#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 5.43 0.20 1.61 0.15 -1.26 -4.91 113.70 114.93 1x68 s SER 2 Ca 0.00 -0.03 -0.06 0.00 0.70 0.00 0.00 55.95 56.57 1x68 s SER 2 Cb 0.00 -2.54 -0.02 0.00 -1.71 0.00 0.00 66.02 61.74 1x68 s SER 2 CO 0.00 -2.32 0.24 -0.44 1.20 0.00 0.00 173.24 171.92 1x68 s SER 3 N 7.29 0.08 0.00 5.45 0.01 -1.26 -4.94 113.70 120.34 1x68 s SER 3 Ca 0.62 -1.15 0.00 0.00 1.31 0.00 0.00 55.95 56.73 1x68 s SER 3 Cb -0.10 0.44 0.00 0.00 0.21 0.00 0.00 66.02 66.56 1x68 s SER 3 CO 0.15 -0.92 0.00 0.61 0.41 0.00 0.00 173.24 173.49 1x68 n GLY 4 N -0.27 2.24 3.17 3.44 0.00 -1.26 -4.93 105.19 107.57 1x68 n GLY 4 Ca -0.02 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.05 1x68 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x68 s SER 5 N -3.60 -0.52 0.14 1.61 1.04 -1.26 -5.13 113.70 105.98 1x68 s SER 5 Ca 0.00 0.37 -0.31 0.00 0.48 0.00 0.00 55.95 56.49 1x68 s SER 5 Cb 0.00 1.45 -0.11 0.00 0.10 0.00 0.00 66.02 67.47 1x68 s SER 5 CO 0.00 -0.10 1.76 -0.44 0.98 0.00 0.00 173.24 175.44 1x68 s SER 6 N 2.87 6.45 0.13 7.02 0.01 -1.26 -4.93 113.70 123.99 1x68 s SER 6 Ca 0.00 2.75 -0.07 0.00 1.31 0.00 0.00 55.95 59.94 1x68 s SER 6 Cb -0.10 -2.58 0.03 0.00 0.21 0.00 0.00 66.02 63.58 1x68 s SER 6 CO -0.12 -0.97 0.35 0.61 0.41 0.00 0.00 173.24 173.52 1x68 n GLY 7 N 4.10 1.38 3.70 3.44 0.00 -1.26 -3.98 105.19 112.57 1x68 n GLY 7 Ca 0.17 -1.08 -0.42 0.00 0.00 0.00 0.00 46.02 44.69 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 4.58 0.02 -0.29 0.00 2.07 -1.89 0.33 116.25 121.07 1x68 h VAL 9 Ca -0.44 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.08 1x68 h VAL 9 Cb 1.21 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 31.82 1x68 h VAL 9 CO 0.94 0.00 0.00 0.00 0.02 0.00 0.00 177.57 178.53 1x68 n ALA 10 N -2.00 2.43 -0.83 1.67 0.00 -1.26 -4.63 120.51 115.90 1x68 n ALA 10 Ca -0.02 -0.90 0.00 0.00 0.00 0.00 0.00 53.44 52.51 1x68 n ALA 10 Cb 0.22 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 18.81 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 -4.26 -4.87 0.00 7.64 0.10 -4.91 113.62 107.32 1x68 n SER 12 Ca 0.00 0.17 -0.31 0.00 1.01 0.00 0.00 58.87 59.74 1x68 n SER 12 Cb 0.01 -3.63 -0.05 0.00 -1.01 0.00 0.00 64.21 59.53 1x68 n SER 12 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1x68 s LYS 13 N -4.86 3.82 -0.13 1.43 1.02 -1.26 -4.80 119.74 114.96 1x68 s LYS 13 Ca 0.00 0.35 -0.29 0.00 0.02 0.00 0.00 55.97 56.04 1x68 s LYS 13 