#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 1.65 -0.89 1.61 0.15 -1.26 -5.07 113.70 109.88 1x68 s SER 2 Ca 0.00 -1.65 -0.24 0.00 0.70 0.00 0.00 55.95 54.76 1x68 s SER 2 Cb 0.00 0.33 -0.00 0.00 -1.71 0.00 0.00 66.02 64.63 1x68 s SER 2 CO 0.00 -0.28 1.71 -0.44 1.20 0.00 0.00 173.24 175.42 1x68 s SER 3 N 1.43 5.71 0.00 5.45 0.01 -1.26 -4.60 113.70 120.45 1x68 s SER 3 Ca 0.16 -0.80 0.00 0.00 1.31 0.00 0.00 55.95 56.62 1x68 s SER 3 Cb -0.17 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.50 1x68 s SER 3 CO -0.05 -2.20 0.00 0.61 0.41 0.00 0.00 173.24 172.01 1x68 n GLY 4 N 6.60 -1.33 0.18 3.44 0.00 -1.26 -4.95 105.19 107.86 1x68 n GLY 4 Ca 0.32 0.86 0.13 0.00 0.00 0.00 0.00 46.02 47.33 1x68 n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1x68 h SER 5 N 0.00 0.00 -3.12 1.61 0.02 -1.97 -3.45 113.55 106.64 1x68 h SER 5 Ca 0.00 0.00 -0.49 0.00 -0.84 0.00 0.00 61.79 60.46 1x68 h SER 5 Cb 0.00 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 62.40 1x68 h SER 5 CO 0.00 0.00 -0.61 -0.44 -1.14 0.00 0.00 176.83 174.64 1x68 s SER 6 N -4.57 2.49 0.03 3.07 0.01 -1.26 -5.06 113.70 108.41 1x68 s SER 6 Ca 0.02 -1.38 0.00 0.00 1.31 0.00 0.00 55.95 55.90 1x68 s SER 6 Cb 0.09 -0.11 0.00 0.00 0.21 0.00 0.00 66.02 66.21 1x68 s SER 6 CO 0.40 -0.59 0.00 0.61 0.41 0.00 0.00 173.24 174.06 1x68 n GLY 7 N -0.71 -2.17 3.66 3.44 0.00 -1.26 -4.71 105.19 103.44 1x68 n GLY 7 Ca -0.02 -1.48 -0.42 0.00 0.00 0.00 0.00 46.02 44.10 1x68 n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x68 h VAL 9 N 5.68 0.42 -0.01 0.00 2.07 -1.36 0.55 116.25 123.60 1x68 h VAL 9 Ca -0.46 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.06 1x68 h VAL 9 Cb 1.22 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 31.71 1x68 h VAL 9 CO 0.95 0.00 -0.08 0.00 0.02 0.00 0.00 177.57 178.46 1x68 n ALA 10 N -2.34 2.73 -1.69 1.67 0.00 -1.26 -4.53 120.51 115.09 1x68 n ALA 10 Ca 0.05 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.09 1x68 n ALA 10 Cb 0.50 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.74 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 -4.00 -4.75 0.00 3.41 0.17 -4.90 113.62 103.55 1x68 n SER 12 Ca 0.00 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.20 1x68 n SER 12 Cb 0.19 -2.99 -0.03 0.00 -0.26 0.00 0.00 64.21 61.12 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 -1.58 4.44 0.02 4.33 -0.14 -1.26 -4.54 119.74 121.01 1x68 s LYS 13 Ca 0.00 2.02 -0.30 0.00 -1.36 0.00 0.00 55.97 