#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 -0.20 0.33 1.61 0.15 -1.26 -5.19 113.70 109.14 1x68 s SER 2 Ca 0.00 -0.73 -0.17 0.00 0.70 0.00 0.00 55.95 55.75 1x68 s SER 2 Cb 0.00 0.75 0.03 0.00 -1.71 0.00 0.00 66.02 65.09 1x68 s SER 2 CO 0.00 -1.41 0.71 -0.44 1.20 0.00 0.00 173.24 173.31 1x68 s SER 3 N -2.95 -0.05 0.00 5.45 0.01 -1.26 -5.20 113.70 109.70 1x68 s SER 3 Ca 0.12 -0.93 0.00 0.00 1.31 0.00 0.00 55.95 56.45 1x68 s SER 3 Cb -0.06 0.77 0.00 0.00 0.21 0.00 0.00 66.02 66.94 1x68 s SER 3 CO 0.08 -1.48 0.00 0.61 0.41 0.00 0.00 173.24 172.86 1x68 n GLY 4 N -0.49 2.79 3.92 3.44 0.00 -1.26 -5.16 105.19 108.43 1x68 n GLY 4 Ca -0.05 -1.10 -0.27 0.00 0.00 0.00 0.00 46.02 44.60 1x68 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x68 s SER 5 N 0.00 6.38 0.30 1.61 0.01 -1.26 -5.07 113.70 115.67 1x68 s SER 5 Ca 0.00 0.66 -0.29 0.00 1.31 0.00 0.00 55.95 57.63 1x68 s SER 5 Cb 0.00 -2.12 -0.10 0.00 0.21 0.00 0.00 66.02 64.01 1x68 s SER 5 CO 0.00 -0.27 1.23 -0.55 0.41 0.00 0.00 173.24 174.06 1x68 s SER 6 N -3.55 6.96 0.00 2.44 0.15 -1.26 -4.71 113.70 113.74 1x68 s SER 6 Ca 0.43 2.51 0.00 0.00 0.70 0.00 0.00 55.95 59.59 1x68 s SER 6 Cb -0.10 -2.64 0.00 0.00 -1.71 0.00 0.00 66.02 61.57 1x68 s SER 6 CO 0.34 -0.40 0.00 0.61 1.20 0.00 0.00 173.24 174.99 1x68 n GLY 7 N 1.11 -0.51 3.63 9.45 0.00 -1.26 -4.19 105.19 113.41 1x68 n GLY 7 Ca 0.00 -0.76 -0.45 0.00 0.00 0.00 0.00 46.02 44.81 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 6.19 1.18 1.00 0.00 0.31 -1.26 -0.08 118.33 125.67 1x68 n VAL 9 Ca 0.25 0.68 0.12 0.00 -0.01 0.00 0.00 64.34 65.38 1x68 n VAL 9 Cb 0.37 -1.68 0.09 0.00 -0.91 0.00 0.00 33.84 31.71 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 -1.73 2.62 -0.55 3.52 0.00 -1.26 -4.66 120.51 118.45 1x68 n ALA 10 Ca -0.01 -0.68 0.00 0.00 0.00 0.00 0.00 53.44 52.75 1x68 n ALA 10 Cb 0.04 -0.81 0.00 0.00 0.00 0.00 0.00 19.45 18.68 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 -2.22 -4.46 0.00 3.41 0.88 -4.98 113.62 106.25 1x68 n SER 12 Ca 0.00 -0.98 -0.32 0.00 -0.26 0.00 0.00 58.87 57.31 1x68 n SER 12 Cb 0.00 -3.36 -0.13 0.00 -0.26 0.00 0.00 64.21 60.46 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 -6.24 2.44 0.05 4.33 1.02 -1.26 -4.54 119.74 115.53 1x68 s LYS 13 Ca 0.17 -0.73 -0.30 0.00 0.02 0.00 0.00 55.97 55.12 1x68 s LYS 13 Cb -0.06 -2.33 -0.08 0.00 -0.52 0.00 0.00 37.83 34.84 1x68 s LYS 13 CO 0.86 0.61 1.64 -1.25 -0.92 0.00 0.00 