Cb 0.00 -2.57 -0.04 0.00 -0.52 0.00 0.00 37.83 34.70 1x68 s LYS 13 CO 0.00 0.23 1.55 -1.25 -0.92 0.00 0.00 175.35 174.96 1x68 s PRO 14 N -3.06 4.07 0.89 -1.68 0.04 -1.26 -2.53 135.00 131.47 1x68 s PRO 14 Ca 0.49 1.90 -0.11 0.00 0.04 0.00 0.00 61.00 63.32 1x68 s PRO 14 Cb -0.11 -3.95 0.13 0.00 0.04 0.00 0.00 34.50 30.61 1x68 s PRO 14 CO 0.22 -0.96 1.11 0.42 0.04 0.00 0.00 177.00 177.83 1x68 s ILE 15 N 4.29 2.57 0.01 0.56 -1.09 -1.26 -4.97 121.20 121.31 1x68 s ILE 15 Ca 0.68 0.19 -0.02 0.00 -2.23 0.00 0.00 60.65 59.27 1x68 s ILE 15 Cb -0.28 -2.45 -0.01 0.00 -1.58 0.00 0.00 42.46 38.14 1x68 s ILE 15 CO 0.26 -0.24 0.03 -0.44 -1.23 0.00 0.00 174.94 173.31 1x68 s SER 16 N -3.03 0.12 0.00 3.58 0.01 -1.26 -5.06 113.70 108.05 1x68 s SER 16 Ca 0.65 -0.28 0.00 0.00 1.31 0.00 0.00 55.95 57.62 1x68 s SER 16 Cb -0.20 0.12 0.00 0.00 0.21 0.00 0.00 66.02 66.15 1x68 s SER 16 CO 0.58 -0.24 0.00 0.61 0.41 0.00 0.00 173.24 174.60 1x68 n GLY 17 N 1.95 0.00 0.18 3.44 0.00 -1.26 -4.31 105.19 105.19 1x68 n GLY 17 Ca -0.21 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.76 1x68 n GLY 17 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1x68 h LEU 18 N 0.00 0.26 0.00 0.99 -0.00 -1.98 -0.13 115.31 114.45 1x68 h LEU 18 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 57.88 57.91 1x68 h LEU 18 Cb 0.03 -0.02 0.00 0.00 -0.00 0.00 0.00 40.66 40.68 1x68 h LEU 18 CO 0.00 0.19 0.00 0.41 -0.00 0.00 0.00 178.44 179.04 1x68 n THR 19 N -4.94 0.00 -3.50 0.22 -1.04 -1.26 -4.86 114.28 98.90 1x68 n THR 19 Ca 0.02 0.00 -0.25 0.00 -2.04 0.00 0.00 64.05 61.78 1x68 n THR 19 Cb 0.12 -0.29 0.04 0.00 -1.82 0.00 0.00 70.33 68.38 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 0.22 -0.52 3.77 3.41 0.00 -0.06 -4.92 105.19 107.09 1x68 n GLY 20 Ca 0.04 0.19 -0.40 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.23 3.39 -0.38 4.61 0.00 -1.26 -4.94 121.76 119.96 1x68 s ALA 21 Ca 0.51 1.45 -0.29 0.00 0.00 0.00 0.00 51.96 53.64 1x68 s ALA 21 Cb -0.24 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.31 1x68 s ALA 21 CO 0.63 -1.03 1.53 0.15 0.00 0.00 0.00 175.76 177.04 1x68 s LYS 22 N -2.22 3.52 0.13 0.00 -0.14 -1.26 -4.91 119.74 114.86 1x68 s LYS 22 Ca 0.56 1.12 -0.03 0.00 -1.36 0.00 0.00 55.97 56.25 1x68 s LYS 22 Cb -0.44 -4.07 -0.03 0.00 -1.68 0.00 0.00 37.83 31.61 1x68 s LYS 22 CO 0.57 -1.63 0.11 -0.59 -0.76 0.00 0.00 175.35 173.06 1x68 s PHE 23 N 5.82 0.67 -0.06 3.18 -0.12 -1.26 -2.51 117.98 123.70 