56.32 1x68 s LYS 13 Cb 0.00 -3.17 -0.07 0.00 -1.68 0.00 0.00 37.83 32.90 1x68 s LYS 13 CO 0.00 -0.13 1.69 -1.25 -0.76 0.00 0.00 175.35 174.90 1x68 s PRO 14 N -0.73 4.19 0.66 -1.68 0.04 -1.26 -0.63 135.00 135.59 1x68 s PRO 14 Ca 0.52 2.31 -0.17 0.00 0.04 0.00 0.00 61.00 63.70 1x68 s PRO 14 Cb -0.36 -3.80 0.00 0.00 0.04 0.00 0.00 34.50 30.38 1x68 s PRO 14 CO 0.42 -0.80 1.22 0.42 0.04 0.00 0.00 177.00 178.30 1x68 s ILE 15 N 3.35 2.43 0.90 0.56 -1.09 -1.26 -4.89 121.20 121.19 1x68 s ILE 15 Ca 0.75 0.24 -0.12 0.00 -2.23 0.00 0.00 60.65 59.30 1x68 s ILE 15 Cb -0.38 -2.95 0.13 0.00 -1.58 0.00 0.00 42.46 37.68 1x68 s ILE 15 CO 0.32 -0.08 1.09 -0.55 -1.23 0.00 0.00 174.94 174.49 1x68 s SER 16 N -1.79 3.43 0.00 3.58 0.15 -1.26 -4.98 113.70 112.82 1x68 s SER 16 Ca 0.76 1.42 0.00 0.00 0.70 0.00 0.00 55.95 58.83 1x68 s SER 16 Cb -0.31 -2.10 0.00 0.00 -1.71 0.00 0.00 66.02 61.91 1x68 s SER 16 CO 0.40 -2.65 0.00 0.61 1.20 0.00 0.00 173.24 172.79 1x68 n GLY 17 N -1.23 1.25 2.99 9.45 0.00 -1.26 -4.84 105.19 111.55 1x68 n GLY 17 Ca 0.07 -1.49 -0.42 0.00 0.00 0.00 0.00 46.02 44.18 1x68 n GLY 17 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1x68 n LEU 18 N 0.00 5.37 0.00 0.99 0.00 -1.26 -4.04 117.00 118.06 1x68 n LEU 18 Ca 0.00 -3.56 0.00 0.00 0.00 0.00 0.00 56.01 52.45 1x68 n LEU 18 Cb 0.00 -1.45 0.00 0.00 0.00 0.00 0.00 43.42 41.97 1x68 n LEU 18 CO 0.00 0.26 0.07 0.41 0.00 0.00 0.00 177.39 178.14 1x68 n THR 19 N 5.72 0.00 -2.14 1.96 -1.04 -1.26 -5.00 114.28 112.52 1x68 n THR 19 Ca 0.50 -0.30 0.00 0.00 -2.04 0.00 0.00 64.05 62.21 1x68 n THR 19 Cb 0.41 1.19 0.00 0.00 -1.82 0.00 0.00 70.33 70.11 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 0.31 0.94 3.61 3.41 0.00 -1.26 -4.98 105.19 107.22 1x68 n GLY 20 Ca 0.00 -0.61 -0.43 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.80 2.90 -0.51 4.61 0.00 -1.26 -4.94 121.76 119.75 1x68 s ALA 21 Ca 0.00 0.67 -0.29 0.00 0.00 0.00 0.00 51.96 52.34 1x68 s ALA 21 Cb 0.00 -4.02 0.03 0.00 0.00 0.00 0.00 23.12 19.13 1x68 s ALA 21 CO 0.00 -2.56 1.21 -1.59 0.00 0.00 0.00 175.76 172.83 1x68 s LYS 22 N 5.83 3.60 0.15 0.00 0.00 -1.26 -4.95 119.74 123.11 1x68 s LYS 22 Ca 0.91 0.49 -0.07 0.00 0.00 0.00 0.00 55.97 57.30 1x68 s LYS 22 Cb -0.30 -3.98 -0.02 0.00 0.00 0.00 0.00 37.83 33.53 1x68 s LYS 22 CO 0.35 -1.56 0.23 -0.59 0.00 0.00 0.00 175.35 173.77 1x68 s PHE 23 N 4.89 0.51 -0.23 1.78 -0.71 -1.26 -4.09 117.98 118.87 1x68 s PHE 23 Ca 0.48 -0.88 -0.06 0.00 -1.04 0.00 0.00 56.93 55.43 1x68 s PHE 23 Cb -0.08 -0.16 -0.03 0.00 -1.21 0.00 0.00 43.02 41.54 1x68 s PHE 23 CO 0.29 -0.67 0.04 0.42 -1.34 0.00 0.00 175.22 173.97 1x68 s ILE 24 N -3.99 4.21 -0.40 -4.49 1.01 0.80 -4.87 121.20 113.47 1x68 s ILE 24 Ca 0.19 -0.22 -0.10 0.00 0.00 0.00 0.00 60.65 60.52 1x68 s ILE 24 Cb 0.04 -2.94 0.06 0.00 0.01 0.00 0.00 42.46 39.63 1x68 s ILE 24 CO 0.00 0.38 0.24 0.00 0.00 0.00 0.00 174.94 175.56 1x68 s PHE 26 N 1.47 0.12 -1.55 0.00 5.36 -0.92 -4.84 117.98 117.61 1x68 s PHE 26 Ca 0.02 -0.02 -0.11 0.00 -0.96 0.00 0.00 56.93 55.87 1x68 s PHE 26 Cb -0.22 -0.08 0.08 0.00 -0.34 0.00 0.00 43.02 42.47 1x68 s PHE 26 CO 0.04 -0.00 0.70 1.04 -1.46 0.00 0.00 175.22 175.53 1x68 n GLN 27 N 3.06 -3.76 -4.34 10.12 1.13 -1.26 -1.28 117.38 121.06 1x68 n GLN 27 Ca -0.12 0.44 -0.37 0.00 -1.94 0.00 0.00 57.00 55.01 1x68 n GLN 27 Cb 0.59 -4.99 -0.06 0.00 0.11 0.00 0.00 30.24 25.90 1x68 n GLN 27 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1x68 n ASP 28 N -2.82 -1.49 -4.10 1.08 9.92 -1.26 -4.94 116.55 112.95 1x68 n ASP 28 Ca -0.08 -1.16 -0.15 0.00 -0.53 0.00 0.00 54.79 52.87 1x68 n ASP 28 Cb 0.57 -2.10 -0.12 0.00 -0.64 0.00 0.00 41.12 38.84 1x68 n ASP 28 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 1x68 s SER 29 N -3.63 1.13 -0.29 -2.24 0.01 -0.40 -5.14 113.70 103.13 1x68 s SER 29 Ca 0.54 -0.56 -0.16 0.00 1.31 0.00 0.00 55.95 57.08 1x68 s SER 29 Cb -0.31 0.00 -0.03 0.00 0.21 0.00 0.00 66.02 65.90 1x68 s SER 29 CO 0.98 -0.15 0.41 -1.10 0.41 0.00 0.00 173.24 173.79 1x68 s GLN 30 N -1.60 3.92 -0.09 12.44 1.11 -1.26 -2.17 119.66 132.01 1x68 s GLN 30 Ca -0.07 0.01 0.00 0.00 0.01 0.00 0.00 55.36 55.31 1x68 s GLN 30 Cb -0.10 -3.69 0.02 0.00 -1.01 0.00 0.00 33.01 28.23 1x68 s GLN 30 CO 0.01 -0.36 -0.06 -1.58 0.01 0.00 0.00 175.29 173.30 1x68 s TRP 31 N 2.15 1.20 0.47 0.91 0.51 -0.49 -0.99 118.94 122.69 1x68 s TRP 31 Ca 0.16 -0.51 -0.23 0.00 -2.12 0.00 0.00 56.10 53.40 1x68 s TRP 31 Cb -0.16 -1.03 -0.07 0.00 -0.81 0.00 0.00 33.47 31.40 1x68 s TRP 31 CO 0.10 -0.39 1.25 -1.01 -0.51 0.00 0.00 176.95 176.40 1x68 s HIS 32 N 1.46 2.71 0.19 -1.98 3.76 -1.26 -0.14 115.29 120.02 1x68 s HIS 32 Ca -0.01 1.46 -0.22 0.00 -0.15 0.00 0.00 55.06 56.14 1x68 s HIS 32 Cb -0.13 -3.57 0.11 0.00 1.11 0.00 0.00 32.58 30.10 1x68 s HIS 32 CO -0.04 -2.03 1.58 0.77 -0.85 0.00 0.00 174.74 174.17 1x68 h SER 33 N 2.07 -1.28 0.64 1.40 0.02 -1.90 -0.12 113.55 114.38 1x68 h SER 33 Ca -0.50 0.24 0.00 0.00 -0.84 0.00 0.00 61.79 60.69 1x68 h SER 33 Cb 1.26 0.62 0.00 0.00 0.14 0.00 0.00 62.40 64.42 1x68 h SER 33 CO 0.60 -0.31 0.00 -0.33 -1.14 0.00 0.00 176.83 175.65 1x68 h GLU 34 N -0.16 0.00 -0.31 3.45 5.08 -1.92 -3.10 114.58 117.62 1x68 h GLU 34 Ca 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1x68 h GLU 34 Cb 0.