#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 6.44 0.28 1.61 0.01 -1.26 -4.91 113.70 115.87 1x68 s SER 2 Ca 0.00 2.75 -0.29 0.00 1.31 0.00 0.00 55.95 59.72 1x68 s SER 2 Cb 0.00 -2.57 -0.14 0.00 0.21 0.00 0.00 66.02 63.52 1x68 s SER 2 CO 0.00 -0.98 1.17 -1.20 0.41 0.00 0.00 173.24 172.64 1x68 n SER 3 N 5.29 1.94 -4.64 2.44 7.64 -1.26 -4.86 113.62 120.16 1x68 n SER 3 Ca 0.17 1.18 -0.42 0.00 1.01 0.00 0.00 58.87 60.80 1x68 n SER 3 Cb 0.38 -1.36 -0.03 0.00 -1.01 0.00 0.00 64.21 62.19 1x68 n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x68 s GLY 4 N -0.29 1.26 0.43 0.23 0.00 -1.26 -4.90 107.32 102.79 1x68 s GLY 4 Ca 0.61 0.87 0.11 0.00 0.00 0.00 0.00 44.72 46.30 1x68 s GLY 4 CO 0.58 3.25 2.01 0.23 0.00 0.00 0.00 173.10 179.17 1x68 h SER 5 N 11.00 0.22 -5.36 1.64 0.87 -1.90 -3.46 113.55 116.56 1x68 h SER 5 Ca -0.40 -0.03 0.20 0.00 -1.23 0.00 0.00 61.79 60.33 1x68 h SER 5 Cb 1.19 -0.06 -0.09 0.00 -0.44 0.00 0.00 62.40 63.01 1x68 h SER 5 CO 0.97 0.27 0.55 -0.55 -0.53 0.00 0.00 176.83 177.54 1x68 s SER 6 N -6.89 -0.17 0.00 6.23 0.15 -1.26 -5.18 113.70 106.59 1x68 s SER 6 Ca -0.06 -0.33 0.00 0.00 0.70 0.00 0.00 55.95 56.26 1x68 s SER 6 Cb 0.16 0.42 0.00 0.00 -1.71 0.00 0.00 66.02 64.89 1x68 s SER 6 CO 0.72 -0.77 0.00 0.61 1.20 0.00 0.00 173.24 174.99 1x68 n GLY 7 N -0.46 -1.91 3.63 9.45 0.00 -1.26 -4.38 105.19 110.27 1x68 n GLY 7 Ca -0.07 -1.55 -0.53 0.00 0.00 0.00 0.00 46.02 43.87 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 5.81 0.55 -0.01 0.00 2.07 -1.90 0.63 116.25 123.40 1x68 h VAL 9 Ca -0.41 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.11 1x68 h VAL 9 Cb 1.31 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 31.83 1x68 h VAL 9 CO 0.98 0.00 -0.16 0.00 0.02 0.00 0.00 177.57 178.40 1x68 n ALA 10 N -2.45 2.89 -0.62 1.67 0.00 -1.26 -4.51 120.51 116.23 1x68 n ALA 10 Ca 0.06 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.12 1x68 n ALA 10 Cb 0.51 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.77 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 -5.94 -4.80 0.00 7.64 0.20 -4.91 113.62 105.81 1x68 n SER 12 Ca 0.00 0.02 -0.33 0.00 1.01 0.00 0.00 58.87 59.56 1x68 n SER 12 Cb 0.00 -3.50 -0.03 0.00 -1.01 0.00 0.00 64.21 59.67 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 -2.03 3.73 0.32 1.43 1.02 -1.26 -4.38 119.74 118.58 1x68 s LYS 13 Ca 0.00 1.27 -0.29 0.00 0.02 0.00 0.00 55.97 56.97 1x68 s LYS 13 