1x68 s PHE 23 Ca 0.67 -1.06 0.02 0.00 -0.05 0.00 0.00 56.93 56.51 1x68 s PHE 23 Cb -0.17 -0.34 0.01 0.00 -0.63 0.00 0.00 43.02 41.90 1x68 s PHE 23 CO 0.33 -0.56 -0.12 0.42 -0.05 0.00 0.00 175.22 175.23 1x68 s ILE 24 N -4.00 1.15 -0.22 -4.49 1.01 0.82 -4.86 121.20 110.60 1x68 s ILE 24 Ca 0.20 -0.49 -0.16 0.00 0.00 0.00 0.00 60.65 60.20 1x68 s ILE 24 Cb 0.06 -1.05 -0.04 0.00 0.01 0.00 0.00 42.46 41.45 1x68 s ILE 24 CO -0.01 0.36 0.39 0.00 0.00 0.00 0.00 174.94 175.68 1x68 s PHE 26 N 1.48 -0.28 -1.24 0.00 2.19 -0.06 -4.95 117.98 115.11 1x68 s PHE 26 Ca 0.18 0.75 -0.31 0.00 0.33 0.00 0.00 56.93 57.87 1x68 s PHE 26 Cb -0.15 -0.12 0.04 0.00 -1.31 0.00 0.00 43.02 41.48 1x68 s PHE 26 CO 0.08 -0.28 0.63 1.04 1.83 0.00 0.00 175.22 178.52 1x68 n GLN 27 N 5.05 -0.37 -1.11 10.12 3.00 -1.26 -1.10 117.38 131.71 1x68 n GLN 27 Ca -0.11 0.09 -0.04 0.00 -0.01 0.00 0.00 57.00 56.94 1x68 n GLN 27 Cb 0.50 -2.69 -0.02 0.00 0.00 0.00 0.00 30.24 28.03 1x68 n GLN 27 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 1x68 n ASP 28 N -2.24 -5.36 -4.42 1.08 8.00 -1.26 -4.99 116.55 107.35 1x68 n ASP 28 Ca -0.13 0.09 -0.23 0.00 0.71 0.00 0.00 54.79 55.23 1x68 n ASP 28 Cb 0.58 -3.20 -0.10 0.00 -0.02 0.00 0.00 41.12 38.37 1x68 n ASP 28 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1x68 s SER 29 N -2.18 3.26 -0.09 -2.24 0.01 -0.26 -5.15 113.70 107.05 1x68 s SER 29 Ca 0.00 -0.98 0.03 0.00 1.31 0.00 0.00 55.95 56.30 1x68 s SER 29 Cb 0.00 -0.24 -0.01 0.00 0.21 0.00 0.00 66.02 65.97 1x68 s SER 29 CO 0.00 0.00 -0.18 -1.10 0.41 0.00 0.00 173.24 172.38 1x68 s GLN 30 N -3.32 2.97 -0.11 12.44 -0.21 -1.26 -0.88 119.66 129.29 1x68 s GLN 30 Ca 0.25 -0.76 0.02 0.00 0.02 0.00 0.00 55.36 54.89 1x68 s GLN 30 Cb -0.05 -2.43 0.01 0.00 1.00 0.00 0.00 33.01 31.55 1x68 s GLN 30 CO 0.12 0.33 -0.18 -1.58 -2.12 0.00 0.00 175.29 171.86 1x68 s TRP 31 N 0.01 2.13 0.54 0.91 0.51 -0.05 -2.70 118.94 120.29 1x68 s TRP 31 Ca -0.06 -0.97 -0.20 0.00 -2.12 0.00 0.00 56.10 52.75 1x68 s TRP 31 Cb -0.15 -1.49 -0.05 0.00 -0.81 0.00 0.00 33.47 30.97 1x68 s TRP 31 CO 0.05 -0.46 1.19 -1.01 -0.51 0.00 0.00 176.95 176.20 1x68 s HIS 32 N 0.80 2.57 0.19 -1.98 3.76 -1.26 -0.13 115.29 119.23 1x68 s HIS 32 Ca -0.10 1.51 -0.17 0.00 -0.15 0.00 0.00 55.06 56.15 1x68 s HIS 32 Cb -0.16 -3.44 0.16 0.00 1.11 0.00 0.00 32.58 30.25 1x68 s HIS 32 CO 0.01 -1.94 1.62 0.77 -0.85 0.00 0.00 174.74 174.35 1x68 h SER 33 N 1.30 -0.75 0.48 1.40 0.02 -1.82 0.25 