#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x68 s SER 2 N 0.00 2.93 0.24 1.61 1.04 -1.26 -5.17 113.70 113.10 1x68 s SER 2 Ca 0.00 -1.27 0.10 0.00 0.48 0.00 0.00 55.95 55.26 1x68 s SER 2 Cb 0.00 -0.20 -0.05 0.00 0.10 0.00 0.00 66.02 65.87 1x68 s SER 2 CO 0.00 -0.42 -0.18 -0.94 0.98 0.00 0.00 173.24 172.68 1x68 s SER 3 N -3.51 3.15 -0.01 7.02 1.04 -1.26 -4.74 113.70 115.39 1x68 s SER 3 Ca 0.33 -1.01 0.00 0.00 0.48 0.00 0.00 55.95 55.74 1x68 s SER 3 Cb 0.06 -0.23 0.00 0.00 0.10 0.00 0.00 66.02 65.95 1x68 s SER 3 CO 0.14 -0.04 0.00 0.61 0.98 0.00 0.00 173.24 174.93 1x68 n GLY 4 N -0.46 0.46 1.05 7.32 0.00 -1.26 -4.93 105.19 107.37 1x68 n GLY 4 Ca -0.07 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1x68 n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x68 n SER 5 N -0.01 1.72 0.00 1.61 3.41 -1.26 -2.68 113.62 116.41 1x68 n SER 5 Ca -0.00 -1.14 0.00 0.00 -0.26 0.00 0.00 58.87 57.47 1x68 n SER 5 Cb 0.04 -0.30 0.00 0.00 -0.26 0.00 0.00 64.21 63.70 1x68 n SER 5 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1x68 n SER 6 N 0.79 0.00 0.00 4.04 2.88 -1.26 -5.14 113.62 114.93 1x68 n SER 6 Ca 0.00 -1.00 0.00 0.00 -1.33 0.00 0.00 58.87 56.54 1x68 n SER 6 Cb 0.27 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.73 1x68 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x68 n GLY 7 N 0.00 -1.04 3.68 0.46 0.00 -1.09 -4.52 105.19 102.67 1x68 n GLY 7 Ca 0.00 -0.79 -0.46 0.00 0.00 0.00 0.00 46.02 44.77 1x68 n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x68 n VAL 9 N 4.49 1.48 0.18 0.00 0.31 -0.68 0.17 118.33 124.27 1x68 n VAL 9 Ca 0.20 0.37 0.07 0.00 -0.01 0.00 0.00 64.34 64.97 1x68 n VAL 9 Cb 0.31 -1.33 0.13 0.00 -0.91 0.00 0.00 33.84 32.04 1x68 n VAL 9 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1x68 n ALA 10 N -1.40 2.35 -1.08 3.52 0.00 -1.26 -4.76 120.51 117.88 1x68 n ALA 10 Ca 0.01 -0.89 0.00 0.00 0.00 0.00 0.00 53.44 52.55 1x68 n ALA 10 Cb 0.02 -0.51 0.00 0.00 0.00 0.00 0.00 19.45 18.96 1x68 n ALA 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x68 n SER 12 N 0.00 -4.35 -4.77 0.00 3.41 0.13 -4.87 113.62 103.16 1x68 n SER 12 Ca 0.00 0.11 -0.35 0.00 -0.26 0.00 0.00 58.87 58.37 1x68 n SER 12 Cb 0.10 -3.01 0.01 0.00 -0.26 0.00 0.00 64.21 61.04 1x68 n SER 12 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1x68 s LYS 13 N -2.00 3.27 0.01 4.33 -0.14 -1.26 -4.44 119.74 119.50 1x68 s LYS 13 Ca 0.00 1.63 -0.30 0.00 -1.36 0.00 0.00 55.97 55.94 1x68 s LYS 13 Cb 0.00 -1.99 -0.06 0.00 -1.68 0.00 0.00 37.83 34.10 1x68 s LYS 13 CO 0.00 -0.92 1.40 -1.25 -0.76 0.00 0.00 175.35 173.81 1x68 s PRO 14 N -3.33 4.29 0.52 -1.68 0.04 -1.26 -1.78 135.00 131.79 1x68 s PRO 14 Ca 0.73 1.97 -0.21 0.00 0.04 0.00 0.00 61.00 63.53 1x68 s PRO 14 Cb -0.25 -3.55 -0.06 0.00 0.04 0.00 0.00 34.50 30.68 1x68 s PRO 14 CO 0.29 -0.56 1.17 0.42 0.04 0.00 0.00 177.00 178.36 1x68 s ILE 15 N 2.31 2.97 0.20 0.56 -1.09 -1.26 -4.94 121.20 119.95 1x68 s ILE 15 Ca 0.64 0.67 -0.30 0.00 -2.23 0.00 0.00 60.65 59.42 1x68 s ILE 15 Cb -0.32 -3.30 -0.08 0.00 -1.58 0.00 0.00 42.46 37.18 1x68 s ILE 15 CO 0.27 -0.07 1.19 -0.55 -1.23 0.00 0.00 174.94 174.54 1x68 s SER 16 N -1.50 7.10 0.00 3.58 0.15 -1.26 -5.03 113.70 116.74 1x68 s SER 16 Ca 0.70 2.26 0.00 0.00 0.70 0.00 0.00 55.95 59.60 1x68 s SER 16 Cb -0.28 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.42 1x68 s SER 16 CO 0.33 -0.34 0.00 0.61 1.20 0.00 0.00 173.24 175.03 1x68 n GLY 17 N 1.99 0.32 2.73 9.45 0.00 -1.26 -4.71 105.19 113.71 1x68 n GLY 17 Ca 0.03 -0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 1x68 n GLY 17 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x68 n LEU 18 N 0.00 6.82 0.00 0.99 4.32 -1.26 -4.10 117.00 123.77 1x68 n LEU 18 Ca 0.00 -4.10 0.00 0.00 -0.02 0.00 0.00 56.01 51.89 1x68 n LEU 18 Cb 0.00 -1.64 0.00 0.00 -1.62 0.00 0.00 43.42 40.16 1x68 n LEU 18 CO 0.00 1.08 0.08 0.41 -1.22 0.00 0.00 177.39 177.74 1x68 n THR 19 N 5.10 0.00 -2.08 -5.08 -1.04 -1.26 -5.03 114.28 104.88 1x68 n THR 19 Ca 0.52 -0.29 -0.20 0.00 -2.04 0.00 0.00 64.05 62.04 1x68 n THR 19 Cb 0.39 1.23 -0.04 0.00 -1.82 0.00 0.00 70.33 70.09 1x68 n THR 19 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1x68 n GLY 20 N 0.26 0.46 3.76 3.41 0.00 -1.26 -4.96 105.19 106.86 1x68 n GLY 20 Ca 0.00 -0.03 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 1x68 n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x68 s ALA 21 N -2.92 2.24 -0.24 4.61 0.00 -1.26 -5.02 121.76 119.17 1x68 s ALA 21 Ca 0.00 0.39 -0.15 0.00 0.00 0.00 0.00 51.96 52.19 1x68 s ALA 21 Cb 0.00 -3.31 -0.04 0.00 0.00 0.00 0.00 23.12 19.78 1x68 s ALA 21 CO 0.00 -1.74 0.39 -1.59 0.00 0.00 0.00 175.76 172.82 1x68 s LYS 22 N -4.65 4.09 0.15 0.00 -2.85 -1.26 -5.05 119.74 110.18 1x68 s LYS 22 Ca 0.64 0.12 -0.06 0.00 -1.00 0.00 0.00 55.97 55.66 1x68 s LYS 22 Cb -0.19 -3.60 -0.02 0.00 -2.06 0.00 0.00 37.83 31.97 1x68 s LYS 22 CO 0.52 -0.16 0.21 -0.59 0.10 0.00 0.00 175.35 175.43 1x68 s PHE 23 N 1.70 0.53 -0.05 1.78 -0.71 -1.26 -4.24 117.98 115.74 1x68 s PHE 23 Ca 0.17 -0.90 0.04 0.00 -1.04 0.00 0.00 56.93 55.20 1x68 s PHE 23 Cb -0.15 -0.19 -0.02 0.00 -1.21 0.00 0.00 43.02 41.44 1x68 s PHE 23 CO 0.09 -0.65 -0.16 0.42 -1.34 0.00 0.00 175.22 173.58 1x68 s ILE 24 N -3.99 2.89 -0.10 -4.49 -1.09 0.35 -4.93 121.20 109.84 1x68 s ILE 24 Ca 0.19 -0.79 -0.01 0.00 -2.23 0.00 0.00 60.65 57.81 1x68 s ILE 24 Cb 0.05 -2.11 0.03 0.00 -1.58 0.00 0.00 42.46 38.84 1x68 s ILE 24 CO -0.00 0.59 -0.06 0.00 -1.23 0.00 0.00 174.94 174.24 1x68 s PHE 26 N 1.76 0.02 -1.23 0.00 5.36 -1.21 -4.96 117.98 117.73 1x68 s PHE 26 Ca 0.05 -0.12 -0.02 0.00 -0.96 0.00 0.00 56.93 55.89 1x68 s PHE 26 Cb -0.12 -0.03 0.00 0.00 -0.34 0.00 0.00 43.02 42.52 1x68 s PHE 26 CO -0.07 -0.31 0.03 0.94 -1.46 0.00 0.00 175.22 174.34 1x68 n GLN 27 N 1.34 -0.92 -3.85 10.12 7.27 -1.26 -1.18 117.38 128.90 1x68 n GLN 27 Ca -0.22 0.07 -0.29 0.00 0.07 0.00 0.00 57.00 56.62 1x68 n GLN 27 Cb 0.56 -2.81 0.03 0.00 2.41 0.00 0.00 30.24 30.43 1x68 n GLN 27 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 1x68 n ASP 28 N -2.22 -5.00 -4.26 1.69 2.03 -1.26 -4.99 116.55 102.55 1x68 n ASP 28 Ca -0.26 -0.73 -0.14 0.00 0.52 0.00 0.00 54.79 54.18 1x68 n ASP 28 Cb 0.56 -3.98 -0.10 0.00 -0.72 0.00 0.00 41.12 36.87 1x68 n ASP 28 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1x68 s SER 29 N -3.27 1.31 -0.15 1.67 0.15 -0.32 -5.09 113.70 108.00 1x68 s SER 29 Ca 0.65 -1.19 0.02 0.00 0.70 0.00 0.00 55.95 56.13 1x68 s SER 29 Cb -0.32 0.10 0.01 0.00 -1.71 0.00 0.00 66.02 64.10 1x68 s SER 29 CO 0.80 -0.56 -0.20 -1.10 1.20 0.00 0.00 173.24 173.38 1x68 s GLN 30 N -3.91 3.06 -0.09 5.44 -1.52 -1.26 -3.34 119.66 118.04 1x68 s GLN 30 Ca 0.25 -0.82 0.00 0.00 -1.95 0.00 0.00 55.36 52.84 1x68 s GLN 30 Cb 0.06 -2.51 0.02 0.00 -0.22 0.00 0.00 33.01 30.36 1x68 s GLN 30 CO 0.05 -0.05 -0.07 -1.58 -0.25 0.00 0.00 175.29 173.39 1x68 s TRP 31 N 0.91 1.28 0.69 0.91 0.51 -0.31 -1.69 118.94 121.24 1x68 s TRP 31 Ca -0.04 -0.54 -0.14 0.00 -2.12 0.00 0.00 56.10 53.25 1x68 s TRP 31 Cb -0.15 -1.06 0.01 0.00 -0.81 0.00 0.00 33.47 31.47 1x68 s TRP 31 CO -0.04 -0.38 1.12 -1.01 -0.51 0.00 0.00 176.95 176.13 1x68 s HIS 32 N 1.35 2.51 0.15 -1.98 3.76 -1.26 -0.50 115.29 119.33 1x68 s HIS 32 Ca -0.02 1.56 -0.23 0.00 -0.15 0.00 0.00 55.06 56.23 1x68 s HIS 32 Cb -0.14 -3.20 0.04 0.00 1.11 0.00 0.00 32.58 30.39 1x68 s HIS 32 CO -0.04 -1.86 1.62 0.66 -0.85 0.00 0.00 174.74 174.28 1x68 h SER 33 N -0.18 -0.86 0.21 1.40 4.64 -1.92 -1.59 113.55 115.25 