#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x68 n SER 2 N 0.00 0.00 -4.55 1.61 3.41 -1.26 -4.60 113.62 108.22 1x68 n SER 2 Ca 0.00 0.10 -0.33 0.00 -0.26 0.00 0.00 58.87 58.38 1x68 n SER 2 Cb 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 1x68 n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1x68 s SER 3 N -1.36 5.20 0.05 4.04 1.04 -1.26 -4.90 113.70 116.52 1x68 s SER 3 Ca 0.00 -0.12 -0.07 0.00 0.48 0.00 0.00 55.95 56.25 1x68 s SER 3 Cb 0.00 -2.54 -0.01 0.00 0.10 0.00 0.00 66.02 63.57 1x68 s SER 3 CO 0.00 -2.56 0.13 -0.83 0.98 0.00 0.00 173.24 170.96 1x68 s GLY 4 N 8.13 0.15 -0.63 7.32 0.00 -1.26 -5.12 107.32 115.90 1x68 s GLY 4 Ca 0.69 -0.58 -0.25 0.00 0.00 0.00 0.00 44.72 44.58 1x68 s GLY 4 CO 0.11 -0.74 1.07 -1.35 0.00 0.00 0.00 173.10 172.19 1x68 s SER 5 N -2.41 6.26 0.72 1.64 1.04 -1.26 -5.02 113.70 114.67 1x68 s SER 5 Ca -0.01 -0.48 -0.16 0.00 0.48 0.00 0.00 55.95 55.78 1x68 s SER 5 Cb 0.02 -2.48 0.00 0.00 0.10 0.00 0.00 66.02 63.66 1x68 s SER 5 CO -0.07 -1.48 0.93 -1.20 0.98 0.00 0.00 173.24 172.41 1x68 n SER 6 N 8.16 0.35 -2.92 7.02 7.64 -1.26 -4.91 113.62 127.70 1x68 n SER 6 Ca 0.02 0.66 -0.11 0.00 1.01 0.00 0.00 58.87 60.44 1x68 n SER 6 Cb 0.47 -1.39 0.00 0.00 -1.01 0.00 0.00 64.21 62.29 1x68 n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x68 s GLY 7 N -1.62 0.87 -0.05 0.23 0.00 -1.26 -4.41 107.32 101.08 1x68 s GLY 7 Ca 0.73 -1.10 -0.29 0.00 0.00 0.00 0.00 44.72 44.06 1x68 s GLY 7 CO 0.51 -0.59 1.99 0.00 0.00 0.00 0.00 173.10 175.00 1x68 h VAL 9 N 6.04 0.62 0.00 0.00 2.07 -1.74 0.53 116.25 123.77 1x68 h VAL 9 Ca -0.46 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.05 1x68 h VAL 9 Cb 1.23 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 1x68 h VAL 9 CO 0.95 0.01 -0.11 0.00 0.02 0.00 0.00 177.57 178.44 1x68 n ALA 10 N -2.67 2.50 0.00 1.67 0.00 -1.26 -4.33 120.51 116.41 1x68 n ALA 10 Ca 0.16 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1x68 n ALA 10 Cb 0.82 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.87 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 -0.03 -3.84 -4.28 0.00 7.64 0.17 -4.95 113.62 108.32 1x68 n SER 12 Ca 0.00 -0.90 -0.24 0.00 1.01 0.00 0.00 58.87 58.73 1x68 n SER 12 Cb 0.00 -3.88 -0.13 0.00 -1.01 0.00 0.00 64.21 59.19 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 -5.75 1.17 -0.23 1.43 1.02 -1.26 -4.87 119.74 111.25 1x68 s LYS 13 Ca 0.29 -1.13 -0.29 0.00 0.02 0.00 0.00 