175.35 176.30 1x68 s PRO 14 N -0.76 4.20 0.14 -1.68 0.04 -1.26 -3.04 135.00 132.64 1x68 s PRO 14 Ca 0.12 2.29 -0.30 0.00 0.04 0.00 0.00 61.00 63.15 1x68 s PRO 14 Cb -0.11 -3.66 -0.07 0.00 0.04 0.00 0.00 34.50 30.71 1x68 s PRO 14 CO 0.01 -0.74 0.97 0.42 0.04 0.00 0.00 177.00 177.69 1x68 s ILE 15 N 2.84 4.38 1.01 0.56 1.01 -1.26 -4.99 121.20 124.75 1x68 s ILE 15 Ca 0.73 2.05 -0.17 0.00 0.00 0.00 0.00 60.65 63.27 1x68 s ILE 15 Cb -0.38 -4.31 0.22 0.00 0.01 0.00 0.00 42.46 38.00 1x68 s ILE 15 CO 0.32 0.35 1.31 -0.55 0.00 0.00 0.00 174.94 176.37 1x68 s SER 16 N -0.24 2.67 0.95 3.58 0.15 -1.26 -5.07 113.70 114.47 1x68 s SER 16 Ca 0.46 0.26 -0.14 0.00 0.70 0.00 0.00 55.95 57.24 1x68 s SER 16 Cb -0.24 -0.29 0.21 0.00 -1.71 0.00 0.00 66.02 63.99 1x68 s SER 16 CO 0.31 -3.01 1.29 -0.83 1.20 0.00 0.00 173.24 172.19 1x68 s GLY 17 N -4.79 1.81 0.00 9.45 0.00 -1.26 -4.92 107.32 107.61 1x68 s GLY 17 Ca 0.75 -1.41 0.00 0.00 0.00 0.00 0.00 44.72 44.06 1x68 s GLY 17 CO 0.54 -0.62 0.31 1.04 0.00 0.00 0.00 173.10 174.36 1x68 n LEU 18 N -3.68 0.01 -0.64 0.66 4.77 -1.26 -3.30 117.00 113.57 1x68 n LEU 18 Ca 0.17 -0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 1x68 n LEU 18 Cb 0.59 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.68 1x68 n LEU 18 CO 0.43 0.00 0.16 1.07 -1.33 0.00 0.00 177.39 177.72 1x68 n THR 19 N -0.47 0.13 0.00 -5.08 5.66 -1.26 -4.47 114.28 108.79 1x68 n THR 19 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1x68 n THR 19 Cb 0.00 -0.38 0.00 0.00 -1.55 0.00 0.00 70.33 68.40 1x68 n THR 19 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1x68 n GLY 20 N 0.39 0.97 3.48 1.09 0.00 -1.26 -5.07 105.19 104.79 1x68 n GLY 20 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.00 3.04 0.11 4.61 0.00 -1.21 -5.00 121.76 121.31 1x68 s ALA 21 Ca 0.00 -1.67 -0.30 0.00 0.00 0.00 0.00 51.96 49.98 1x68 s ALA 21 Cb 0.00 -3.93 -0.07 0.00 0.00 0.00 0.00 23.12 19.13 1x68 s ALA 21 CO 0.00 -2.84 1.21 -1.59 0.00 0.00 0.00 175.76 172.54 1x68 s LYS 22 N 4.40 4.45 0.14 0.00 -2.85 -1.26 -4.71 119.74 119.91 1x68 s LYS 22 Ca 0.26 1.82 -0.07 0.00 -1.00 0.00 0.00 55.97 56.98 1x68 s LYS 22 Cb -0.15 -3.31 -0.02 0.00 -2.06 0.00 0.00 37.83 32.30 1x68 s LYS 22 CO 0.12 -0.21 0.20 -0.59 0.10 0.00 0.00 175.35 174.98 1x68 s PHE 23 N 0.69 0.50 -0.35 1.78 -0.12 -1.26 -4.32 117.98 114.89 1x68 s PHE 23 Ca 0.57 -0.88 0.01 0.00 -0.05 0.00 0.00 56.93 56.58 1x68 s PHE 23 Cb -0.31 -0.18 0.09 0.00 -0.63 0.00 0.00 43.02 42.00 1x68 s PHE 23 CO 0.32 -0.64 0.09 0.42 -0.05 0.00 0.00 175.22 175.35 1x68 s ILE 24 N -3.98 2.74 -0.36 -4.49 -1.09 0.16 -4.91 121.20 109.26 1x68 s ILE 24 Ca 0.17 -2.06 -0.27 0.00 -2.23 0.00 0.00 60.65 56.27 1x68 s ILE 24 Cb 0.05 -2.87 0.02 0.00 -1.58 0.00 0.00 42.46 38.07 1x68 s ILE 24 CO -0.01 -0.52 1.00 0.00 -1.23 0.00 0.00 174.94 174.18 1x68 s PHE 26 N 3.64 -0.06 -1.09 0.00 5.36 -0.46 -4.96 117.98 120.42 1x68 s PHE 26 Ca 0.42 0.09 -0.25 0.00 -0.96 0.00 0.00 56.93 56.23 1x68 s PHE 26 Cb -0.11 0.01 0.03 0.00 -0.34 0.00 0.00 43.02 42.61 1x68 s PHE 26 CO 0.19 -0.27 0.47 1.04 -1.46 0.00 0.00 175.22 175.19 1x68 n GLN 27 N 1.76 -0.44 -1.86 10.12 6.02 -1.26 -0.84 117.38 130.88 1x68 n GLN 27 Ca -0.20 -0.02 -0.09 0.00 -0.01 0.00 0.00 57.00 56.68 1x68 n GLN 27 Cb 0.56 -2.13 -0.02 0.00 1.02 0.00 0.00 30.24 29.67 1x68 n GLN 27 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 1x68 n ASP 28 N -1.80 -2.76 -4.38 1.08 5.68 -1.26 -4.92 116.55 108.18 1x68 n ASP 28 Ca -0.13 0.25 -0.19 0.00 -0.50 0.00 0.00 54.79 54.22 1x68 n ASP 28 Cb 0.50 -2.55 -0.10 0.00 -1.14 0.00 0.00 41.12 37.83 1x68 n ASP 28 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1x68 s SER 29 N -1.90 2.29 -0.22 -1.12 0.15 -0.02 -5.15 113.70 107.73 1x68 s SER 29 Ca 0.00 -1.21 -0.01 0.00 0.70 0.00 0.00 55.95 55.43 1x68 s SER 29 Cb 0.00 -0.08 0.06 0.00 -1.71 0.00 0.00 66.02 64.29 1x68 s SER 29 CO 0.00 -0.44 -0.02 -1.10 1.20 0.00 0.00 173.24 172.88 1x68 s GLN 30 N -3.80 1.26 0.09 5.44 -0.21 -1.26 -1.35 119.66 119.82 1x68 s GLN 30 Ca 0.29 -0.80 0.02 0.00 0.02 0.00 0.00 55.36 54.90 1x68 s GLN 30 Cb 0.05 -2.42 -0.04 0.00 1.00 0.00 0.00 33.01 31.61 1x68 s GLN 30 CO 0.10 -0.62 0.14 -1.58 -2.12 0.00 0.00 175.29 171.21 1x68 s TRP 31 N 1.56 3.30 0.43 0.91 0.51 -0.35 -3.76 118.94 121.54 1x68 s TRP 31 Ca -0.04 0.12 -0.16 0.00 -2.12 0.00 0.00 56.10 53.90 1x68 s TRP 31 Cb -0.18 -1.65 -0.09 0.00 -0.81 0.00 0.00 33.47 30.74 1x68 s TRP 31 CO -0.07 0.54 0.88 -1.01 -0.51 0.00 0.00 176.95 176.78 1x68 s HIS 32 N -1.49 3.40 0.34 -1.98 3.76 -1.26 -0.67 115.29 117.39 1x68 s HIS 32 Ca 0.31 1.36 0.04 0.00 -0.15 0.00 0.00 55.06 56.63 1x68 s HIS 32 Cb -0.12 -2.68 0.67 0.00 1.11 0.00 0.00 32.58 31.56 1x68 s HIS 32 CO 0.24 -0.15 1.94 1.03 -0.85 0.00 0.00 174.74 176.95 1x68 h SER 33 N 1.51 0.74 0.85 1.40 0.87 -1.91 0.12 113.55 117.13 1x68 h SER 33 Ca -0.48 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.09 1x68 