1x68 h SER 33 Ca -0.46 0.15 -0.05 0.00 -0.47 0.00 0.00 61.79 60.95 1x68 h SER 33 Cb 1.25 0.40 -0.01 0.00 -0.31 0.00 0.00 62.40 63.74 1x68 h SER 33 CO 0.53 -0.29 -0.24 1.05 -0.87 0.00 0.00 176.83 177.01 1x68 h GLU 34 N -0.25 0.06 -0.01 4.77 9.09 -1.94 -2.52 114.58 123.77 1x68 h GLU 34 Ca 0.15 -0.01 0.00 0.00 0.05 0.00 0.00 59.36 59.54 1x68 h GLU 34 Cb 0.49 -0.01 0.00 0.00 -1.65 0.00 0.00 28.75 27.58 1x68 h GLU 34 CO -0.43 0.29 0.00 0.00 0.05 0.00 0.00 179.01 178.93 1x68 s PHE 36 N -2.00 3.19 0.27 0.00 5.36 -0.79 -4.82 117.98 119.19 1x68 s PHE 36 Ca 0.43 -1.18 -0.17 0.00 -0.96 0.00 0.00 56.93 55.05 1x68 s PHE 36 Cb 0.21 -3.79 0.01 0.00 -0.34 0.00 0.00 43.02 39.11 1x68 s PHE 36 CO 0.35 -1.06 0.60 0.54 -1.46 0.00 0.00 175.22 174.19 1x68 s ASN 37 N 3.51 -0.16 -0.11 6.13 2.20 -1.26 -1.64 114.94 123.62 1x68 s ASN 37 Ca 0.05 -0.79 -0.29 0.00 -0.94 0.00 0.00 52.86 50.89 1x68 s ASN 37 Cb -0.28 0.66 -0.06 0.00 -2.00 0.00 0.00 41.25 39.57 1x68 s ASN 37 CO 0.04 -1.25 1.99 0.00 -2.94 0.00 0.00 177.10 174.94 1x68 h GLY 39 N 12.47 0.00 2.00 0.00 0.00 -1.61 0.47 103.07 116.40 1x68 h GLY 39 Ca -0.43 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 46.86 1x68 h GLY 39 CO 0.96 0.00 -0.19 0.50 0.00 0.00 0.00 176.54 177.81 1x68 h LYS 40 N 0.00 0.00 0.00 4.80 1.57 -1.89 -3.40 116.57 117.65 1x68 h LYS 40 Ca 0.22 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 1x68 h LYS 40 Cb 0.91 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.22 1x68 h LYS 40 CO -0.00 0.19 0.00 0.00 -0.57 0.00 0.00 179.45 179.07 1x68 n SER 42 N 0.00 -3.05 -4.75 0.00 7.64 0.15 -4.96 113.62 108.66 1x68 n SER 42 Ca 0.00 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.47 1x68 n SER 42 Cb 0.00 -0.55 -0.03 0.00 -1.01 0.00 0.00 64.21 62.62 1x68 n SER 42 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1x68 s VAL 43 N -1.99 3.18 0.34 0.44 0.11 -1.26 -4.61 120.40 116.61 1x68 s VAL 43 Ca 0.00 1.03 -0.29 0.00 -2.93 0.00 0.00 61.98 59.79 1x68 s VAL 43 Cb 0.00 -3.66 -0.12 0.00 -1.53 0.00 0.00 36.38 31.08 1x68 s VAL 43 CO 0.00 0.18 1.47 -0.24 -3.33 0.00 0.00 175.10 173.18 1x68 n SER 44 N 2.12 3.54 -0.55 3.54 2.88 -1.26 -1.09 113.62 122.81 1x68 n SER 44 Ca 0.04 1.20 0.06 0.00 -1.33 0.00 0.00 58.87 58.84 1x68 n SER 44 Cb 0.43 -1.57 0.08 0.00 -0.75 0.00 0.00 64.21 62.39 1x68 n SER 44 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1x68 n LEU 45 N 1.08 2.26 -4.58 2.46 4.77 -0.65 -4.83 117.00 117.50 1x68 n LEU 45 Ca 0.05 -1.20 -0.44 0.00 -0.03 0.00 0.00 56.01 