55.97 54.85 1x68 s LYS 13 Cb -0.08 -1.42 -0.02 0.00 -0.52 0.00 0.00 37.83 35.78 1x68 s LYS 13 CO 0.83 0.34 1.61 -1.25 -0.92 0.00 0.00 175.35 175.95 1x68 s PRO 14 N -1.80 3.78 0.26 -1.68 0.04 -1.26 -2.05 135.00 132.28 1x68 s PRO 14 Ca 0.07 1.64 -0.30 0.00 0.04 0.00 0.00 61.00 62.45 1x68 s PRO 14 Cb -0.10 -4.03 -0.09 0.00 0.04 0.00 0.00 34.50 30.32 1x68 s PRO 14 CO 0.04 -1.31 1.13 0.42 0.04 0.00 0.00 177.00 177.32 1x68 s ILE 15 N 5.22 3.49 0.60 0.56 1.01 -1.26 -4.98 121.20 125.84 1x68 s ILE 15 Ca 0.71 1.44 -0.18 0.00 0.00 0.00 0.00 60.65 62.61 1x68 s ILE 15 Cb -0.24 -3.91 -0.03 0.00 0.01 0.00 0.00 42.46 38.28 1x68 s ILE 15 CO 0.29 0.31 1.19 -0.44 0.00 0.00 0.00 174.94 176.29 1x68 s SER 16 N -0.61 5.17 0.06 3.58 0.01 -1.26 -5.05 113.70 115.60 1x68 s SER 16 Ca 0.47 2.32 0.07 0.00 1.31 0.00 0.00 55.95 60.11 1x68 s SER 16 Cb -0.32 -2.59 -0.04 0.00 0.21 0.00 0.00 66.02 63.28 1x68 s SER 16 CO 0.40 -1.60 -0.14 -0.83 0.41 0.00 0.00 173.24 171.48 1x68 s GLY 17 N -1.75 1.68 -1.52 3.44 0.00 -1.26 -4.76 107.32 103.14 1x68 s GLY 17 Ca 0.75 -1.20 -0.03 0.00 0.00 0.00 0.00 44.72 44.25 1x68 s GLY 17 CO 0.34 -1.12 0.06 1.04 0.00 0.00 0.00 173.10 173.43 1x68 n LEU 18 N 1.24 -0.91 -0.05 0.66 4.32 -1.26 -4.84 117.00 116.15 1x68 n LEU 18 Ca -0.15 -1.22 0.01 0.00 -0.02 0.00 0.00 56.01 54.62 1x68 n LEU 18 Cb 0.52 -1.53 0.01 0.00 -1.62 0.00 0.00 43.42 40.81 1x68 n LEU 18 CO 0.29 0.41 0.39 1.07 -1.22 0.00 0.00 177.39 178.33 1x68 n THR 19 N -4.38 0.63 -1.08 -5.08 5.66 -1.26 -4.99 114.28 103.77 1x68 n THR 19 Ca -0.27 -0.67 -0.03 0.00 -3.05 0.00 0.00 64.05 60.04 1x68 n THR 19 Cb 0.64 0.61 -0.01 0.00 -1.55 0.00 0.00 70.33 70.02 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 -0.36 0.60 3.61 1.09 0.00 -1.26 -4.97 105.19 103.90 1x68 n GLY 20 Ca 0.02 -0.71 -0.43 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.07 2.94 -0.90 4.61 0.00 -1.26 -4.89 121.76 120.20 1x68 s ALA 21 Ca 0.00 0.35 -0.21 0.00 0.00 0.00 0.00 51.96 52.10 1x68 s ALA 21 Cb 0.00 -3.99 -0.12 0.00 0.00 0.00 0.00 23.12 19.01 1x68 s ALA 21 CO 0.00 -2.51 1.96 0.36 0.00 0.00 0.00 175.76 175.57 1x68 n LYS 22 N 8.32 1.70 -2.25 0.00 2.85 -1.26 -4.92 118.16 122.60 1x68 n LYS 22 Ca 0.23 -2.02 -0.27 0.00 -1.05 0.00 0.00 58.31 55.20 1x68 n LYS 22 Cb 0.46 -3.05 0.04 0.00 -0.65 0.00 0.00 35.03 31.84 1x68 n LYS 22 CO 0.00 0.00 0.00 -0.59 -0.05 0.00 0.00 177.40 176.76 1x68 s PHE 23 N 5.33 3.24 0.10 5.58 -0.12 -1.26 -3.64 117.98 127.20 