Cb 0.00 -2.09 -0.10 0.00 -0.52 0.00 0.00 37.83 35.12 1x68 s LYS 13 CO 0.00 -0.47 1.32 -1.25 -0.92 0.00 0.00 175.35 174.02 1x68 s PRO 14 N -3.51 4.35 0.23 -1.68 0.04 -1.26 -2.59 135.00 130.58 1x68 s PRO 14 Ca 0.65 2.21 0.11 0.00 0.04 0.00 0.00 61.00 64.02 1x68 s PRO 14 Cb -0.15 -3.08 -0.05 0.00 0.04 0.00 0.00 34.50 31.27 1x68 s PRO 14 CO 0.24 -0.20 -0.19 0.42 0.04 0.00 0.00 177.00 177.31 1x68 s ILE 15 N -1.01 2.59 -1.13 0.56 1.01 -1.26 -4.96 121.20 117.00 1x68 s ILE 15 Ca 0.50 -2.11 0.22 0.00 0.00 0.00 0.00 60.65 59.26 1x68 s ILE 15 Cb -0.40 -2.30 -0.16 0.00 0.01 0.00 0.00 42.46 39.62 1x68 s ILE 15 CO 0.52 -0.23 1.02 -1.20 0.00 0.00 0.00 174.94 175.04 1x68 n SER 16 N -0.16 1.03 0.00 3.58 7.64 -1.26 -5.04 113.62 119.41 1x68 n SER 16 Ca -0.09 -0.93 0.00 0.00 1.01 0.00 0.00 58.87 58.86 1x68 n SER 16 Cb 0.58 0.80 0.00 0.00 -1.01 0.00 0.00 64.21 64.58 1x68 n SER 16 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x68 n GLY 17 N 1.49 3.22 0.21 0.23 0.00 -1.26 -1.99 105.19 107.08 1x68 n GLY 17 Ca 0.05 0.18 0.09 0.00 0.00 0.00 0.00 46.02 46.34 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 0.00 0.00 0.99 3.38 -1.96 -0.30 115.31 117.42 1x68 h LEU 18 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1x68 h LEU 18 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1x68 h LEU 18 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 178.44 178.94 1x68 n THR 19 N -2.29 1.17 0.00 0.22 -1.04 -0.84 -4.75 114.28 106.74 1x68 n THR 19 Ca -0.01 0.29 0.00 0.00 -2.04 0.00 0.00 64.05 62.29 1x68 n THR 19 Cb 0.30 -1.12 0.00 0.00 -1.82 0.00 0.00 70.33 67.69 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 -0.45 1.97 3.79 3.41 0.00 -0.70 -5.11 105.19 108.10 1x68 n GLY 20 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 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 3.06 -1.19 4.61 0.00 -0.21 -4.96 121.76 121.07 1x68 s ALA 21 Ca 0.00 0.61 -0.16 0.00 0.00 0.00 0.00 51.96 52.41 1x68 s ALA 21 Cb 0.00 -3.24 0.13 0.00 0.00 0.00 0.00 23.12 20.01 1x68 s ALA 21 CO 0.00 -0.12 1.49 0.21 0.00 0.00 0.00 175.76 177.34 1x68 s LYS 22 N -2.66 3.97 0.22 0.00 2.36 -1.26 -4.85 119.74 117.51 1x68 s LYS 22 Ca 0.59 -2.20 0.04 0.00 -2.55 0.00 0.00 55.97 51.85 1x68 s LYS 22 Cb -0.18 -5.21 -0.05 0.00 -1.05 0.00 0.00 37.83 31.33 1x68 s LYS 22 CO 0.23 -1.95 -0.02 -0.59 1.55 0.00 0.00 175.35 174.57 1x68 s PHE 23 N 2.76 1.54 -0.21 4.03 -0.71 -1.26 -1.27 117.98 122.86 