VAL 39 Ca -0.02 -1.11 -0.02 0.00 0.00 0.00 0.00 61.98 60.83 1x60 s VAL 39 Cb -0.04 -2.53 -0.01 0.00 0.00 0.00 0.00 36.38 33.79 1x60 s VAL 39 CO -0.03 0.12 -0.09 -0.22 0.00 0.00 0.00 175.10 174.88 1x60 s LEU 40 N 1.31 2.83 -0.37 3.92 2.96 -0.76 -4.90 118.68 123.67 1x60 s LEU 40 Ca -0.01 -0.35 -0.23 0.00 -0.22 0.00 0.00 54.13 53.32 1x60 s LEU 40 Cb -0.17 -1.68 0.01 0.00 0.50 0.00 0.00 46.19 44.85 1x60 s LEU 40 CO -0.03 0.08 0.76 -0.22 -1.32 0.00 0.00 176.35 175.61 1x60 s LEU 41 N 0.87 4.16 0.39 -0.68 2.96 -1.26 -0.70 118.68 124.42 1x60 s LEU 41 Ca -0.02 0.28 0.06 0.00 -0.22 0.00 0.00 54.13 54.22 1x60 s LEU 41 Cb -0.15 -2.98 0.00 0.00 0.50 0.00 0.00 46.19 43.56 1x60 s LEU 41 CO 0.01 -0.73 0.54 -1.59 -1.32 0.00 0.00 176.35 173.26 1x60 s LYS 42 N 3.05 2.99 0.00 1.98 0.00 0.23 -4.93 119.74 123.06 1x60 s LYS 42 Ca 0.30 -1.00 -0.16 0.00 0.00 0.00 0.00 55.97 55.11 1x60 s LYS 42 Cb -0.13 -2.75 -0.20 0.00 0.00 0.00 0.00 37.83 34.75 1x60 s LYS 42 CO 0.17 -0.13 1.15 -3.47 0.00 0.00 0.00 175.35 173.08 1x60 n ASP 43 N -1.80 0.36 0.00 0.03 2.03 -1.26 -1.99 116.55 113.91 1x60 n ASP 43 Ca 0.03 -1.90 0.00 0.00 0.52 0.00 0.00 54.79 53.44 1x60 n ASP 43 Cb 0.58 -0.38 0.00 0.00 -0.72 0.00 0.00 41.12 40.60 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 4.33 1.27 3.25 0.27 0.00 -1.26 -5.13 105.19 107.92 1x60 n GLY 44 Ca 0.25 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.17 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 1.31 -0.10 0.99 1.43 -0.84 -4.55 118.68 116.91 1x60 s LEU 45 Ca 0.00 -1.10 0.01 0.00 -1.03 0.00 0.00 54.13 52.01 1x60 s LEU 45 Cb 0.00 0.71 -0.02 0.00 0.03 0.00 0.00 46.19 46.91 1x60 s LEU 45 CO 0.00 -0.83 -0.11 -0.31 0.23 0.00 0.00 176.35 175.33 1x60 s TYR 46 N -4.03 2.82 0.06 0.29 1.51 0.21 0.74 117.35 118.96 1x60 s TYR 46 Ca 0.24 -0.37 0.03 0.00 -1.01 0.00 0.00 57.07 55.96 1x60 s TYR 46 Cb 0.05 -1.78 -0.04 0.00 -0.11 0.00 0.00 41.96 40.09 1x60 s TYR 46 CO 0.03 -0.00 0.01 0.15 -1.11 0.00 0.00 175.55 174.63 1x60 s LYS 47 N -0.11 2.69 -0.32 -0.62 3.01 0.12 0.13 119.74 124.63 1x60 s LYS 47 Ca -0.01 -0.74 0.04 0.00 -1.01 0.00 0.00 55.97 54.25 1x60 s LYS 47 Cb -0.14 -2.62 0.09 0.00 -1.01 0.00 0.00 37.83 34.16 1x60 s LYS 47 CO 0.03 0.57 0.03 0.08 0.51 0.00 0.00 175.35 176.57 1x60 s VAL 48 N -1.25 2.17 -0.05 3.17 1.01 0.14 -1.82 120.40 123.77 1x60 s VAL 48 Ca 0.24 -2.17 -0.00 0.00 0.00 0.00 0.00 61.98 60.05 1x60 s VAL 48 Cb -0.12 -2.56 -0.03 0.00 0.00 0.00 0.00 36.38 33.67 1x60 s VAL 48 CO 0.16 -0.51 -0.00 -1.58 0.00 0.00 0.00 175.10 173.17 1x60 s GLN 49 N 0.98 2.88 -0.06 2.72 0.74 -0.33 -1.95 