1x68 s PHE 23 Ca 0.57 0.73 0.05 0.00 -0.05 0.00 0.00 56.93 58.23 1x68 s PHE 23 Cb 0.13 -2.87 -0.03 0.00 -0.63 0.00 0.00 43.02 39.61 1x68 s PHE 23 CO 0.10 -0.98 -0.14 0.42 -0.05 0.00 0.00 175.22 174.57 1x68 s ILE 24 N -3.11 1.21 -0.05 -4.49 1.01 -0.04 -4.94 121.20 110.80 1x68 s ILE 24 Ca 0.56 -1.56 0.02 0.00 0.00 0.00 0.00 60.65 59.67 1x68 s ILE 24 Cb -0.11 -1.35 0.01 0.00 0.01 0.00 0.00 42.46 41.03 1x68 s ILE 24 CO 0.47 -0.36 -0.09 0.00 0.00 0.00 0.00 174.94 174.97 1x68 s PHE 26 N 0.60 -0.28 -1.50 0.00 5.36 -0.32 -4.91 117.98 116.93 1x68 s PHE 26 Ca -0.10 0.68 -0.15 0.00 -0.96 0.00 0.00 56.93 56.40 1x68 s PHE 26 Cb -0.13 0.07 0.12 0.00 -0.34 0.00 0.00 43.02 42.74 1x68 s PHE 26 CO 0.02 -0.16 0.68 1.04 -1.46 0.00 0.00 175.22 175.33 1x68 n GLN 27 N 3.43 -3.46 -0.87 10.12 6.02 -1.26 -0.66 117.38 130.71 1x68 n GLN 27 Ca -0.17 0.42 0.00 0.00 -0.01 0.00 0.00 57.00 57.24 1x68 n GLN 27 Cb 0.56 -5.16 0.00 0.00 1.02 0.00 0.00 30.24 26.67 1x68 n GLN 27 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1x68 n ASP 28 N -2.50 -3.35 -4.92 1.08 2.03 -1.26 -4.99 116.55 102.64 1x68 n ASP 28 Ca 0.04 0.00 -0.21 0.00 0.52 0.00 0.00 54.79 55.14 1x68 n ASP 28 Cb 0.51 -2.37 -0.03 0.00 -0.72 0.00 0.00 41.12 38.52 1x68 n ASP 28 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 1x68 s SER 29 N -2.10 5.98 0.03 1.67 0.01 0.17 -5.14 113.70 114.32 1x68 s SER 29 Ca 0.00 -0.09 0.04 0.00 1.31 0.00 0.00 55.95 57.21 1x68 s SER 29 Cb 0.00 -1.59 -0.02 0.00 0.21 0.00 0.00 66.02 64.62 1x68 s SER 29 CO 0.00 -0.12 -0.11 -1.10 0.41 0.00 0.00 173.24 172.31 1x68 s GLN 30 N -3.97 0.78 0.03 12.44 1.11 -1.26 -1.18 119.66 127.62 1x68 s GLN 30 Ca 0.35 -0.63 0.03 0.00 0.01 0.00 0.00 55.36 55.13 1x68 s GLN 30 Cb -0.09 -0.74 -0.02 0.00 -1.01 0.00 0.00 33.01 31.16 1x68 s GLN 30 CO 0.28 0.18 -0.10 -1.58 0.01 0.00 0.00 175.29 174.09 1x68 s TRP 31 N -0.76 0.85 0.56 0.91 0.51 -0.71 -1.86 118.94 118.45 1x68 s TRP 31 Ca -0.00 -0.32 -0.13 0.00 -2.12 0.00 0.00 56.10 53.54 1x68 s TRP 31 Cb -0.07 -0.52 -0.06 0.00 -0.81 0.00 0.00 33.47 32.02 1x68 s TRP 31 CO 0.01 -0.01 0.99 -1.01 -0.51 0.00 0.00 176.95 176.41 1x68 s HIS 32 N -0.77 3.55 0.15 -1.98 3.76 -1.26 -0.86 115.29 117.88 1x68 s HIS 32 Ca -0.02 1.32 -0.18 0.00 -0.15 0.00 0.00 55.06 56.04 1x68 s HIS 32 Cb -0.07 -2.71 0.06 0.00 1.11 0.00 0.00 32.58 30.97 1x68 s HIS 32 CO 0.00 -0.52 1.69 0.66 -0.85 0.00 0.00 174.74 175.72 1x68 h SER 33 N 0.24 -0.27 0.45 1.40 4.64 -1.92 -0.78 113.55 117.31 1x68 h SER 33 Ca -0.45 0.09 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 1x68 h SER 33 Cb 1.19 0.19 0.00 0.00 -0.31 0.00 0.00 62.40 63.47 1x68 h SER 33 CO 0.62 -0.09 0.00 -1.84 -0.87 0.00 0.00 176.83 174.65 1x68 n GLU 34 N -5.25 0.10 -0.10 4.77 0.00 -1.26 -2.24 120.64 116.66 1x68 n GLU 34 Ca 0.01 0.41 0.07 0.00 0.00 0.00 0.00 57.16 57.65 1x68 n GLU 34 Cb 0.19 -1.72 0.12 0.00 0.00 0.00 0.00 31.44 30.02 1x68 n GLU 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1x68 s PHE 36 N -1.07 3.29 0.22 0.00 5.36 -0.81 -4.77 117.98 120.19 1x68 s PHE 36 Ca 0.22 -1.41 -0.17 0.00 -0.96 0.00 0.00 56.93 54.61 1x68 s PHE 36 Cb 0.13 -3.74 0.02 0.00 -0.34 0.00 0.00 43.02 39.08 1x68 s PHE 36 CO 0.18 -1.02 0.53 0.54 -1.46 0.00 0.00 175.22 174.00 1x68 s ASN 37 N 3.41 -0.22 -0.01 6.13 2.20 -1.26 -2.49 114.94 122.71 1x68 s ASN 37 Ca 0.04 -0.60 -0.31 0.00 -0.94 0.00 0.00 52.86 51.05 1x68 s ASN 37 Cb -0.29 0.60 -0.10 0.00 -2.00 0.00 0.00 41.25 39.46 1x68 s ASN 37 CO 0.02 -1.10 1.96 0.00 -2.94 0.00 0.00 177.10 175.03 1x68 h GLY 39 N 10.31 0.00 0.80 0.00 0.00 -1.57 0.25 103.07 112.86 1x68 h GLY 39 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.84 1x68 h GLY 39 CO 0.94 0.00 -1.05 0.28 0.00 0.00 0.00 176.54 176.71 1x68 n LYS 40 N -3.10 0.46 0.00 4.80 5.02 -1.26 -4.72 118.16 119.36 1x68 n LYS 40 Ca -0.03 0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 1x68 n LYS 40 Cb 0.11 -1.70 0.00 0.00 -0.02 0.00 0.00 35.03 33.41 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 0.00 -0.44 -4.74 0.00 7.64 0.77 -4.94 113.62 111.91 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 0.13 -0.76 -0.03 0.00 -1.01 0.00 0.00 64.21 62.54 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 -3.01 2.85 0.52 0.44 0.11 -1.26 -4.53 120.40 115.52 1x68 s VAL 43 Ca 0.00 0.70 -0.22 0.00 -2.93 0.00 0.00 61.98 59.53 1x68 s VAL 43 Cb 0.00 -3.45 -0.06 0.00 -1.53 0.00 0.00 36.38 31.34 1x68 s VAL 43 CO 0.00 0.11 1.35 -0.24 -3.33 0.00 0.00 175.10 172.99 1x68 n SER 44 N 2.50 2.72 -0.10 3.54 2.88 -1.26 -1.14 113.62 122.76 1x68 n SER 44 Ca 0.07 1.00 0.01 0.00 -1.33 0.00 0.00 58.87 58.62 1x68 n SER 44 Cb 0.41 -1.57 0.02 0.00 -0.75 0.00 0.00 64.21 62.32 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 -0.77 1.63 -4.56 2.46 4.77 -1.04 -4.83 117.00 114.66 1x68 n LEU 45 Ca 0.09 -1.46 -0.25 0.00 -0.03 0.00 0.00 56.01 54.36 1x68 n LEU 45 Cb 0.44 -0.02 -0.05 0.00 -2.33 0.00 0.00 