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1x68 h GLU 34 CO -0.71 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 177.30 1x68 s PHE 36 N -2.38 3.19 0.13 0.00 5.36 -1.06 -4.73 117.98 118.49 1x68 s PHE 36 Ca 0.39 -1.11 -0.01 0.00 -0.96 0.00 0.00 56.93 55.24 1x68 s PHE 36 Cb 0.30 -3.69 -0.04 0.00 -0.34 0.00 0.00 43.02 39.24 1x68 s PHE 36 CO 0.11 -1.02 0.05 -0.80 -1.46 0.00 0.00 175.22 172.10 1x68 s ASN 37 N 3.35 0.41 -0.13 6.13 0.01 -1.26 -2.24 114.94 121.21 1x68 s ASN 37 Ca 0.05 -1.20 -0.29 0.00 -0.71 0.00 0.00 52.86 50.72 1x68 s ASN 37 Cb -0.27 0.27 -0.06 0.00 0.41 0.00 0.00 41.25 41.60 1x68 s ASN 37 CO 0.05 -0.71 2.14 0.00 -1.51 0.00 0.00 177.10 177.07 1x68 h GLY 39 N 13.53 0.00 1.51 0.00 0.00 -1.79 0.21 103.07 116.53 1x68 h GLY 39 Ca -0.44 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.88 1x68 h GLY 39 CO 0.95 0.00 -0.52 0.50 0.00 0.00 0.00 176.54 177.47 1x68 h LYS 40 N 0.00 0.00 0.00 4.80 1.57 -1.89 -3.43 116.57 117.62 1x68 h LYS 40 Ca 0.17 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 1x68 h LYS 40 Cb 1.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.35 1x68 h LYS 40 CO -0.00 0.02 0.00 0.00 -0.57 0.00 0.00 179.45 178.90 1x68 n SER 42 N -0.29 -1.26 -4.78 0.00 3.41 0.59 -4.99 113.62 106.29 1x68 n SER 42 Ca 0.00 0.00 -0.37 0.00 -0.26 0.00 0.00 58.87 58.24 1x68 n SER 42 Cb 0.00 -0.21 -0.06 0.00 -0.26 0.00 0.00 64.21 63.68 1x68 n SER 42 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1x68 s VAL 43 N -2.00 4.28 0.39 -3.33 0.11 -1.26 -4.65 120.40 113.94 1x68 s VAL 43 Ca 0.00 1.73 -0.27 0.00 -2.93 0.00 0.00 61.98 60.51 1x68 s VAL 43 Cb 0.00 -4.02 -0.11 0.00 -1.53 0.00 0.00 36.38 30.73 1x68 s VAL 43 CO 0.00 0.21 1.45 -0.24 -3.33 0.00 0.00 175.10 173.20 1x68 n SER 44 N 0.74 3.58 0.00 3.54 2.88 -1.26 -0.63 113.62 122.47 1x68 n SER 44 Ca 0.00 1.20 0.00 0.00 -1.33 0.00 0.00 58.87 58.74 1x68 n SER 44 Cb 0.50 -1.60 0.00 0.00 -0.75 0.00 0.00 64.21 62.36 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 0.34 0.89 -4.59 2.46 4.77 -0.95 -4.81 117.00 115.10 1x68 n LEU 45 Ca 0.02 -0.94 -0.54 0.00 -0.03 0.00 0.00 56.01 54.53 1x68 n LEU 45 Cb 0.39 