119.66 124.64 1x60 s GLN 49 Ca 0.08 -0.51 -0.01 0.00 0.05 0.00 0.00 55.36 54.98 1x60 s GLN 49 Cb -0.19 -2.73 0.03 0.00 1.10 0.00 0.00 33.01 31.22 1x60 s GLN 49 CO -0.08 0.67 -0.01 0.96 -0.55 0.00 0.00 175.29 176.27 1x60 s ILE 50 N -0.97 0.43 -0.00 -2.34 -5.25 0.32 0.07 121.20 113.45 1x60 s ILE 50 Ca 0.16 0.04 -0.00 0.00 -0.99 0.00 0.00 60.65 59.86 1x60 s ILE 50 Cb -0.11 -0.54 0.00 0.00 2.95 0.00 0.00 42.46 44.75 1x60 s ILE 50 CO 0.06 0.25 0.01 0.61 -1.79 0.00 0.00 174.94 174.07 1x60 n GLY 51 N 4.79 -2.99 3.01 6.27 0.00 -0.78 -3.15 105.19 112.35 1x60 n GLY 51 Ca -0.13 -0.43 -0.27 0.00 0.00 0.00 0.00 46.02 45.18 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 -0.03 1.51 0.25 4.61 0.00 -1.26 -1.07 121.76 125.77 1x60 s ALA 52 Ca -0.01 -0.62 -0.01 0.00 0.00 0.00 0.00 51.96 51.32 1x60 s ALA 52 Cb 0.00 -0.80 -0.03 0.00 0.00 0.00 0.00 23.12 22.29 1x60 s ALA 52 CO 0.02 -0.13 0.25 -0.06 0.00 0.00 0.00 175.76 175.84 1x60 s PHE 53 N 1.12 1.16 -0.63 0.00 0.40 -0.08 -5.00 117.98 114.95 1x60 s PHE 53 Ca -0.05 -1.34 0.25 0.00 -0.60 0.00 0.00 56.93 55.19 1x60 s PHE 53 Cb -0.14 -0.43 0.55 0.00 0.51 0.00 0.00 43.02 43.51 1x60 s PHE 53 CO -0.03 -0.80 1.58 0.77 0.70 0.00 0.00 175.22 177.44 1x60 h SER 54 N 2.40 0.00 -3.32 1.36 0.02 -1.95 -2.21 113.55 109.85 1x60 h SER 54 Ca -0.31 -0.06 -0.65 0.00 -0.84 0.00 0.00 61.79 59.92 1x60 h SER 54 Cb 1.24 0.00 -0.26 0.00 0.14 0.00 0.00 62.40 63.53 1x60 h SER 54 CO 0.45 0.03 -0.73 -0.55 -1.14 0.00 0.00 176.83 174.89 1x60 s SER 55 N -4.75 4.26 0.40 3.07 0.15 -1.26 -4.69 113.70 110.87 1x60 s SER 55 Ca 0.08 -0.28 0.11 0.00 0.70 0.00 0.00 55.95 56.56 1x60 s SER 55 Cb 0.11 -1.67 0.92 0.00 -1.71 0.00 0.00 66.02 63.67 1x60 s SER 55 CO 0.66 0.14 1.96 0.50 1.20 0.00 0.00 173.24 177.69 1x60 h LYS 56 N 6.90 0.53 -0.77 5.44 3.11 -1.90 -0.65 116.57 129.24 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 -0.12 -0.04 0.00 -1.00 0.00 0.00 32.23 32.27 1x60 h LYS 56 CO 0.58 0.35 0.55 0.38 -2.81 0.00 0.00 179.45 178.50 1x60 h ASP 57 N 0.55 0.07 0.01 4.20 3.04 -1.98 -0.23 116.42 122.09 1x60 h ASP 57 Ca 0.31 0.01 -0.00 0.00 -3.24 0.00 0.00 57.03 54.11 1x60 h ASP 57 Cb 0.50 -0.01 0.00 0.00 -1.04 0.00 0.00 39.33 38.78 1x60 h ASP 57 CO -0.10 0.03 -0.01 0.78 -2.04 0.00 0.00 179.24 177.90 1x60 h ASN 58 N 0.08 -0.01 -0.99 4.15 2.35 -1.50 -2.63 115.58 117.02 1x60 h ASN 58 Ca 0.37 -0.53 0.01 0.00 -0.55 0.00 0.00 56.30 55.61 1x60 h ASN 58 Cb 1.37 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 39.70 1x60 h ASN 58 CO -0.03 0.52 0.65 0.00 -1.65 0.00 0.00 177.43 176.93 1x60 h ALA 59 N 0.42 1.27 