54.38 1x68 n LEU 45 Cb 0.37 -0.05 -0.04 0.00 -2.33 0.00 0.00 43.42 41.37 1x68 n LEU 45 CO 0.63 0.46 1.86 0.52 -1.33 0.00 0.00 177.39 179.53 1x68 n VAL 46 N 0.70 0.30 0.00 4.08 0.31 -1.26 -2.80 118.33 119.66 1x68 n VAL 46 Ca 0.09 -0.46 0.00 0.00 -0.01 0.00 0.00 64.34 63.96 1x68 n VAL 46 Cb 0.34 -2.47 0.00 0.00 -0.91 0.00 0.00 33.84 30.81 1x68 n VAL 46 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1x68 n GLY 47 N 5.89 2.14 3.70 2.92 0.00 -1.26 -5.03 105.19 113.55 1x68 n GLY 47 Ca 0.32 -0.42 -0.31 0.00 0.00 0.00 0.00 46.02 45.61 1x68 n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x68 s LYS 48 N 0.00 1.39 -0.01 1.61 -2.85 -1.12 -4.93 119.74 113.84 1x68 s LYS 48 Ca 0.00 1.31 -0.30 0.00 -1.00 0.00 0.00 55.97 55.98 1x68 s LYS 48 Cb 0.00 -1.79 -0.06 0.00 -2.06 0.00 0.00 37.83 33.92 1x68 s LYS 48 CO 0.00 -2.29 1.52 0.20 0.10 0.00 0.00 175.35 174.88 1x68 s GLY 49 N -3.00 1.69 0.35 0.59 0.00 -1.26 -4.96 107.32 100.74 1x68 s GLY 49 Ca 0.64 0.95 0.08 0.00 0.00 0.00 0.00 44.72 46.39 1x68 s GLY 49 CO 0.58 2.73 0.20 -0.11 0.00 0.00 0.00 173.10 176.50 1x68 s PHE 50 N 2.93 2.74 0.08 1.90 -0.12 -1.26 -4.36 117.98 119.89 1x68 s PHE 50 Ca 0.68 -0.40 0.08 0.00 -0.05 0.00 0.00 56.93 57.25 1x68 s PHE 50 Cb -0.33 -1.76 -0.03 0.00 -0.63 0.00 0.00 43.02 40.26 1x68 s PHE 50 CO 0.28 0.24 -0.22 -0.51 -0.05 0.00 0.00 175.22 174.96 1x68 s LEU 51 N -3.91 2.25 -0.28 -1.99 1.02 -0.34 -4.98 118.68 110.46 1x68 s LEU 51 Ca 0.40 -0.64 -0.01 0.00 0.02 0.00 0.00 54.13 53.91 1x68 s LEU 51 Cb -0.03 -0.99 0.08 0.00 0.02 0.00 0.00 46.19 45.28 1x68 s LEU 51 CO 0.24 0.12 0.05 0.28 0.02 0.00 0.00 176.35 177.07 1x68 s THR 52 N -1.01 1.03 0.05 5.49 -1.32 -1.26 -0.94 115.64 117.68 1x68 s THR 52 Ca 0.08 -1.27 -0.04 0.00 -1.21 0.00 0.00 61.69 59.25 1x68 s THR 52 Cb -0.10 -1.64 -0.02 0.00 -1.51 0.00 0.00 72.50 69.24 1x68 s THR 52 CO 0.04 -0.47 0.06 -1.58 -2.21 0.00 0.00 174.62 170.45 1x68 s GLN 53 N 1.57 0.60 -1.93 7.08 0.74 -1.17 -4.90 119.66 121.65 1x68 s GLN 53 Ca 0.05 -0.89 0.00 0.00 0.05 0.00 0.00 55.36 54.57 1x68 s GLN 53 Cb -0.18 0.23 0.00 0.00 1.10 0.00 0.00 33.01 34.16 1x68 s GLN 53 CO -0.17 -0.14 0.00 0.09 -0.55 0.00 0.00 175.29 174.52 1x68 n ASN 54 N 0.57 -5.02 -1.59 6.67 4.13 -1.26 -1.28 115.26 117.47 1x68 n ASN 54 Ca -0.18 0.39 -0.18 0.00 1.68 0.00 0.00 54.58 56.30 1x68 n ASN 54 Cb 0.59 -4.43 -0.06 0.00 -1.54 0.00 0.00 39.78 34.34 1x68 n ASN 54 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1x68 n LYS 55 N -2.36 -1.31 -4.32 3.52 4.76 -1.26 -4.99 118.16 112.20 1x68 n LYS 55 Ca -0.19 1.06 -0.26 0.00 -2.87 0.00 0.00 58.31 56.04 1x68 n LYS 55 Cb 0.63 -5.39 -0.06 0.00 -1.84 0.00 0.00 35.03 28.36 1x68 n LYS 55 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1x68 n GLU 56 N -2.56 0.70 -4.50 1.97 -0.58 -0.41 -5.17 120.64 110.10 1x68 n GLU 56 Ca -0.19 -3.28 -0.22 0.00 -0.42 0.00 0.00 57.16 53.05 1x68 n GLU 56 Cb 0.61 1.44 -0.16 0.00 -0.57 0.00 0.00 31.44 32.77 1x68 n GLU 56 CO 0.00 0.00 0.00 0.96 -0.48 0.00 0.00 177.13 177.61 1x68 s ILE 57 N -2.87 0.95 0.15 -3.67 -4.36 -1.26 -3.06 121.20 107.08 1x68 s ILE 57 Ca 0.12 -0.44 0.02 0.00 -0.26 0.00 0.00 60.65 60.10 1x68 s ILE 57 Cb 0.01 -0.85 -0.04 0.00 1.25 0.00 0.00 42.46 42.82 1x68 s ILE 57 CO 0.09 0.29 -0.04 -0.36 0.24 0.00 0.00 174.94 175.16 1x68 s PHE 58 N 0.27 1.16 0.63 1.37 0.08 -0.11 -1.44 117.98 119.93 1x68 s PHE 58 Ca -0.05 -0.93 -0.10 0.00 0.12 0.00 0.00 56.93 55.96 1x68 s PHE 58 Cb -0.11 -0.65 -0.02 0.00 -0.57 0.00 0.00 43.02 41.67 1x68 s PHE 58 CO 0.01 -0.13 1.01 0.00 -0.10 0.00 0.00 175.22 176.02 1x68 h GLN 60 N -0.34 -0.46 -0.28 0.00 4.20 -1.94 0.20 115.11 116.50 1x68 h GLN 60 Ca -0.45 0.03 0.08 0.00 0.06 0.00 0.00 58.65 58.37 1x68 h GLN 60 Cb 1.21 0.10 -0.01 0.00 0.30 0.00 0.00 27.48 29.09 1x68 h GLN 60 CO 0.62 -0.30 0.24 0.87 -0.67 0.00 0.00 178.83 179.59 1x68 h LYS 61 N -0.47 0.00 0.00 1.46 1.79 -1.94 0.17 116.57 117.57 1x68 h LYS 61 Ca 0.05 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.52 1x68 h LYS 61 Cb 0.53 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.18 1x68 h LYS 61 CO -0.21 0.00 -1.62 0.00 -1.08 0.00 0.00 179.45 176.54 1x68 n GLY 63 N 1.28 -0.98 3.64 0.00 0.00 0.62 -4.87 105.19 104.88 1x68 n GLY 63 Ca -0.02 -0.44 -0.45 0.00 0.00 0.00 0.00 46.02 45.11 1x68 n GLY 63 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x68 n SER 64 N -2.44 3.66 -4.06 1.61 2.88 0.48 -4.97 113.62 110.79 1x68 n SER 64 Ca -0.15 0.77 -0.17 0.00 -1.33 0.00 0.00 58.87 57.99 1x68 n SER 64 Cb 0.79 -1.47 -0.13 0.00 -0.75 0.00 0.00 64.21 62.65 1x68 n SER 64 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x68 s GLY 65 N 5.22 0.53 -0.03 0.46 0.00 -1.26 -5.01 107.32 107.23 1x68 s GLY 65 Ca 0.94 -0.60 -0.11 0.00 0.00 0.00 0.00 44.72 44.96 1x68 s GLY 65 CO 0.44 -0.58 0.23 1.06 0.00 0.00 0.00 173.10 174.25 1x68 s MET 66 N -0.88 0.51 -0.80 2.90 -1.94 -1.26 -5.09 119.30 112.75 1x68 s MET 66 Ca -0.01 -0.14 -0.26 0.00 -1.71 0.00 0.00 55.69 53.57 1x68 s MET 66 Cb -0.06 0.22 -0.14 0.00 2.01 0.00 0.00 