1x68 s PHE 23 Ca 0.45 -0.88 -0.01 0.00 -1.04 0.00 0.00 56.93 55.45 1x68 s PHE 23 Cb -0.01 -0.87 0.01 0.00 -1.21 0.00 0.00 43.02 40.94 1x68 s PHE 23 CO 0.01 0.00 -0.12 0.42 -1.34 0.00 0.00 175.22 174.19 1x68 s ILE 24 N -3.38 2.65 -0.58 -4.49 -1.09 0.92 -4.86 121.20 110.37 1x68 s ILE 24 Ca 0.27 -0.85 -0.21 0.00 -2.23 0.00 0.00 60.65 57.62 1x68 s ILE 24 Cb 0.05 -2.21 0.06 0.00 -1.58 0.00 0.00 42.46 38.78 1x68 s ILE 24 CO 0.08 0.41 0.83 0.00 -1.23 0.00 0.00 174.94 175.02 1x68 s PHE 26 N 3.43 0.62 -1.48 0.00 5.36 -0.79 -4.83 117.98 120.29 1x68 s PHE 26 Ca 0.21 -0.15 -0.07 0.00 -0.96 0.00 0.00 56.93 55.96 1x68 s PHE 26 Cb -0.18 -0.64 0.06 0.00 -0.34 0.00 0.00 43.02 41.92 1x68 s PHE 26 CO 0.12 -0.21 0.69 1.04 -1.46 0.00 0.00 175.22 175.40 1x68 n GLN 27 N 4.35 -4.13 0.00 10.12 1.13 -1.26 -1.64 117.38 125.95 1x68 n GLN 27 Ca -0.21 0.49 0.00 0.00 -1.94 0.00 0.00 57.00 55.34 1x68 n GLN 27 Cb 0.50 -5.01 0.00 0.00 0.11 0.00 0.00 30.24 25.84 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 -2.89 0.00 -4.78 1.08 8.00 -1.26 -4.98 116.55 111.71 1x68 n ASP 28 Ca -0.14 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.06 1x68 n ASP 28 Cb 0.60 -0.38 0.10 0.00 -0.02 0.00 0.00 41.12 41.43 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 -1.49 4.29 -0.24 -2.24 0.01 -0.65 -5.05 113.70 108.33 1x68 s SER 29 Ca 0.00 1.37 -0.00 0.00 1.31 0.00 0.00 55.95 58.63 1x68 s SER 29 Cb 0.00 -2.10 0.07 0.00 0.21 0.00 0.00 66.02 64.20 1x68 s SER 29 CO 0.00 -2.11 0.00 -1.10 0.41 0.00 0.00 173.24 170.45 1x68 s GLN 30 N -5.09 1.18 -0.19 12.44 1.11 -1.26 -1.89 119.66 125.96 1x68 s GLN 30 Ca 0.61 -0.89 -0.05 0.00 0.01 0.00 0.00 55.36 55.04 1x68 s GLN 30 Cb -0.15 -2.39 -0.02 0.00 -1.01 0.00 0.00 33.01 29.44 1x68 s GLN 30 CO 0.55 -0.70 -0.01 -1.58 0.01 0.00 0.00 175.29 173.56 1x68 s TRP 31 N 1.54 3.02 0.65 0.91 0.51 -0.30 -4.12 118.94 121.15 1x68 s TRP 31 Ca -0.01 -0.47 -0.18 0.00 -2.12 0.00 0.00 56.10 53.33 1x68 s TRP 31 Cb -0.18 -2.05 -0.01 0.00 -0.81 0.00 0.00 33.47 30.42 1x68 s TRP 31 CO -0.10 -0.22 1.29 -1.01 -0.51 0.00 0.00 176.95 176.40 1x68 s HIS 32 N 0.88 2.09 0.24 -1.98 3.76 -1.26 -0.06 115.29 118.96 1x68 s HIS 32 Ca 0.00 1.49 -0.04 0.00 -0.15 0.00 0.00 55.06 56.35 1x68 s HIS 32 Cb -0.14 -3.69 0.39 0.00 1.11 0.00 0.00 32.58 30.25 1x68 s HIS 32 CO 0.02 -2.90 1.81 0.66 -0.85 0.00 0.00 174.74 173.48 1x68 h SER 33 N 0.54 0.68 0.20 1.40 4.64 -1.52 0.03 113.55 119.53 1x68 h