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.41 1x68 n LEU 45 CO 0.63 0.22 1.54 0.52 -1.33 0.00 0.00 177.39 178.97 1x68 n VAL 46 N -0.10 0.29 -0.52 4.08 0.31 -1.26 -1.01 118.33 120.12 1x68 n VAL 46 Ca 0.00 -0.13 0.00 0.00 -0.01 0.00 0.00 64.34 64.20 1x68 n VAL 46 Cb 0.00 -1.44 0.00 0.00 -0.91 0.00 0.00 33.84 31.50 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 5.25 1.13 3.92 2.92 0.00 -1.26 -5.01 105.19 112.14 1x68 n GLY 47 Ca 0.33 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.09 1x68 n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x68 s LYS 48 N -0.22 3.28 -1.10 1.61 1.02 -0.18 -5.00 119.74 119.15 1x68 s LYS 48 Ca 0.00 -0.07 -0.19 0.00 0.02 0.00 0.00 55.97 55.73 1x68 s LYS 48 Cb 0.00 -2.43 0.10 0.00 -0.52 0.00 0.00 37.83 34.98 1x68 s LYS 48 CO 0.00 -0.29 1.43 0.20 -0.92 0.00 0.00 175.35 175.78 1x68 s GLY 49 N -4.17 1.73 0.74 -3.33 0.00 -1.26 -5.00 107.32 96.04 1x68 s GLY 49 Ca 0.48 -2.75 -0.07 0.00 0.00 0.00 0.00 44.72 42.38 1x68 s GLY 49 CO 0.42 2.41 1.05 -0.11 0.00 0.00 0.00 173.10 176.87 1x68 s PHE 50 N 3.59 2.60 -0.13 1.90 -0.12 -1.26 -4.56 117.98 120.00 1x68 s PHE 50 Ca 0.44 0.35 0.02 0.00 -0.05 0.00 0.00 56.93 57.69 1x68 s PHE 50 Cb -0.01 -3.30 0.00 0.00 -0.63 0.00 0.00 43.02 39.09 1x68 s PHE 50 CO -0.04 -1.61 -0.20 -0.51 -0.05 0.00 0.00 175.22 172.82 1x68 s LEU 51 N -5.32 2.25 -0.47 -1.99 1.02 -0.03 -4.96 118.68 109.19 1x68 s LEU 51 Ca 0.63 -0.54 -0.18 0.00 0.02 0.00 0.00 54.13 54.06 1x68 s LEU 51 Cb -0.09 -1.48 0.04 0.00 0.02 0.00 0.00 46.19 44.68 1x68 s LEU 51 CO 0.46 0.11 0.54 0.42 0.02 0.00 0.00 176.35 177.89 1x68 s THR 52 N 0.67 4.99 0.04 5.49 -4.23 -1.26 -1.69 115.64 119.64 1x68 s THR 52 Ca -0.10 -0.46 -0.06 0.00 -1.18 0.00 0.00 61.69 59.89 1x68 s THR 52 Cb -0.16 -4.18 -0.01 0.00 1.34 0.00 0.00 72.50 69.49 1x68 s THR 52 CO 0.02 -0.63 0.11 -1.58 -0.54 0.00 0.00 174.62 171.99 1x68 s GLN 53 N 2.36 0.61 -1.58 3.99 0.74 -1.08 -4.93 119.66 119.77 1x68 s GLN 53 Ca 0.13 -0.75 -0.08 0.00 0.05 0.00 0.00 55.36 54.72 1x68 s GLN 53 Cb -0.19 0.24 0.07 0.00 1.10 0.00 0.00 33.01 34.23 1x68 s GLN 53 CO 0.12 -0.16 0.44 0.09 -0.55 0.00 0.00 175.29 175.24 1x68 n ASN 54 N 0.73 -1.00 -1.86 6.67 3.02 -1.26 -1.58 115.26 119.97 1x68 n ASN 54 Ca -0.19 -1.10 -0.09 0.00 -0.03 0.00 0.00 54.58 53.17 1x68 n ASN 54 Cb 0.59 -2.47 -0.02 0.00 -0.61 0.00 0.00 39.78 37.27 1x68 n ASN 54 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 1x68 n LYS 55 N -4.41 -1.81 -4.58 3.52 