h SER 33 Cb 1.18 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.99 1x68 h SER 33 CO 0.63 0.48 0.00 -0.33 -0.53 0.00 0.00 176.83 177.07 1x68 h GLU 34 N 0.84 0.00 0.00 2.24 5.08 -1.93 -3.27 114.58 117.54 1x68 h GLU 34 Ca 0.34 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.64 1x68 h GLU 34 Cb 0.24 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.37 1x68 h GLU 34 CO -0.12 0.00 -0.59 0.00 -1.00 0.00 0.00 179.01 177.30 1x68 s PHE 36 N -1.98 3.58 0.26 0.00 5.36 -0.73 -4.48 117.98 120.00 1x68 s PHE 36 Ca 0.33 -2.40 -0.04 0.00 -0.96 0.00 0.00 56.93 53.87 1x68 s PHE 36 Cb 0.33 -3.20 -0.02 0.00 -0.34 0.00 0.00 43.02 39.80 1x68 s PHE 36 CO -0.08 -0.97 0.33 0.54 -1.46 0.00 0.00 175.22 173.58 1x68 s ASN 37 N 1.81 0.44 -0.37 6.13 2.20 -1.26 -2.36 114.94 121.53 1x68 s ASN 37 Ca 0.08 -1.32 -0.28 0.00 -0.94 0.00 0.00 52.86 50.40 1x68 s ASN 37 Cb -0.23 0.53 -0.03 0.00 -2.00 0.00 0.00 41.25 39.52 1x68 s ASN 37 CO -0.04 -1.06 1.94 0.00 -2.94 0.00 0.00 177.10 175.00 1x68 h GLY 39 N 14.92 0.24 2.00 0.00 0.00 -1.88 0.32 103.07 118.68 1x68 h GLY 39 Ca -0.33 -0.05 -0.07 0.00 0.00 0.00 0.00 47.33 46.88 1x68 h GLY 39 CO 1.06 -0.01 -0.34 0.50 0.00 0.00 0.00 176.54 177.76 1x68 h LYS 40 N 0.10 0.00 0.00 4.80 1.57 -1.90 -3.40 116.57 117.74 1x68 h LYS 40 Ca 0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.22 1x68 h LYS 40 Cb 1.58 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.89 1x68 h LYS 40 CO -0.06 0.34 -0.24 0.00 -0.57 0.00 0.00 179.45 178.92 1x68 n SER 42 N -0.54 -3.70 -3.72 0.00 2.88 0.99 -5.01 113.62 104.52 1x68 n SER 42 Ca 0.00 0.28 -0.12 0.00 -1.33 0.00 0.00 58.87 57.70 1x68 n SER 42 Cb 0.04 -2.24 -0.10 0.00 -0.75 0.00 0.00 64.21 61.17 1x68 n SER 42 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1x68 s VAL 43 N -0.94 -0.01 0.51 2.46 0.11 -1.26 -4.89 120.40 116.38 1x68 s VAL 43 Ca 0.03 0.03 -0.22 0.00 -2.93 0.00 0.00 61.98 58.90 1x68 s VAL 43 Cb -0.01 -0.59 -0.08 0.00 -1.53 0.00 0.00 36.38 34.17 1x68 s VAL 43 CO 0.22 0.01 1.03 -0.24 -3.33 0.00 0.00 175.10 172.79 1x68 n SER 44 N 3.34 1.22 0.00 3.54 2.88 -1.26 -0.50 113.62 122.83 1x68 n SER 44 Ca -0.17 0.93 0.00 0.00 -1.33 0.00 0.00 58.87 58.31 1x68 n SER 44 Cb 0.56 -1.39 0.00 0.00 -0.75 0.00 0.00 64.21 62.63 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 -0.16 1.19 -4.57 2.46 4.77 -0.99 -4.74 117.00 114.97 1x68 n LEU 45 Ca 0.11 -1.19 -0.39 0.00 -0.03 0.00 0.00 56.01 54.50 1x68 n LEU 45 Cb 0.43 