113.55 114.43 1x68 h SER 33 Ca -0.50 0.18 0.00 0.00 -0.84 0.00 0.00 61.79 60.63 1x68 h SER 33 Cb 1.28 0.42 0.00 0.00 0.14 0.00 0.00 62.40 64.24 1x68 h SER 33 CO 0.57 -0.24 0.00 -0.62 -1.14 0.00 0.00 176.83 175.40 1x68 n GLU 34 N -5.41 0.13 -0.00 3.45 4.71 -1.26 -2.51 120.64 119.74 1x68 n GLU 34 Ca 0.05 0.44 0.09 0.00 -0.01 0.00 0.00 57.16 57.72 1x68 n GLU 34 Cb 0.32 -1.78 -0.12 0.00 -1.01 0.00 0.00 31.44 28.85 1x68 n GLU 34 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1x68 s PHE 36 N -2.89 2.38 0.19 0.00 5.36 -0.84 -4.89 117.98 117.28 1x68 s PHE 36 Ca 0.03 0.04 -0.03 0.00 -0.96 0.00 0.00 56.93 56.01 1x68 s PHE 36 Cb 0.13 -4.58 -0.03 0.00 -0.34 0.00 0.00 43.02 38.20 1x68 s PHE 36 CO 0.76 -1.94 0.17 -0.80 -1.46 0.00 0.00 175.22 171.96 1x68 s ASN 37 N 3.54 0.14 -0.16 6.13 0.01 -1.26 -2.36 114.94 120.98 1x68 s ASN 37 Ca 0.36 -1.24 -0.29 0.00 -0.71 0.00 0.00 52.86 50.98 1x68 s ASN 37 Cb -0.08 0.39 -0.05 0.00 0.41 0.00 0.00 41.25 41.93 1x68 s ASN 37 CO 0.17 -0.86 1.84 0.00 -1.51 0.00 0.00 177.10 176.74 1x68 h GLY 39 N 12.27 0.00 0.69 0.00 0.00 -1.59 0.14 103.07 114.57 1x68 h GLY 39 Ca -0.39 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.94 1x68 h GLY 39 CO 0.98 0.00 -1.14 0.28 0.00 0.00 0.00 176.54 176.66 1x68 n LYS 40 N -2.77 0.46 0.00 4.80 5.02 -1.26 -4.77 118.16 119.63 1x68 n LYS 40 Ca -0.02 0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1x68 n LYS 40 Cb 0.20 -1.67 0.00 0.00 -0.02 0.00 0.00 35.03 33.54 1x68 n LYS 40 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1x68 n SER 42 N -0.01 -2.86 -3.77 0.00 7.64 0.34 -4.99 113.62 109.98 1x68 n SER 42 Ca 0.00 0.08 -0.13 0.00 1.01 0.00 0.00 58.87 59.84 1x68 n SER 42 Cb 0.00 -1.63 -0.11 0.00 -1.01 0.00 0.00 64.21 61.46 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 -1.18 0.01 0.03 0.44 0.11 -1.26 -4.87 120.40 113.68 1x68 s VAL 43 Ca 0.03 -0.08 -0.31 0.00 -2.93 0.00 0.00 61.98 58.69 1x68 s VAL 43 Cb -0.01 -0.46 -0.10 0.00 -1.53 0.00 0.00 36.38 34.28 1x68 s VAL 43 CO 0.11 -0.04 1.91 -0.24 -3.33 0.00 0.00 175.10 173.50 1x68 n SER 44 N 2.66 3.94 -1.00 3.54 2.88 -1.26 -1.40 113.62 122.97 1x68 n SER 44 Ca -0.14 0.95 0.12 0.00 -1.33 0.00 0.00 58.87 58.46 1x68 n SER 44 Cb 0.58 -1.49 0.16 0.00 -0.75 0.00 0.00 64.21 62.70 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 6.71 3.07 -4.77 2.46 4.77 -1.00 -4.91 117.00 123.33 1x68 n LEU 45 Ca 0.20 -1.14 -0.41 0.00 -0.03 0.00 0.00 56.01 54.64 1x68 n LEU 45 Cb 