SER 33 Ca -0.51 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1x68 h SER 33 Cb 1.34 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1x68 h SER 33 CO 0.53 0.39 0.00 -1.84 -0.87 0.00 0.00 176.83 175.04 1x68 n GLU 34 N -4.74 0.33 0.00 4.77 0.00 -1.26 -2.23 120.64 117.51 1x68 n GLU 34 Ca 0.13 0.09 0.01 0.00 0.00 0.00 0.00 57.16 57.39 1x68 n GLU 34 Cb 0.27 -1.50 0.01 0.00 0.00 0.00 0.00 31.44 30.21 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 -0.33 2.91 0.31 0.00 5.36 -0.66 -4.82 117.98 120.76 1x68 s PHE 36 Ca 0.02 -0.61 -0.11 0.00 -0.96 0.00 0.00 56.93 55.28 1x68 s PHE 36 Cb 0.02 -3.93 0.01 0.00 -0.34 0.00 0.00 43.02 38.78 1x68 s PHE 36 CO 0.03 -1.30 0.56 0.54 -1.46 0.00 0.00 175.22 173.59 1x68 s ASN 37 N 3.23 0.25 0.00 6.13 2.20 -1.26 -1.62 114.94 123.87 1x68 s ASN 37 Ca 0.17 -1.14 -0.30 0.00 -0.94 0.00 0.00 52.86 50.66 1x68 s ASN 37 Cb -0.19 0.68 -0.08 0.00 -2.00 0.00 0.00 41.25 39.66 1x68 s ASN 37 CO 0.11 -1.32 1.82 0.00 -2.94 0.00 0.00 177.10 174.76 1x68 n GLY 39 N 4.33 -0.73 0.01 0.00 0.00 -0.44 -0.31 105.19 108.05 1x68 n GLY 39 Ca 0.18 0.09 0.11 0.00 0.00 0.00 0.00 46.02 46.40 1x68 n GLY 39 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1x68 n LYS 40 N -1.86 0.63 0.00 1.61 4.81 -1.26 -4.78 118.16 117.31 1x68 n LYS 40 Ca -0.00 -0.19 0.00 0.00 -0.87 0.00 0.00 58.31 57.25 1x68 n LYS 40 Cb 0.04 -1.51 0.00 0.00 0.02 0.00 0.00 35.03 33.58 1x68 n LYS 40 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1x68 n SER 42 N 0.00 -0.35 -4.77 0.00 7.64 0.57 -4.96 113.62 111.76 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 -0.06 -0.02 0.00 -1.01 0.00 0.00 64.21 63.13 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 -3.66 2.56 0.24 0.44 0.11 -1.26 -4.54 120.40 114.29 1x68 s VAL 43 Ca 0.00 0.55 -0.31 0.00 -2.93 0.00 0.00 61.98 59.28 1x68 s VAL 43 Cb 0.00 -3.35 -0.13 0.00 -1.53 0.00 0.00 36.38 31.37 1x68 s VAL 43 CO 0.00 0.12 1.45 -1.20 -3.33 0.00 0.00 175.10 172.14 1x68 n SER 44 N 1.07 2.91 -0.12 3.54 7.64 -1.26 -1.45 113.62 125.95 1x68 n SER 44 Ca 0.02 1.14 0.01 0.00 1.01 0.00 0.00 58.87 61.04 1x68 n SER 44 Cb 0.41 -1.45 0.02 0.00 -1.01 0.00 0.00 64.21 62.18 1x68 n SER 44 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1x68 n LEU 45 N 2.30 1.68 -3.69 -3.43 4.77 -0.64 -4.84 117.00 113.14 1x68 n LEU 45 Ca 0.12 -1.47 -0.41 0.00 -0.03 0.00 0.00 56.01 54.22 1x68 n LEU 45 Cb 0.32 -0.02 -0.12 0.00 -2.33 0.00 0.00 43.42 