43.42 41.46 1x68 n LEU 45 CO 0.55 0.40 1.37 -0.69 -1.33 0.00 0.00 177.39 177.68 1x68 s VAL 46 N -0.55 3.31 0.00 4.08 1.01 -1.26 -3.16 120.40 123.82 1x68 s VAL 46 Ca 0.03 -0.20 0.00 0.00 0.00 0.00 0.00 61.98 61.81 1x68 s VAL 46 Cb 0.02 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.69 1x68 s VAL 46 CO 0.03 -0.67 0.00 0.61 0.00 0.00 0.00 175.10 175.07 1x68 n GLY 47 N 6.69 3.04 3.74 4.51 0.00 -1.26 -5.11 105.19 116.80 1x68 n GLY 47 Ca 0.40 -0.70 -0.37 0.00 0.00 0.00 0.00 46.02 45.34 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 2.90 -0.15 1.61 -2.85 -1.19 -4.89 119.74 115.18 1x68 s LYS 48 Ca 0.00 2.08 -0.29 0.00 -1.00 0.00 0.00 55.97 56.76 1x68 s LYS 48 Cb 0.00 -2.04 -0.05 0.00 -2.06 0.00 0.00 37.83 33.68 1x68 s LYS 48 CO 0.00 -1.33 1.88 0.20 0.10 0.00 0.00 175.35 176.20 1x68 s GLY 49 N -1.25 1.09 0.72 0.59 0.00 -1.26 -4.94 107.32 102.26 1x68 s GLY 49 Ca 0.77 0.79 -0.07 0.00 0.00 0.00 0.00 44.72 46.21 1x68 s GLY 49 CO 0.42 3.36 1.03 -0.11 0.00 0.00 0.00 173.10 177.79 1x68 s PHE 50 N 5.85 2.85 0.18 1.90 -0.12 -1.26 -4.60 117.98 122.78 1x68 s PHE 50 Ca 0.84 0.43 0.06 0.00 -0.05 0.00 0.00 56.93 58.21 1x68 s PHE 50 Cb -0.32 -3.23 -0.05 0.00 -0.63 0.00 0.00 43.02 38.79 1x68 s PHE 50 CO 0.34 -1.47 -0.10 -0.51 -0.05 0.00 0.00 175.22 173.43 1x68 s LEU 51 N -5.28 2.50 -0.24 -1.99 1.02 -1.09 -5.00 118.68 108.60 1x68 s LEU 51 Ca 0.61 -1.04 -0.04 0.00 0.02 0.00 0.00 54.13 53.68 1x68 s LEU 51 Cb -0.10 -0.46 0.08 0.00 0.02 0.00 0.00 46.19 45.73 1x68 s LEU 51 CO 0.45 -0.30 0.10 0.42 0.02 0.00 0.00 176.35 177.04 1x68 s THR 52 N -3.21 0.18 0.03 5.49 -4.23 -1.26 -3.09 115.64 109.55 1x68 s THR 52 Ca 0.20 -0.67 -0.02 0.00 -1.18 0.00 0.00 61.69 60.03 1x68 s THR 52 Cb 0.02 -0.99 -0.02 0.00 1.34 0.00 0.00 72.50 72.85 1x68 s THR 52 CO 0.04 -0.51 0.01 -1.58 -0.54 0.00 0.00 174.62 172.04 1x68 s GLN 53 N 1.99 0.46 -0.94 3.99 2.00 -1.15 -4.88 119.66 121.13 1x68 s GLN 53 Ca 0.05 -0.78 -0.03 0.00 -2.00 0.00 0.00 55.36 52.61 1x68 s GLN 53 Cb -0.16 0.17 0.02 0.00 0.80 0.00 0.00 33.01 33.84 1x68 s GLN 53 CO -0.22 -0.09 0.14 0.09 -0.50 0.00 0.00 175.29 174.70 1x68 n ASN 54 N 1.03 -3.31 -1.69 6.67 4.13 -1.26 -0.84 115.26 119.99 1x68 n ASN 54 Ca -0.20 0.08 -0.21 0.00 1.68 0.00 0.00 54.58 55.93 1x68 n ASN 54 Cb 0.57 -2.82 -0.08 0.00 -1.54 0.00 0.00 39.78 35.92 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 -3.01 -1.46 -4.58 3.52 4.76 -1.26 -4.98 118.16 111.14 1x68 n LYS 55 Ca -0.08 