0.37 -0.08 -0.00 0.00 -2.33 0.00 0.00 43.42 41.37 1x68 n LEU 45 CO 0.69 0.57 1.07 -0.69 -1.33 0.00 0.00 177.39 177.69 1x68 s VAL 46 N -1.83 2.28 0.00 4.08 1.01 -1.26 -3.62 120.40 121.06 1x68 s VAL 46 Ca 0.32 0.27 0.00 0.00 0.00 0.00 0.00 61.98 62.57 1x68 s VAL 46 Cb 0.21 -3.17 0.00 0.00 0.00 0.00 0.00 36.38 33.42 1x68 s VAL 46 CO 0.31 0.06 0.00 0.61 0.00 0.00 0.00 175.10 176.08 1x68 n GLY 47 N 0.58 1.55 3.59 4.51 0.00 -1.26 -4.93 105.19 109.24 1x68 n GLY 47 Ca 0.02 -0.02 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 0.16 0.55 1.61 -2.85 -1.24 -5.01 119.74 112.95 1x68 s LYS 48 Ca 0.00 1.14 -0.14 0.00 -1.00 0.00 0.00 55.97 55.97 1x68 s LYS 48 Cb 0.00 -1.66 -0.06 0.00 -2.06 0.00 0.00 37.83 34.05 1x68 s LYS 48 CO 0.00 -3.09 0.99 0.20 0.10 0.00 0.00 175.35 173.55 1x68 s GLY 49 N -2.69 1.91 0.20 0.59 0.00 -1.26 -4.97 107.32 101.10 1x68 s GLY 49 Ca 0.67 0.07 -0.00 0.00 0.00 0.00 0.00 44.72 45.46 1x68 s GLY 49 CO 0.61 0.34 0.09 -0.11 0.00 0.00 0.00 173.10 174.03 1x68 s PHE 50 N -2.81 1.21 0.26 1.90 -0.12 -1.26 -4.52 117.98 112.64 1x68 s PHE 50 Ca 0.57 -1.26 0.10 0.00 -0.05 0.00 0.00 56.93 56.29 1x68 s PHE 50 Cb -0.10 -0.65 -0.05 0.00 -0.63 0.00 0.00 43.02 41.59 1x68 s PHE 50 CO 0.39 -0.49 -0.16 -0.51 -0.05 0.00 0.00 175.22 174.41 1x68 s LEU 51 N -3.18 2.58 -0.17 -1.99 1.02 -0.39 -4.96 118.68 111.60 1x68 s LEU 51 Ca 0.34 -1.06 -0.00 0.00 0.02 0.00 0.00 54.13 53.43 1x68 s LEU 51 Cb 0.07 -0.91 0.04 0.00 0.02 0.00 0.00 46.19 45.41 1x68 s LEU 51 CO 0.10 -0.09 -0.08 0.42 0.02 0.00 0.00 176.35 176.72 1x68 s THR 52 N -2.71 1.29 0.01 5.49 -4.23 -1.26 -1.32 115.64 112.90 1x68 s THR 52 Ca 0.28 -0.71 -0.05 0.00 -1.18 0.00 0.00 61.69 60.03 1x68 s THR 52 Cb -0.02 -1.40 -0.01 0.00 1.34 0.00 0.00 72.50 72.41 1x68 s THR 52 CO 0.12 0.19 0.08 -1.58 -0.54 0.00 0.00 174.62 172.89 1x68 s GLN 53 N 1.56 0.45 -1.15 3.99 0.74 -1.16 -4.91 119.66 119.17 1x68 s GLN 53 Ca 0.01 -0.51 0.00 0.00 0.05 0.00 0.00 55.36 54.91 1x68 s GLN 53 Cb -0.15 0.18 0.00 0.00 1.10 0.00 0.00 33.01 34.14 1x68 s GLN 53 CO -0.08 -0.10 0.00 0.09 -0.55 0.00 0.00 175.29 174.65 1x68 n ASN 54 N 1.40 -3.47 0.00 6.67 4.13 -1.26 -0.85 115.26 121.89 1x68 n ASN 54 Ca -0.23 0.25 0.00 0.00 1.68 0.00 0.00 54.58 56.29 1x68 n ASN 54 Cb 0.56 -3.12 0.00 0.00 -1.54 0.00 0.00 39.78 35.68 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 -2.27 -0.62 -3.49 3.52 5.02 -1.26 -5.02 118.16 114.04 1x68 n LYS 55 Ca -0.13 0.16 -0.22 0.00 -2.02 0.00 