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.49 1x68 n LEU 45 CO 0.53 0.30 1.75 -0.69 -1.33 0.00 0.00 177.39 177.95 1x68 s VAL 46 N -0.19 3.23 0.00 4.08 1.01 -1.26 -1.76 120.40 125.51 1x68 s VAL 46 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.16 1x68 s VAL 46 Cb 0.00 -3.49 0.00 0.00 0.00 0.00 0.00 36.38 32.89 1x68 s VAL 46 CO 0.00 -0.43 0.00 0.61 0.00 0.00 0.00 175.10 175.28 1x68 n GLY 47 N 5.74 0.63 3.08 4.51 0.00 -1.26 -4.97 105.19 112.92 1x68 n GLY 47 Ca 0.27 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.17 2.69 -0.02 1.61 1.02 -0.72 -5.04 119.74 119.11 1x68 s LYS 48 Ca 0.00 -2.75 -0.01 0.00 0.02 0.00 0.00 55.97 53.23 1x68 s LYS 48 Cb 0.00 -3.74 -0.01 0.00 -0.52 0.00 0.00 37.83 33.56 1x68 s LYS 48 CO 0.00 -1.20 0.07 0.41 -0.92 0.00 0.00 175.35 173.72 1x68 n GLY 49 N 3.13 -0.01 3.74 -3.33 0.00 -1.26 -4.71 105.19 102.76 1x68 n GLY 49 Ca 0.11 0.04 -0.23 0.00 0.00 0.00 0.00 46.02 45.94 1x68 n GLY 49 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1x68 s PHE 50 N 0.20 2.73 0.10 1.61 -0.71 -1.26 -4.02 117.98 116.63 1x68 s PHE 50 Ca 0.04 -0.37 0.04 0.00 -1.04 0.00 0.00 56.93 55.59 1x68 s PHE 50 Cb -0.05 -1.65 -0.04 0.00 -1.21 0.00 0.00 43.02 40.07 1x68 s PHE 50 CO 0.02 0.33 0.09 -0.51 -1.34 0.00 0.00 175.22 173.81 1x68 s LEU 51 N -3.86 3.80 -0.25 -1.99 1.02 -0.13 -4.94 118.68 112.33 1x68 s LEU 51 Ca 0.38 -0.04 0.01 0.00 0.02 0.00 0.00 54.13 54.50 1x68 s LEU 51 Cb -0.03 -2.46 0.06 0.00 0.02 0.00 0.00 46.19 43.78 1x68 s LEU 51 CO 0.23 0.15 -0.05 0.42 0.02 0.00 0.00 176.35 177.11 1x68 s THR 52 N -1.47 1.68 0.03 5.49 -4.23 -1.26 -1.57 115.64 114.31 1x68 s THR 52 Ca 0.30 -1.38 -0.04 0.00 -1.18 0.00 0.00 61.69 59.39 1x68 s THR 52 Cb -0.12 -1.94 -0.01 0.00 1.34 0.00 0.00 72.50 71.77 1x68 s THR 52 CO 0.22 -0.14 0.06 0.00 -0.54 0.00 0.00 174.62 174.22 1x68 s GLN 53 N 1.31 0.48 -0.83 3.99 -2.07 -1.18 -4.89 119.66 116.48 1x68 s GLN 53 Ca -0.05 -0.67 -0.05 0.00 -1.82 0.00 0.00 55.36 52.77 1x68 s GLN 53 Cb -0.19 0.19 0.04 0.00 -1.09 0.00 0.00 33.01 31.96 1x68 s GLN 53 CO -0.07 -0.11 0.19 0.09 -1.32 0.00 0.00 175.29 174.08 1x68 n ASN 54 N 1.11 -2.61 0.00 12.60 5.03 -1.26 -0.36 115.26 129.77 1x68 n ASN 54 Ca -0.21 -0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.24 1x68 n ASN 54 Cb 0.57 -2.26 0.00 0.00 -1.02 0.00 0.00 39.78 37.07 1x68 n ASN 54 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1x68 n LYS 55 N -3.08 0.00 -1.27 3.52 4.01 -1.26 -5.00 118.16 115.08 1x68 n LYS 55 Ca -0.03 0.00 -0.17 0.00 -0.51 0.00 0.00 58.31 57.59 1x68 n LYS 55 Cb 0.54 -2.29 0.12 0.00 -0.51 0.00 0.00 35.03 32.89 1x68 n LYS 55 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 1x68 n GLU 56 N -2.00 -0.65 -3.73 1.97 -0.58 0.51 -5.11 120.64 111.06 1x68 n GLU 56 Ca 0.00 -1.33 -0.17 0.00 -0.42 0.00 0.00 57.16 55.24 1x68 n GLU 56 Cb 0.00 -0.77 -0.17 0.00 -0.57 0.00 0.00 31.44 29.93 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 -2.63 -0.08 0.04 -3.67 -4.36 -1.26 -3.12 121.20 106.12 1x68 s ILE 57 Ca 0.45 0.30 -0.00 0.00 -0.26 0.00 0.00 60.65 61.14 1x68 s ILE 57 Cb -0.01 -0.11 -0.03 0.00 1.25 0.00 0.00 42.46 43.56 1x68 s ILE 57 CO 0.32 0.12 -0.03 -0.36 0.24 0.00 0.00 174.94 175.23 1x68 s PHE 58 N 1.50 0.45 0.65 1.37 0.08 -0.61 -2.89 117.98 118.52 1x68 s PHE 58 Ca -0.04 -0.83 -0.15 0.00 0.12 0.00 0.00 56.93 56.03 1x68 s PHE 58 Cb -0.13 -0.32 -0.01 0.00 -0.57 0.00 0.00 43.02 41.99 1x68 s PHE 58 CO -0.03 -0.28 1.11 0.00 -0.10 0.00 0.00 175.22 175.91 1x68 h GLN 60 N 0.14 -0.15 -0.62 0.00 -0.00 -1.90 -0.37 115.11 112.21 1x68 h GLN 60 Ca -0.47 0.01 0.11 0.00 -0.00 0.00 0.00 58.65 58.30 1x68 h GLN 60 Cb 1.24 0.03 -0.08 0.00 0.00 0.00 0.00 27.48 28.68 1x68 h GLN 60 CO 0.55 -0.10 0.19 -0.22 0.00 0.00 0.00 178.83 179.25 1x68 h LYS 61 N -0.15 0.33 -0.20 1.69 3.11 -1.92 0.24 116.57 119.67 1x68 h LYS 61 Ca 0.13 -0.02 -0.03 0.00 -2.81 0.00 0.00 60.65 57.93 1x68 h LYS 61 Cb 0.35 -0.07 -0.01 0.00 -1.00 0.00 0.00 32.23 31.50 1x68 h LYS 61 CO -0.32 0.22 0.02 0.00 -2.81 0.00 0.00 179.45 176.56 1x68 h GLY 63 N 0.12 0.00 -5.68 0.00 0.00 -0.27 -3.33 103.07 93.92 1x68 h GLY 63 Ca 0.06 0.00 -0.72 0.00 0.00 0.00 0.00 47.33 46.67 1x68 h GLY 63 CO 0.01 0.00 2.86 -1.26 0.00 0.00 0.00 176.54 178.15 1x68 n SER 64 N -2.63 7.01 -3.65 0.19 2.88 0.77 -4.86 113.62 113.33 1x68 n SER 64 Ca 0.01 -2.93 -0.15 0.00 -1.33 0.00 0.00 58.87 54.47 1x68 n SER 64 Cb 0.26 -1.49 -0.08 0.00 -0.75 0.00 0.00 64.21 62.16 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 1.41 1.78 -0.12 0.46 0.00 -1.25 -4.95 107.32 104.65 1x68 s GLY 65 Ca 0.54 -1.78 -0.29 0.00 0.00 0.00 0.00 44.72 43.19 1x68 s GLY 65 CO -0.06 -1.31 1.43 -3.16 0.00 0.00 0.00 173.10 170.00 1x68 s MET 66 N -3.64 4.21 0.15 2.90 0.23 -1.26 -4.98 119.30 116.91 1x68 s MET 66 Ca 0.37 1.89 -0.31 0.00 -1.03 0.00 0.00 55.69 56.60 1x68 s MET 66 Cb 0.03 -3.86 -0.09 0.00 -1.53 0.00 0.00 34.83 29.37 1x68 s MET 66 CO 