1.19 -0.27 0.00 -2.87 0.00 0.00 58.31 56.28 1x68 n LYS 55 Cb 0.57 -5.61 -0.09 0.00 -1.84 0.00 0.00 35.03 28.06 1x68 n LYS 55 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1x68 s GLU 56 N -3.94 1.93 -0.17 1.97 2.02 -0.02 -5.16 118.70 115.34 1x68 s GLU 56 Ca 0.00 -2.16 0.00 0.00 0.02 0.00 0.00 54.97 52.83 1x68 s GLU 56 Cb 0.00 -1.07 0.01 0.00 0.10 0.00 0.00 34.13 33.17 1x68 s GLU 56 CO 0.00 -0.31 -0.16 0.96 0.02 0.00 0.00 175.26 175.77 1x68 s ILE 57 N -3.07 2.50 0.04 -1.63 -4.36 -1.26 -2.93 121.20 110.48 1x68 s ILE 57 Ca 0.24 -0.81 0.03 0.00 -0.26 0.00 0.00 60.65 59.85 1x68 s ILE 57 Cb 0.05 -2.06 -0.02 0.00 1.25 0.00 0.00 42.46 41.67 1x68 s ILE 57 CO 0.12 0.51 -0.09 -0.36 0.24 0.00 0.00 174.94 175.37 1x68 s PHE 58 N 1.08 0.76 0.81 1.37 0.08 -1.18 -1.33 117.98 119.57 1x68 s PHE 58 Ca -0.00 -0.42 -0.11 0.00 0.12 0.00 0.00 56.93 56.51 1x68 s PHE 58 Cb -0.14 -0.45 0.08 0.00 -0.57 0.00 0.00 43.02 41.93 1x68 s PHE 58 CO -0.05 -0.04 1.09 0.00 -0.10 0.00 0.00 175.22 176.11 1x68 h GLN 60 N -1.20 -0.20 -0.65 0.00 4.20 -1.90 0.14 115.11 115.50 1x68 h GLN 60 Ca -0.46 0.01 0.10 0.00 0.06 0.00 0.00 58.65 58.36 1x68 h GLN 60 Cb 1.25 0.05 -0.08 0.00 0.30 0.00 0.00 27.48 29.00 1x68 h GLN 60 CO 0.55 -0.13 0.26 -0.22 -0.67 0.00 0.00 178.83 178.61 1x68 h LYS 61 N -0.21 0.43 0.62 1.46 3.11 -1.98 0.15 116.57 120.15 1x68 h LYS 61 Ca 0.17 -0.03 -0.03 0.00 -2.81 0.00 0.00 60.65 57.95 1x68 h LYS 61 Cb 0.47 -0.10 0.01 0.00 -1.00 0.00 0.00 32.23 31.61 1x68 h LYS 61 CO -0.46 0.28 -0.30 0.00 -2.81 0.00 0.00 179.45 176.17 1x68 n GLY 63 N -0.41 1.75 3.57 0.00 0.00 0.37 -4.86 105.19 105.61 1x68 n GLY 63 Ca -0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.52 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 0.99 5.20 -0.29 1.61 0.15 0.50 -4.87 113.70 116.99 1x68 s SER 64 Ca 0.00 1.05 -0.37 0.00 0.70 0.00 0.00 55.95 57.32 1x68 s SER 64 Cb 0.00 -2.52 -0.13 0.00 -1.71 0.00 0.00 66.02 61.66 1x68 s SER 64 CO 0.00 -2.30 1.98 0.61 1.20 0.00 0.00 173.24 174.74 1x68 n GLY 65 N 5.73 0.74 3.35 9.45 0.00 -1.26 -4.96 105.19 118.24 1x68 n GLY 65 Ca 0.27 0.93 -0.10 0.00 0.00 0.00 0.00 46.02 47.13 1x68 n GLY 65 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1x68 s MET 66 N 4.95 1.22 -0.49 1.61 0.00 -1.26 -5.13 119.30 120.20 1x68 s MET 66 Ca 1.04 -1.29 0.03 0.00 0.00 0.00 0.00 55.69 55.47 1x68 s MET 66 Cb -0.94 0.37 0.14 0.00 0.00 0.00 0.00 34.83 34.40 1x68 s MET 66 CO 0.56 -0.44 0.29 -0.51 