0.00 58.31 56.09 1x68 n LYS 55 Cb 0.49 -3.62 -0.00 0.00 -0.02 0.00 0.00 35.03 31.88 1x68 n LYS 55 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1x68 n GLU 56 N -1.76 0.83 -4.66 1.97 1.02 -0.03 -5.15 120.64 112.87 1x68 n GLU 56 Ca 0.00 -2.86 -0.29 0.00 -0.02 0.00 0.00 57.16 53.99 1x68 n GLU 56 Cb 0.16 0.35 -0.17 0.00 -0.02 0.00 0.00 31.44 31.76 1x68 n GLU 56 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 1x68 s ILE 57 N -2.27 1.64 0.21 -3.67 -4.36 -1.26 -2.99 121.20 108.49 1x68 s ILE 57 Ca 0.23 -0.74 0.05 0.00 -0.26 0.00 0.00 60.65 59.93 1x68 s ILE 57 Cb -0.02 -1.47 -0.05 0.00 1.25 0.00 0.00 42.46 42.18 1x68 s ILE 57 CO 0.15 0.47 -0.05 -0.36 0.24 0.00 0.00 174.94 175.39 1x68 s PHE 58 N 0.78 1.53 0.43 1.37 0.08 -0.43 -1.37 117.98 120.36 1x68 s PHE 58 Ca -0.10 -0.82 -0.08 0.00 0.12 0.00 0.00 56.93 56.05 1x68 s PHE 58 Cb -0.16 -0.84 -0.05 0.00 -0.57 0.00 0.00 43.02 41.40 1x68 s PHE 58 CO 0.01 0.07 0.76 0.00 -0.10 0.00 0.00 175.22 175.96 1x68 h GLN 60 N 0.85 0.34 -0.95 0.00 -0.00 -1.90 -0.40 115.11 113.07 1x68 h GLN 60 Ca -0.47 -0.02 0.18 0.00 -0.00 0.00 0.00 58.65 58.34 1x68 h GLN 60 Cb 1.19 -0.08 -0.08 0.00 0.00 0.00 0.00 27.48 28.52 1x68 h GLN 60 CO 0.63 0.23 0.60 -0.22 0.00 0.00 0.00 178.83 180.07 1x68 h LYS 61 N 0.35 0.61 0.13 1.69 1.63 -1.97 0.21 116.57 119.21 1x68 h LYS 61 Ca 0.17 -0.04 -0.30 0.00 -0.85 0.00 0.00 60.65 59.64 1x68 h LYS 61 Cb 0.11 -0.14 -0.00 0.00 -0.60 0.00 0.00 32.23 31.61 1x68 h LYS 61 CO -0.15 0.40 -1.44 0.00 -3.45 0.00 0.00 179.45 174.82 1x68 n GLY 63 N 1.62 4.93 3.77 0.00 0.00 -0.23 -4.99 105.19 110.29 1x68 n GLY 63 Ca -0.14 -1.48 -0.40 0.00 0.00 0.00 0.00 46.02 44.00 1x68 n GLY 63 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x68 s SER 64 N -1.45 6.46 0.00 1.61 1.04 0.59 -4.82 113.70 117.14 1x68 s SER 64 Ca 0.59 2.75 0.00 0.00 0.48 0.00 0.00 55.95 59.77 1x68 s SER 64 Cb 0.48 -2.65 0.00 0.00 0.10 0.00 0.00 66.02 63.96 1x68 s SER 64 CO 0.07 -0.75 0.00 0.61 0.98 0.00 0.00 173.24 174.14 1x68 n GLY 65 N 0.67 0.89 0.09 7.32 0.00 -1.26 -4.83 105.19 108.08 1x68 n GLY 65 Ca 0.02 -2.20 -0.04 0.00 0.00 0.00 0.00 46.02 43.80 1x68 n GLY 65 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1x68 h MET 66 N 0.00 0.00 -4.83 1.61 2.86 -2.01 -3.48 114.93 109.08 1x68 h MET 66 Ca 0.00 0.00 -0.35 0.00 -2.06 0.00 0.00 59.70 57.29 1x68 h MET 66 Cb 0.00 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.62 1x68 h MET 66 CO 0.00 0.46 -0.50 -3.47 