0.20 -0.77 1.51 0.34 -2.03 0.00 0.00 175.02 174.27 1x68 s ASP 67 N 2.58 6.66 0.00 -1.18 2.15 -1.26 -4.89 116.67 120.74 1x68 s ASP 67 Ca 0.63 2.53 0.00 0.00 0.43 0.00 0.00 52.55 56.13 1x68 s ASP 67 Cb -0.27 -2.59 0.00 0.00 -0.30 0.00 0.00 42.92 39.76 1x68 s ASP 67 CO 0.21 -0.77 0.00 0.35 -0.17 0.00 0.00 175.17 174.79 1x68 n THR 68 N 3.95 0.00 -2.78 1.71 -2.24 -1.26 -4.95 114.28 108.71 1x68 n THR 68 Ca 0.13 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.48 1x68 n THR 68 Cb 0.40 -0.20 -0.02 0.00 -2.10 0.00 0.00 70.33 68.41 1x68 n THR 68 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1x68 s ASP 69 N -1.40 6.67 0.00 3.42 -1.08 -1.26 -4.82 116.67 118.19 1x68 s ASP 69 Ca 0.00 -2.02 0.15 0.00 -0.52 0.00 0.00 52.55 50.15 1x68 s ASP 69 Cb 0.00 -2.47 0.77 0.00 -1.46 0.00 0.00 42.92 39.76 1x68 s ASP 69 CO 0.00 -1.17 1.40 2.30 0.52 0.00 0.00 175.17 178.21 1x68 n ILE 70 N 5.92 0.50 -2.75 4.11 -5.35 -1.26 -4.80 119.36 115.73 1x68 n ILE 70 Ca 0.31 0.13 -0.37 0.00 -0.27 0.00 0.00 62.75 62.54 1x68 n ILE 70 Cb 0.49 -0.88 -0.06 0.00 -1.74 0.00 0.00 39.64 37.44 1x68 n ILE 70 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1x68 s SER 71 N -2.49 7.33 0.00 7.28 1.04 -1.26 -4.96 113.70 120.64 1x68 s SER 71 Ca 0.15 1.88 0.00 0.00 0.48 0.00 0.00 55.95 58.46 1x68 s SER 71 Cb 0.10 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.63 1x68 s SER 71 CO 0.22 -0.07 0.00 0.61 0.98 0.00 0.00 173.24 174.97 1x68 n GLY 72 N 0.68 0.63 3.74 7.32 0.00 -1.26 -5.10 105.19 111.20 1x68 n GLY 72 Ca 0.02 0.24 -0.30 0.00 0.00 0.00 0.00 46.02 45.98 1x68 n GLY 72 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x68 s PRO 73 N 0.00 1.60 -0.33 1.61 0.04 -1.26 -4.99 135.00 131.67 1x68 s PRO 73 Ca 0.00 0.83 -0.24 0.00 0.04 0.00 0.00 61.00 61.63 1x68 s PRO 73 Cb 0.00 -1.85 0.01 0.00 0.04 0.00 0.00 34.50 32.70 1x68 s PRO 73 CO 0.00 -2.00 0.82 -1.12 0.04 0.00 0.00 177.00 174.73 1x68 s SER 74 N -3.53 6.65 0.17 6.66 0.01 -1.26 -5.03 113.70 117.37 1x68 s SER 74 Ca 0.62 0.59 0.01 0.00 1.31 0.00 0.00 55.95 58.48 1x68 s SER 74 Cb -0.17 -2.42 -0.04 0.00 0.21 0.00 0.00 66.02 63.60 1x68 s SER 74 CO 0.56 -0.69 0.02 -0.44 0.41 0.00 0.00 173.24 173.10 1x68 s SER 75 N 1.71 1.02 0.00 2.44 0.01 -1.26 -5.35 113.70 112.27 1x68 s SER 75 Ca 0.33 -1.19 0.29 0.00 1.31 0.00 0.00 55.95 56.70 1x68 s SER 75 Cb -0.13 0.16 1.19 0.00 0.21 0.00 0.00 66.02 67.44 1x68 s SER 75 CO 0.15 -0.61 1.82 0.61 0.41 0.00 0.00 173.24 175.62