41.27 1x68 n LEU 45 CO 0.63 0.41 1.70 0.52 -1.33 0.00 0.00 177.39 179.32 1x68 n VAL 46 N -0.06 0.00 0.00 4.08 0.31 -1.25 -1.01 118.33 120.40 1x68 n VAL 46 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 1x68 n VAL 46 Cb 0.17 -0.42 0.00 0.00 -0.91 0.00 0.00 33.84 32.68 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 5.78 1.84 3.68 2.92 0.00 -1.26 -4.99 105.19 113.16 1x68 n GLY 47 Ca 0.52 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.10 1x68 n GLY 47 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1x68 n LYS 48 N -0.81 2.04 -1.67 1.61 5.02 -0.18 -4.89 118.16 119.28 1x68 n LYS 48 Ca 0.00 0.72 -0.44 0.00 -2.02 0.00 0.00 58.31 56.57 1x68 n LYS 48 Cb 0.00 -2.31 -0.04 0.00 -0.02 0.00 0.00 35.03 32.66 1x68 n LYS 48 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1x68 n GLY 49 N 1.26 1.66 3.73 0.72 0.00 -1.26 -4.97 105.19 106.33 1x68 n GLY 49 Ca 0.07 0.80 -0.27 0.00 0.00 0.00 0.00 46.02 46.62 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 3.78 2.33 0.07 1.61 -0.12 -1.26 -4.82 117.98 119.56 1x68 s PHE 50 Ca 0.88 -0.71 0.05 0.00 -0.05 0.00 0.00 56.93 57.10 1x68 s PHE 50 Cb -0.54 -1.84 -0.04 0.00 -0.63 0.00 0.00 43.02 39.98 1x68 s PHE 50 CO 0.44 0.20 -0.06 -0.51 -0.05 0.00 0.00 175.22 175.23 1x68 s LEU 51 N -3.89 3.21 -0.16 -1.99 1.02 -0.34 -5.00 118.68 111.54 1x68 s LEU 51 Ca 0.32 -0.25 0.00 0.00 0.02 0.00 0.00 54.13 54.22 1x68 s LEU 51 Cb 0.04 -1.94 0.03 0.00 0.02 0.00 0.00 46.19 44.35 1x68 s LEU 51 CO 0.17 0.21 -0.10 0.42 0.02 0.00 0.00 176.35 177.08 1x68 s THR 52 N -1.18 1.38 -0.02 5.49 -4.23 -1.26 -1.15 115.64 114.66 1x68 s THR 52 Ca 0.21 -0.68 -0.04 0.00 -1.18 0.00 0.00 61.69 60.01 1x68 s THR 52 Cb -0.11 -1.42 0.00 0.00 1.34 0.00 0.00 72.50 72.31 1x68 s THR 52 CO 0.13 0.28 0.10 -1.58 -0.54 0.00 0.00 174.62 173.01 1x68 s GLN 53 N 1.54 0.25 -0.98 3.99 -0.44 -1.20 -4.89 119.66 117.93 1x68 s GLN 53 Ca 0.02 -0.09 0.00 0.00 -2.50 0.00 0.00 55.36 52.79 1x68 s GLN 53 Cb -0.14 0.11 0.00 0.00 -1.64 0.00 0.00 33.01 31.33 1x68 s GLN 53 CO -0.09 -0.05 0.00 0.09 0.50 0.00 0.00 175.29 175.75 1x68 n ASN 54 N 2.42 -3.54 -1.38 6.67 3.02 -1.26 -0.49 115.26 120.70 1x68 n ASN 54 Ca -0.17 0.23 -0.16 0.00 -0.03 0.00 0.00 54.58 54.46 1x68 n ASN 54 Cb 0.58 -3.06 -0.05 0.00 -0.61 0.00 0.00 39.78 36.63 1x68 n ASN 54 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1x68 n LYS 55 N -2.64 -1.15 -3.92 3.52 4.76 -1.26 -5.01 118.16 112.46 