0.15 -0.83 0.00 -1.24 -1.76 119.26 117.27 1x60 h ALA 59 Ca -0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1x60 h ALA 59 Cb 0.54 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1x60 h ALA 59 CO 0.00 0.63 -0.07 -0.44 0.00 0.00 0.00 179.25 179.37 1x60 h ASP 60 N 1.33 -0.17 -0.64 0.00 3.32 -1.12 0.30 116.42 119.43 1x60 h ASP 60 Ca 0.37 -0.01 0.03 0.00 0.02 0.00 0.00 57.03 57.43 1x60 h ASP 60 Cb -0.13 0.04 -0.04 0.00 0.22 0.00 0.00 39.33 39.43 1x60 h ASP 60 CO -0.09 -0.10 0.43 0.71 -1.72 0.00 0.00 179.24 178.47 1x60 h THR 61 N -0.22 1.10 0.11 0.35 1.35 -1.21 -0.66 112.91 113.72 1x60 h THR 61 Ca -0.02 -0.27 -0.01 0.00 -0.55 0.00 0.00 66.41 65.57 1x60 h THR 61 Cb 0.17 0.25 0.00 0.00 -1.73 0.00 0.00 68.15 66.84 1x60 h THR 61 CO 0.03 0.14 -0.05 0.25 -0.25 0.00 0.00 175.52 175.64 1x60 h LEU 62 N 0.78 -0.12 0.32 3.87 7.12 -0.94 -2.40 115.31 123.94 1x60 h LEU 62 Ca 0.25 -0.38 0.00 0.00 0.13 0.00 0.00 57.88 57.89 1x60 h LEU 62 Cb 0.05 0.03 -0.03 0.00 -0.53 0.00 0.00 40.66 40.18 1x60 h LEU 62 CO -0.07 0.34 -0.48 0.00 -0.13 0.00 0.00 178.44 178.11 1x60 h ALA 63 N 0.17 -0.99 -0.92 1.25 0.00 -0.04 0.13 119.26 118.86 1x60 h ALA 63 Ca -0.01 -0.14 0.18 0.00 0.00 0.00 0.00 54.91 54.93 1x60 h ALA 63 Cb 0.49 0.75 -0.08 0.00 0.00 0.00 0.00 17.79 18.95 1x60 h ALA 63 CO 0.02 -1.11 0.59 0.00 0.00 0.00 0.00 179.25 178.76 1x60 h ALA 64 N -0.58 1.96 -0.64 0.00 0.00 -1.23 0.38 119.26 119.15 1x60 h ALA 64 Ca -0.03 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1x60 h ALA 64 Cb 0.79 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 1x60 h ALA 64 CO -0.16 -0.25 0.15 -0.09 0.00 0.00 0.00 179.25 178.90 1x60 h ARG 65 N 0.58 1.01 -0.63 0.00 2.43 -0.72 -0.10 114.38 116.95 1x60 h ARG 65 Ca 0.48 -0.23 -0.07 0.00 -0.81 0.00 0.00 59.98 59.35 1x60 h ARG 65 Cb 0.95 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 30.34 1x60 h ARG 65 CO -0.23 0.90 0.12 0.00 -1.51 0.00 0.00 179.97 179.26 1x60 h ALA 66 N 1.19 0.84 -0.28 2.80 0.00 0.23 0.86 119.26 124.90 1x60 h ALA 66 Ca 0.20 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1x60 h ALA 66 Cb 0.35 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1x60 h ALA 66 CO 0.00 0.58 0.15 0.87 0.00 0.00 0.00 179.25 180.85 1x60 h LYS 67 N 0.95 0.39 0.00 0.00 1.57 0.19 1.34 116.57 121.02 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 0.40 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 1x60 h LYS 67 CO 0.01 0.35 -0.27 -0.97 -0.57 0.00 0.00 179.45 178.00 1x60 h ASN 68 N 0.33 0.00 1.49 0.86 -1.24 -0.72 -2.46 115.58 113.83 1x60 h ASN 68 Ca 0.10 0.00 -0.05 0.00 0.71 