1.06 0.00 0.00 176.91 174.46 1x68 n ASP 67 N -3.03 -4.23 -3.18 1.22 2.03 -1.26 -4.91 116.55 103.19 1x68 n ASP 67 Ca -0.10 -0.22 -0.08 0.00 0.52 0.00 0.00 54.79 54.91 1x68 n ASP 67 Cb 0.92 -3.50 0.01 0.00 -0.72 0.00 0.00 41.12 37.83 1x68 n ASP 67 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1x68 s THR 68 N -2.90 0.00 -1.20 5.18 -1.32 -1.26 -5.00 115.64 109.14 1x68 s THR 68 Ca 0.27 -0.98 -0.02 0.00 -1.21 0.00 0.00 61.69 59.75 1x68 s THR 68 Cb -0.14 -2.65 0.02 0.00 -1.51 0.00 0.00 72.50 68.22 1x68 s THR 68 CO 0.34 0.00 0.05 -0.90 -2.21 0.00 0.00 174.62 171.90 1x68 n ASP 69 N -1.16 0.47 0.29 8.08 5.75 -1.26 -4.81 116.55 123.91 1x68 n ASP 69 Ca -0.07 -0.96 0.19 0.00 -0.01 0.00 0.00 54.79 53.94 1x68 n ASP 69 Cb 0.60 -1.20 0.99 0.00 -1.03 0.00 0.00 41.12 40.48 1x68 n ASP 69 CO 0.00 0.00 0.00 0.40 -0.11 0.00 0.00 177.20 177.49 1x68 h ILE 70 N -1.04 0.00 -2.01 2.12 5.03 -2.00 -3.39 117.51 116.22 1x68 h ILE 70 Ca -0.49 -0.09 0.03 0.00 -0.12 0.00 0.00 64.86 64.19 1x68 h ILE 70 Cb 1.05 0.97 -0.22 0.00 -3.03 0.00 0.00 36.82 35.59 1x68 h ILE 70 CO 0.55 0.00 -0.21 -0.44 -0.68 0.00 0.00 178.15 177.37 1x68 s SER 71 N -4.96 -0.91 0.46 1.72 0.01 -1.26 -5.17 113.70 103.58 1x68 s SER 71 Ca -0.03 1.32 0.06 0.00 1.31 0.00 0.00 55.95 58.61 1x68 s SER 71 Cb 0.11 2.02 -0.02 0.00 0.21 0.00 0.00 66.02 68.34 1x68 s SER 71 CO 0.39 -0.23 0.24 -0.83 0.41 0.00 0.00 173.24 173.21 1x68 s GLY 72 N 2.81 2.41 0.00 3.44 0.00 -1.26 -5.03 107.32 109.70 1x68 s GLY 72 Ca -0.01 -1.66 -0.02 0.00 0.00 0.00 0.00 44.72 43.02 1x68 s GLY 72 CO -0.18 -1.94 2.39 -1.55 0.00 0.00 0.00 173.10 171.83 1x68 n PRO 73 N -1.41 1.25 -3.82 2.90 -0.04 -1.26 -4.68 135.00 127.95 1x68 n PRO 73 Ca -0.03 -0.34 -0.28 0.00 -0.04 0.00 0.00 63.50 62.81 1x68 n PRO 73 Cb 0.65 -1.39 0.04 0.00 -0.04 0.00 0.00 33.50 32.75 1x68 n PRO 73 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1x68 n SER 74 N 1.93 -4.48 -0.29 3.54 7.64 -1.26 -4.89 113.62 115.80 1x68 n SER 74 Ca 0.15 -0.74 0.20 0.00 1.01 0.00 0.00 58.87 59.49 1x68 n SER 74 Cb 0.60 -4.13 0.49 0.00 -1.01 0.00 0.00 64.21 60.15 1x68 n SER 74 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1x68 h SER 75 N -2.16 0.47 0.00 6.43 0.02 -2.02 -3.57 113.55 112.72 1x68 h SER 75 Ca -0.58 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.43 1x68 h SER 75 Cb 1.37 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.90 1x68 h SER 75 CO 0.63 0.15 0.00 0.61 -1.14 0.00 0.00 176.83 177.08