2.85 -1.26 -4.93 118.16 107.55 1x68 n LYS 55 Ca -0.16 0.51 -0.28 0.00 -1.05 0.00 0.00 58.31 57.33 1x68 n LYS 55 Cb 0.61 -4.88 -0.08 0.00 -0.65 0.00 0.00 35.03 30.03 1x68 n LYS 55 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 1x68 s GLU 56 N -3.91 2.00 -0.12 -1.58 2.02 -0.61 -5.16 118.70 111.33 1x68 s GLU 56 Ca 0.00 -2.23 0.01 0.00 0.02 0.00 0.00 54.97 52.77 1x68 s GLU 56 Cb 0.00 -0.87 0.02 0.00 0.10 0.00 0.00 34.13 33.38 1x68 s GLU 56 CO 0.00 -0.44 -0.15 0.96 0.02 0.00 0.00 175.26 175.65 1x68 s ILE 57 N -3.11 1.52 0.08 -1.63 -4.36 -1.26 -2.63 121.20 109.80 1x68 s ILE 57 Ca 0.19 -0.64 0.05 0.00 -0.26 0.00 0.00 60.65 59.99 1x68 s ILE 57 Cb 0.02 -1.40 -0.03 0.00 1.25 0.00 0.00 42.46 42.30 1x68 s ILE 57 CO 0.12 0.45 -0.13 -0.36 0.24 0.00 0.00 174.94 175.26 1x68 s PHE 58 N 1.15 1.17 0.82 1.37 0.08 -0.68 -2.14 117.98 119.75 1x68 s PHE 58 Ca -0.03 -0.52 -0.11 0.00 0.12 0.00 0.00 56.93 56.39 1x68 s PHE 58 Cb -0.14 -0.65 0.08 0.00 -0.57 0.00 0.00 43.02 41.75 1x68 s PHE 58 CO -0.05 0.05 1.09 0.00 -0.10 0.00 0.00 175.22 176.21 1x68 h GLN 60 N -1.23 -0.54 -0.33 0.00 4.20 -1.93 0.23 115.11 115.50 1x68 h GLN 60 Ca -0.47 0.04 0.10 0.00 0.06 0.00 0.00 58.65 58.38 1x68 h GLN 60 Cb 1.26 0.12 -0.01 0.00 0.30 0.00 0.00 27.48 29.15 1x68 h GLN 60 CO 0.56 -0.36 0.31 -0.22 -0.67 0.00 0.00 178.83 178.45 1x68 h LYS 61 N -0.56 0.00 0.00 1.46 3.64 -1.98 -0.40 116.57 118.73 1x68 h LYS 61 Ca 0.03 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1x68 h LYS 61 Cb 0.59 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 1x68 h LYS 61 CO -0.20 0.00 -1.63 0.00 -2.27 0.00 0.00 179.45 175.35 1x68 n GLY 63 N 1.25 0.24 3.56 0.00 0.00 0.70 -4.87 105.19 106.08 1x68 n GLY 63 Ca -0.02 -0.64 -0.30 0.00 0.00 0.00 0.00 46.02 45.05 1x68 n GLY 63 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x68 s SER 64 N -2.36 0.77 0.09 1.61 0.15 -0.31 -5.03 113.70 108.63 1x68 s SER 64 Ca 0.21 0.69 0.00 0.00 0.70 0.00 0.00 55.95 57.56 1x68 s SER 64 Cb 0.19 -0.98 0.00 0.00 -1.71 0.00 0.00 66.02 63.52 1x68 s SER 64 CO 0.50 -4.22 0.00 0.61 1.20 0.00 0.00 173.24 171.33 1x68 n GLY 65 N -0.68 -0.14 3.24 9.45 0.00 -1.26 -5.00 105.19 110.80 1x68 n GLY 65 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 1x68 n GLY 65 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1x68 s MET 66 N -1.43 3.30 -0.93 1.61 -1.94 -1.26 -5.00 119.30 113.65 1x68 s MET 66 Ca 0.00 -2.61 -0.24 0.00 -1.71 0.00 0.00 55.69 51.13 1x68 s MET 66 Cb 0.00 -4.18 