0.00 0.00 0.00 175.02 174.92 1x68 s ASP 67 N -3.02 3.68 -1.47 -1.18 1.01 -1.26 -5.01 116.67 109.42 1x68 s ASP 67 Ca 0.22 -2.93 -0.14 0.00 0.71 0.00 0.00 52.55 50.42 1x68 s ASP 67 Cb 0.04 -1.14 0.03 0.00 1.01 0.00 0.00 42.92 42.85 1x68 s ASP 67 CO 0.04 -0.22 2.28 0.35 0.21 0.00 0.00 175.17 177.83 1x68 n THR 68 N 3.15 3.51 -3.57 -1.27 -2.24 -1.26 -4.74 114.28 107.86 1x68 n THR 68 Ca 0.12 -2.97 -0.28 0.00 -2.27 0.00 0.00 64.05 58.65 1x68 n THR 68 Cb 0.36 -2.61 -0.12 0.00 -2.10 0.00 0.00 70.33 65.86 1x68 n THR 68 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1x68 s ASP 69 N 3.13 2.88 0.14 3.42 1.01 -1.26 -4.97 116.67 121.01 1x68 s ASP 69 Ca 0.49 -2.89 -0.17 0.00 0.71 0.00 0.00 52.55 50.69 1x68 s ASP 69 Cb 0.14 -0.78 -0.02 0.00 1.01 0.00 0.00 42.92 43.28 1x68 s ASP 69 CO -0.09 -0.21 1.76 0.40 0.21 0.00 0.00 175.17 177.24 1x68 h ILE 70 N 4.84 1.12 0.00 0.77 1.08 -2.07 -3.38 117.51 119.88 1x68 h ILE 70 Ca 0.13 -0.30 0.00 0.00 -0.39 0.00 0.00 64.86 64.30 1x68 h ILE 70 Cb 0.90 0.70 0.00 0.00 -3.07 0.00 0.00 36.82 35.35 1x68 h ILE 70 CO 0.43 0.12 0.00 -0.24 -0.69 0.00 0.00 178.15 177.78 1x68 n SER 71 N -4.80 0.00 0.00 1.72 2.88 -1.26 -5.11 113.62 107.05 1x68 n SER 71 Ca -0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.53 1x68 n SER 71 Cb 0.06 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.52 1x68 n SER 71 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x68 n GLY 72 N 3.28 2.30 0.00 0.46 0.00 -1.26 -5.04 105.19 104.94 1x68 n GLY 72 Ca 0.00 0.32 0.15 0.00 0.00 0.00 0.00 46.02 46.49 1x68 n GLY 72 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x68 n PRO 73 N 0.00 0.54 -1.05 1.61 -0.04 -1.26 -4.91 135.00 129.89 1x68 n PRO 73 Ca 0.00 -0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.17 1x68 n PRO 73 Cb 0.00 -1.50 0.20 0.00 -0.04 0.00 0.00 33.50 32.16 1x68 n PRO 73 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x68 s SER 74 N -2.47 2.03 0.16 3.54 0.15 -1.26 -5.08 113.70 110.77 1x68 s SER 74 Ca 0.32 1.14 -0.13 0.00 0.70 0.00 0.00 55.95 57.98 1x68 s SER 74 Cb 0.21 -1.78 0.01 0.00 -1.71 0.00 0.00 66.02 62.75 1x68 s SER 74 CO 0.44 -3.50 0.39 -0.94 1.20 0.00 0.00 173.24 170.84 1x68 s SER 75 N -3.36 -0.12 0.00 5.45 1.04 -1.26 -5.27 113.70 110.19 1x68 s SER 75 Ca 0.67 -0.61 0.17 0.00 0.48 0.00 0.00 55.95 56.65 1x68 s SER 75 Cb -0.19 0.49 0.13 0.00 0.10 0.00 0.00 66.02 66.56 1x68 s SER 75 CO 0.59 -0.94 1.03 0.61 0.98 0.00 0.00 173.24 175.50