0.00 0.00 56.30 57.06 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 -0.22 0.00 -1.29 0.00 0.00 177.43 176.18 1x60 h ALA 69 N 1.73 0.90 0.00 1.57 0.00 0.18 -3.47 119.26 120.17 1x60 h ALA 69 Ca -0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1x60 h ALA 69 Cb 0.68 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1x60 h ALA 69 CO 0.04 0.27 0.00 0.41 0.00 0.00 0.00 179.25 179.97 1x60 n GLY 70 N 0.82 1.76 3.14 0.00 0.00 0.44 -5.04 105.19 106.31 1x60 n GLY 70 Ca 0.02 0.00 -0.18 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 1.12 -1.21 1.61 0.08 0.43 -4.98 117.98 113.03 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 -0.65 0.20 0.00 -0.57 0.00 0.00 43.02 42.01 1x60 s PHE 71 CO 0.00 0.03 1.59 -3.47 -0.10 0.00 0.00 175.22 173.27 1x60 n ASP 72 N 1.53 5.39 -4.80 1.36 2.03 -1.26 -1.35 116.55 119.46 1x60 n ASP 72 Ca -0.20 -3.11 -0.37 0.00 0.52 0.00 0.00 54.79 51.62 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 0.06 3.40 0.07 -1.67 0.00 -1.26 -4.10 121.76 118.26 1x60 s ALA 73 Ca 0.38 0.28 0.03 0.00 0.00 0.00 0.00 51.96 52.66 1x60 s ALA 73 Cb 0.03 -2.92 -0.03 0.00 0.00 0.00 0.00 23.12 20.20 1x60 s ALA 73 CO 0.01 0.29 -0.09 0.96 0.00 0.00 0.00 175.76 176.93 1x60 s ILE 74 N -1.41 0.74 -0.14 0.00 -4.36 0.16 -4.69 121.20 111.51 1x60 s ILE 74 Ca 0.41 -1.37 -0.05 0.00 -0.26 0.00 0.00 60.65 59.38 1x60 s ILE 74 Cb -0.19 -1.01 -0.04 0.00 1.25 0.00 0.00 42.46 42.47 1x60 s ILE 74 CO 0.23 -0.47 0.04 -0.69 0.24 0.00 0.00 174.94 174.29 1x60 s VAL 75 N -1.95 4.62 -0.01 8.37 1.01 -1.26 0.62 120.40 131.80 1x60 s VAL 75 Ca -0.02 -0.11 0.02 0.00 0.00 0.00 0.00 61.98 61.87 1x60 s VAL 75 Cb -0.06 -3.02 -0.00 0.00 0.00 0.00 0.00 36.38 33.30 1x60 s VAL 75 CO -0.00 0.54 -0.05 -0.51 0.00 0.00 0.00 175.10 175.07 1x60 s ILE 76 N -0.25 0.44 -0.51 2.22 2.07 -0.56 -4.99 121.20 119.61 1x60 s ILE 76 Ca 0.07 -0.22 -0.18 0.00 -1.41 0.00 0.00 60.65 58.91 1x60 s ILE 76 Cb -0.12 -0.38 0.07 0.00 0.13 0.00 0.00 42.46 42.16 1x60 s ILE 76 CO 0.02 0.13 0.54 -0.22 -1.91 0.00 0.00 174.94 173.50 1x60 s LEU 77 N -0.05 5.33 -0.18 8.50 2.96 -1.25 -2.46 118.68 131.52 1x60 s LEU 77 Ca 0.01 -1.17 -0.07 0.00 -0.22 0.00 0.00 54.13 52.68 1x60 s LEU 77 Cb -0.03 -2.32 -0.04 0.00 0.50 0.00 0.00 46.19 44.30 1x60 s LEU 77 CO -0.00 -0.82 0.05 -1.61 -1.32 0.00 0.00 176.35 172.64 1x60 s GLU 78 N 2.21 3.90 0.00 1.98 2.02 -0.14 -4.75 118.70 123.93 1x60 s GLU 78 Ca 0.10 -0.38 0.12 0.00 0.02 0.00 0.00 54.97 54.82 1x60 s GLU 78 Cb -0.22 -3.18 0.09 0.00 0.10 0.00 0.00 34.13 30.92 1x60 s GLU 78 CO 0.09 0.23 0.87 0.43 0.02 0.00 0.00 175.26 176.90