0.01 0.00 2.01 0.00 0.00 34.83 32.67 1x68 s MET 66 CO 0.00 -1.25 1.61 0.16 -0.01 0.00 0.00 175.02 175.53 1x68 s ASP 67 N 1.44 5.97 0.30 3.03 -4.77 -1.26 -4.86 116.67 116.53 1x68 s ASP 67 Ca 0.19 -1.00 -0.18 0.00 -3.30 0.00 0.00 52.55 48.27 1x68 s ASP 67 Cb -0.13 -2.56 0.03 0.00 -1.09 0.00 0.00 42.92 39.16 1x68 s ASP 67 CO -0.07 -1.98 0.70 0.28 0.70 0.00 0.00 175.17 174.80 1x68 s THR 68 N 6.89 0.00 0.76 2.11 -1.32 -1.26 -5.19 115.64 117.63 1x68 s THR 68 Ca 0.54 -1.07 -0.11 0.00 -1.21 0.00 0.00 61.69 59.83 1x68 s THR 68 Cb -0.04 -2.27 0.17 0.00 -1.51 0.00 0.00 72.50 68.86 1x68 s THR 68 CO -0.03 0.00 1.03 0.47 -2.21 0.00 0.00 174.62 173.89 1x68 n ASP 69 N -0.72 0.25 -4.92 8.08 8.00 -1.26 -5.10 116.55 120.88 1x68 n ASP 69 Ca -0.05 -1.48 -0.26 0.00 0.71 0.00 0.00 54.79 53.71 1x68 n ASP 69 Cb 0.60 -0.77 0.05 0.00 -0.02 0.00 0.00 41.12 40.98 1x68 n ASP 69 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 1x68 s ILE 70 N -3.20 2.85 -0.31 0.53 -0.00 -1.26 -5.03 121.20 114.77 1x68 s ILE 70 Ca 0.60 -0.11 0.03 0.00 -0.00 0.00 0.00 60.65 61.17 1x68 s ILE 70 Cb -0.02 -3.20 0.08 0.00 -0.00 0.00 0.00 42.46 39.32 1x68 s ILE 70 CO 0.42 -0.21 0.97 -0.24 -0.00 0.00 0.00 174.94 175.87 1x68 n SER 71 N -2.82 2.05 -4.12 4.36 2.88 -1.26 -5.01 113.62 109.70 1x68 n SER 71 Ca 0.07 -1.80 -0.20 0.00 -1.33 0.00 0.00 58.87 55.60 1x68 n SER 71 Cb 0.59 -0.05 -0.14 0.00 -0.75 0.00 0.00 64.21 63.86 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 -0.83 0.73 0.31 0.46 0.00 -1.26 -5.12 107.32 101.61 1x68 s GLY 72 Ca 0.06 -0.75 -0.29 0.00 0.00 0.00 0.00 44.72 43.74 1x68 s GLY 72 CO 0.05 -0.71 1.48 2.56 0.00 0.00 0.00 173.10 176.48 1x68 s PRO 73 N -0.94 4.19 0.28 2.90 0.04 -1.26 -4.98 135.00 135.23 1x68 s PRO 73 Ca 0.02 2.46 -0.19 0.00 0.04 0.00 0.00 61.00 63.33 1x68 s PRO 73 Cb -0.07 -3.03 0.07 0.00 0.04 0.00 0.00 34.50 31.50 1x68 s PRO 73 CO 0.01 -0.49 0.93 0.45 0.04 0.00 0.00 177.00 177.94 1x68 s SER 74 N 0.13 0.02 -1.26 6.66 0.15 -1.26 -5.06 113.70 113.07 1x68 s SER 74 Ca 0.57 -0.92 -0.19 0.00 0.70 0.00 0.00 55.95 56.11 1x68 s SER 74 Cb -0.45 0.67 0.06 0.00 -1.71 0.00 0.00 66.02 64.60 1x68 s SER 74 CO 0.52 -1.34 1.71 -0.44 1.20 0.00 0.00 173.24 174.89 1x68 s SER 75 N -3.27 6.77 0.00 5.45 0.01 -1.26 -5.22 113.70 116.18 1x68 s SER 75 Ca 0.19 -2.31 0.05 0.00 1.31 0.00 0.00 55.95 55.20 1x68 s SER 75 Cb -0.04 -2.58 0.31 0.00 0.21 0.00 0.00 66.02 63.93 1x68 s SER 75 CO 0.08 -1.25 0.78 0.61 0.41 0.00 0.00 173.24 173.88