1x68 n LYS 55 Ca -0.13 0.98 -0.26 0.00 -2.87 0.00 0.00 58.31 56.03 1x68 n LYS 55 Cb 0.57 -5.21 -0.01 0.00 -1.84 0.00 0.00 35.03 28.54 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 -3.74 2.25 -0.10 1.97 2.02 0.36 -5.15 118.70 116.32 1x68 s GLU 56 Ca 0.00 -2.03 0.00 0.00 0.02 0.00 0.00 54.97 52.96 1x68 s GLU 56 Cb 0.00 -2.08 0.02 0.00 0.10 0.00 0.00 34.13 32.17 1x68 s GLU 56 CO 0.00 -0.61 -0.08 0.96 0.02 0.00 0.00 175.26 175.55 1x68 s ILE 57 N -2.78 1.00 0.10 -1.63 -4.36 -1.26 -3.22 121.20 109.06 1x68 s ILE 57 Ca 0.33 -0.31 0.05 0.00 -0.26 0.00 0.00 60.65 60.45 1x68 s ILE 57 Cb -0.02 -1.00 -0.04 0.00 1.25 0.00 0.00 42.46 42.65 1x68 s ILE 57 CO 0.20 0.35 -0.12 -0.36 0.24 0.00 0.00 174.94 175.26 1x68 s PHE 58 N 1.42 1.19 0.64 1.37 0.08 -0.30 -1.33 117.98 121.04 1x68 s PHE 58 Ca -0.01 -0.60 -0.08 0.00 0.12 0.00 0.00 56.93 56.36 1x68 s PHE 58 Cb -0.13 -0.64 0.01 0.00 -0.57 0.00 0.00 43.02 41.69 1x68 s PHE 58 CO -0.05 0.06 0.98 0.00 -0.10 0.00 0.00 175.22 176.11 1x68 h GLN 60 N -0.37 -0.56 -0.95 0.00 7.50 -1.94 0.18 115.11 118.97 1x68 h GLN 60 Ca -0.45 0.04 0.27 0.00 0.50 0.00 0.00 58.65 59.01 1x68 h GLN 60 Cb 1.25 0.13 -0.04 0.00 0.05 0.00 0.00 27.48 28.87 1x68 h GLN 60 CO 0.62 -0.37 0.68 0.87 -1.50 0.00 0.00 178.83 179.13 1x68 h LYS 61 N -0.58 0.01 0.01 1.46 1.79 -2.00 0.17 116.57 117.42 1x68 h LYS 61 Ca -0.04 -0.00 -0.33 0.00 -2.18 0.00 0.00 60.65 58.10 1x68 h LYS 61 Cb 0.47 -0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 31.06 1x68 h LYS 61 CO 0.05 0.01 -1.99 0.00 -1.08 0.00 0.00 179.45 176.44 1x68 n GLY 63 N 1.66 2.06 0.37 0.00 0.00 0.01 -4.61 105.19 104.67 1x68 n GLY 63 Ca -0.24 -0.76 0.11 0.00 0.00 0.00 0.00 46.02 45.12 1x68 n GLY 63 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1x68 h SER 64 N 4.35 0.77 -5.30 1.61 0.02 -0.95 -3.45 113.55 110.59 1x68 h SER 64 Ca 0.00 0.06 -0.16 0.00 -0.84 0.00 0.00 61.79 60.84 1x68 h SER 64 Cb 0.98 -0.09 -0.05 0.00 0.14 0.00 0.00 62.40 63.38 1x68 h SER 64 CO 0.00 0.37 0.00 -0.83 -1.14 0.00 0.00 176.83 175.23 1x68 s GLY 65 N -3.63 1.00 0.28 -3.77 0.00 -1.26 -5.13 107.32 94.80 1x68 s GLY 65 Ca -0.11 -1.18 0.02 0.00 0.00 0.00 0.00 44.72 43.46 1x68 s GLY 65 CO 0.80 -0.70 0.07 -3.16 0.00 0.00 0.00 173.10 170.11 1x68 s MET 66 N -2.80 1.48 -0.38 2.90 0.23 -1.26 -5.06 119.30 114.41 1x68 s MET 66 Ca 0.24 -1.80 0.12 0.00 -1.03 0.00 0.00 55.69 53.21 1x68 s MET 66 Cb -0.02 -0.50 0.36 0.00 -1.53 0.00 0.00 