34.83 36.86 1x68 s MET 66 CO 0.00 -0.12 2.41 -0.40 -0.01 0.00 0.00 175.02 176.90 1x68 n ASP 67 N 1.74 1.79 -4.88 3.03 5.75 -1.26 -4.93 116.55 117.79 1x68 n ASP 67 Ca -0.20 -1.52 -0.30 0.00 -0.01 0.00 0.00 54.79 52.76 1x68 n ASP 67 Cb 0.56 -1.67 0.01 0.00 -1.03 0.00 0.00 41.12 38.99 1x68 n ASP 67 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1x68 s THR 68 N 14.95 4.79 0.74 2.12 -4.23 -1.26 -5.06 115.64 127.68 1x68 s THR 68 Ca 0.93 0.61 -0.11 0.00 -1.18 0.00 0.00 61.69 61.93 1x68 s THR 68 Cb -0.13 -3.87 0.04 0.00 1.34 0.00 0.00 72.50 69.88 1x68 s THR 68 CO 0.08 -1.03 1.09 -0.62 -0.54 0.00 0.00 174.62 173.60 1x68 s ASP 69 N -4.15 4.76 0.96 3.99 2.15 -1.26 -5.05 116.67 118.07 1x68 s ASP 69 Ca 0.52 1.82 -0.14 0.00 0.43 0.00 0.00 52.55 55.18 1x68 s ASP 69 Cb -0.11 -2.52 0.17 0.00 -0.30 0.00 0.00 42.92 40.16 1x68 s ASP 69 CO 0.50 -1.86 1.18 0.27 -0.17 0.00 0.00 175.17 175.09 1x68 s ILE 70 N -2.83 1.93 -2.00 4.11 -0.00 -1.26 -4.95 121.20 116.20 1x68 s ILE 70 Ca 0.62 0.00 0.20 0.00 -0.00 0.00 0.00 60.65 61.47 1x68 s ILE 70 Cb -0.17 -2.78 0.57 0.00 -0.00 0.00 0.00 42.46 40.08 1x68 s ILE 70 CO 0.53 0.00 1.61 -0.24 -0.00 0.00 0.00 174.94 176.84 1x68 n SER 71 N -3.90 0.00 -3.63 4.36 2.88 -1.26 -4.41 113.62 107.65 1x68 n SER 71 Ca 0.10 -0.76 -0.29 0.00 -1.33 0.00 0.00 58.87 56.59 1x68 n SER 71 Cb 0.59 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.90 1x68 n SER 71 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x68 s GLY 72 N -1.94 0.76 0.00 0.46 0.00 -1.26 -5.03 107.32 100.31 1x68 s GLY 72 Ca 0.30 -1.33 0.00 0.00 0.00 0.00 0.00 44.72 43.70 1x68 s GLY 72 CO 0.23 1.84 0.17 -1.55 0.00 0.00 0.00 173.10 173.79 1x68 n PRO 73 N 5.06 0.32 -1.64 2.90 -0.04 -1.26 -4.51 135.00 135.83 1x68 n PRO 73 Ca -0.04 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.00 1x68 n PRO 73 Cb 0.42 -1.17 -0.01 0.00 -0.04 0.00 0.00 33.50 32.71 1x68 n PRO 73 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x68 n SER 74 N 0.37 5.21 -3.89 3.54 2.88 -1.26 -4.77 113.62 115.69 1x68 n SER 74 Ca 0.00 -2.78 -0.30 0.00 -1.33 0.00 0.00 58.87 54.46 1x68 n SER 74 Cb 0.08 -1.63 -0.10 0.00 -0.75 0.00 0.00 64.21 61.82 1x68 n SER 74 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1x68 n SER 75 N 5.36 3.55 0.00 -3.46 2.88 -1.26 -5.21 113.62 115.49 1x68 n SER 75 Ca 0.59 -3.23 0.00 0.00 -1.33 0.00 0.00 58.87 54.90 1x68 n SER 75 Cb 0.35 -0.84 0.00 0.00 -0.75 0.00 0.00 64.21 62.97 1x68 n SER 75 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42