34.83 33.14 1x68 s MET 66 CO 0.16 -0.24 0.83 -0.25 -2.03 0.00 0.00 175.02 173.49 1x68 n ASP 67 N -0.53 0.31 0.03 -1.18 8.00 -1.26 -4.95 116.55 116.97 1x68 n ASP 67 Ca -0.01 -3.09 0.11 0.00 0.71 0.00 0.00 54.79 52.52 1x68 n ASP 67 Cb 0.66 -0.16 0.47 0.00 -0.02 0.00 0.00 41.12 42.08 1x68 n ASP 67 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1x68 n THR 68 N 0.24 0.51 -1.10 -3.53 -2.24 -1.26 -4.83 114.28 102.06 1x68 n THR 68 Ca 0.20 0.06 -0.30 0.00 -2.27 0.00 0.00 64.05 61.74 1x68 n THR 68 Cb 0.69 -0.75 0.14 0.00 -2.10 0.00 0.00 70.33 68.30 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 -3.40 3.47 -1.21 3.42 2.15 -1.26 -3.78 116.67 116.07 1x68 s ASP 69 Ca 0.10 1.66 -0.08 0.00 0.43 0.00 0.00 52.55 54.67 1x68 s ASP 69 Cb 0.14 -2.32 -0.02 0.00 -0.30 0.00 0.00 42.92 40.43 1x68 s ASP 69 CO 0.44 -2.67 0.76 -0.38 -0.17 0.00 0.00 175.17 173.15 1x68 n ILE 70 N -3.92 -5.72 -2.08 4.11 5.41 -1.26 -4.84 119.36 111.07 1x68 n ILE 70 Ca 0.08 -0.80 -0.31 0.00 1.00 0.00 0.00 62.75 62.72 1x68 n ILE 70 Cb 0.54 -4.42 -0.04 0.00 -0.71 0.00 0.00 39.64 35.01 1x68 n ILE 70 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 1x68 s SER 71 N -3.91 5.27 0.00 4.38 0.15 -1.25 -4.44 113.70 113.91 1x68 s SER 71 Ca 0.23 -0.47 0.00 0.00 0.70 0.00 0.00 55.95 56.41 1x68 s SER 71 Cb -0.06 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.69 1x68 s SER 71 CO 0.82 -2.57 0.00 0.61 1.20 0.00 0.00 173.24 173.30 1x68 n GLY 72 N 6.55 -3.14 1.94 9.45 0.00 -1.26 -4.78 105.19 113.95 1x68 n GLY 72 Ca 0.34 -0.62 -0.07 0.00 0.00 0.00 0.00 46.02 45.67 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 0.05 1.40 -3.86 1.61 -0.04 -1.26 -4.69 135.00 128.21 1x68 n PRO 73 Ca 0.00 -0.58 -0.12 0.00 -0.04 0.00 0.00 63.50 62.76 1x68 n PRO 73 Cb 0.00 -1.67 -0.12 0.00 -0.04 0.00 0.00 33.50 31.67 1x68 n PRO 73 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1x68 s SER 74 N 2.13 -0.05 -1.00 3.54 0.01 -1.26 -5.11 113.70 111.96 1x68 s SER 74 Ca 0.39 0.07 -0.16 0.00 1.31 0.00 0.00 55.95 57.55 1x68 s SER 74 Cb 0.18 0.19 0.16 0.00 0.21 0.00 0.00 66.02 66.77 1x68 s SER 74 CO 0.00 -0.11 1.17 -0.44 0.41 0.00 0.00 173.24 174.27 1x68 s SER 75 N -0.31 6.79 0.00 2.44 0.01 -1.26 -5.05 113.70 116.32 1x68 s SER 75 Ca -0.04 -2.43 0.00 0.00 1.31 0.00 0.00 55.95 54.79 1x68 s SER 75 Cb -0.03 -2.37 0.00 0.00 0.21 0.00 0.00 66.02 63.83 1x68 s SER 75 CO 0.00 -0.89 0.00 0.61 0.41 0.00 0.00 173.24 173.37