#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 -0.13 -0.47 1.61 0.01 -1.26 -4.92 113.70 108.53 1x68 s SER 2 Ca 0.00 0.60 0.05 0.00 1.31 0.00 0.00 55.95 57.92 1x68 s SER 2 Cb 0.00 0.56 0.19 0.00 0.21 0.00 0.00 66.02 66.99 1x68 s SER 2 CO 0.00 -0.19 0.44 -0.24 0.41 0.00 0.00 173.24 173.66 1x68 n SER 3 N 4.57 0.58 0.00 2.44 2.88 -1.26 -4.73 113.62 118.11 1x68 n SER 3 Ca -0.19 -2.67 0.00 0.00 -1.33 0.00 0.00 58.87 54.68 1x68 n SER 3 Cb 0.52 -0.62 0.00 0.00 -0.75 0.00 0.00 64.21 63.37 1x68 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x68 n GLY 4 N 2.20 -0.36 3.05 0.46 0.00 -1.26 -5.14 105.19 104.15 1x68 n GLY 4 Ca 0.26 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.19 1x68 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x68 s SER 5 N -0.02 0.50 0.00 1.61 0.15 -1.26 -5.06 113.70 109.62 1x68 s SER 5 Ca 0.00 -0.76 0.00 0.00 0.70 0.00 0.00 55.95 55.89 1x68 s SER 5 Cb 0.00 0.13 0.00 0.00 -1.71 0.00 0.00 66.02 64.44 1x68 s SER 5 CO 0.00 -0.43 0.00 -1.54 1.20 0.00 0.00 173.24 172.47 1x68 n SER 6 N 0.82 0.00 0.00 5.45 3.41 -1.26 -4.83 113.62 117.21 1x68 n SER 6 Ca -0.19 -0.11 0.00 0.00 -0.26 0.00 0.00 58.87 58.32 1x68 n SER 6 Cb 0.58 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.53 1x68 n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x68 n GLY 7 N 0.00 4.65 3.66 5.00 0.00 -1.25 -4.90 105.19 112.34 1x68 n GLY 7 Ca 0.00 -1.81 -0.48 0.00 0.00 0.00 0.00 46.02 43.72 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 4.00 0.27 -0.36 0.00 2.07 -1.83 0.36 116.25 120.75 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 1.28 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.62 1x68 h VAL 9 CO 0.88 0.00 0.00 0.00 0.02 0.00 0.00 177.57 178.47 1x68 n ALA 10 N -2.24 2.22 -0.63 1.67 0.00 -1.26 -4.71 120.51 115.55 1x68 n ALA 10 Ca 0.07 -1.12 0.00 0.00 0.00 0.00 0.00 53.44 52.39 1x68 n ALA 10 Cb 0.68 -0.48 0.00 0.00 0.00 0.00 0.00 19.45 19.64 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 -1.67 -4.78 0.00 3.41 0.11 -4.85 113.62 105.84 1x68 n SER 12 Ca 0.00 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.25 1x68 n SER 12 Cb 0.00 -2.66 -0.02 0.00 -0.26 0.00 0.00 64.21 61.27 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 -1.23 3.78 -0.28 4.33 1.02 -1.26 -3.87 119.74 122.24 1x68 s LYS 13 Ca 0.00 1.60 -0.29 0.00 0.02 0.00 0.00 55.97 57.30 1x68 s LYS 13 Cb 0.00 -2.30 -0.01 0.00 -0.52 0.00 0.00 37.83 34.99 1x68 s LYS 13 CO 0.00 -0.49 1.54 -1.25 -0.92 0.00 0.00 175.35 174.23 1x68 s PRO 14 N -2.87 3.74 0.56 -1.68 0.04 -1.26 -2.12 135.00 131.41 1x68 s PRO 14 Ca 0.65 1.44 -0.19 0.00 0.04 0.00 0.00 61.00 62.94 1x68 s PRO 14 Cb -0.24 -4.02 -0.05 0.00 0.04 0.00 0.00 34.50 30.23 1x68 s PRO 14 CO 0.29 -1.36 1.17 0.42 0.04 0.00 0.00 177.00 177.55 1x68 s ILE 15 N 5.25 2.91 -0.86 0.56 1.01 -1.26 -4.89 121.20 123.92 1x68 s ILE 15 Ca 0.68 0.57 0.00 0.00 0.00 0.00 0.00 60.65 61.90 1x68 s ILE 15 Cb -0.21 -3.23 0.00 0.00 0.01 0.00 0.00 42.46 39.03 1x68 s ILE 15 CO 0.29 -0.12 0.24 -0.24 0.00 0.00 0.00 174.94 175.11 1x68 n SER 16 N -1.41 0.54 -0.69 3.58 2.88 -1.26 -4.95 113.62 112.31 1x68 n SER 16 Ca 0.12 -0.85 0.06 0.00 -1.33 0.00 0.00 58.87 56.88 1x68 n SER 16 Cb 0.50 -0.21 -0.02 0.00 -0.75 0.00 0.00 64.21 63.74 1x68 n SER 16 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x68 n GLY 17 N 0.36 -1.81 0.29 0.46 0.00 -1.26 -3.95 105.19 99.27 1x68 n GLY 17 Ca 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.75 1x68 n GLY 17 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1x68 n LEU 18 N 0.00 0.37 0.00 0.99 -0.00 -1.26 -4.18 117.00 112.92 1x68 n LEU 18 Ca 0.00 -0.18 0.06 0.00 -0.00 0.00 0.00 56.01 55.89 1x68 n LEU 18 Cb 0.21 -0.18 0.33 0.00 -0.00 0.00 0.00 43.42 43.77 1x68 n LEU 18 CO 0.00 0.09 0.55 0.41 -0.00 0.00 0.00 177.39 178.44 1x68 n THR 19 N -0.10 0.02 0.00 1.47 -1.04 -1.25 -4.71 114.28 108.66 1x68 n THR 19 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1x68 n THR 19 Cb 0.09 -0.83 0.00 0.00 -1.82 0.00 0.00 70.33 67.77 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 1.42 3.76 3.41 0.00 -1.26 -5.11 105.19 107.10 1x68 n GLY 20 Ca 0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 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 2.93 -0.56 4.61 0.00 -1.26 -4.93 121.76 120.55 1x68 s ALA 21 Ca 0.00 1.15 -0.28 0.00 0.00 0.00 0.00 51.96 52.83 1x68 s ALA 21 Cb 0.00 -3.48 0.02 0.00 0.00 0.00 0.00 23.12 19.67 1x68 s ALA 21 CO 0.00 -1.01 1.26 0.21 0.00 0.00 0.00 175.76 176.23 1x68 s LYS 22 N -2.76 3.47 0.20 0.00 2.20 -1.26 -4.97 119.74 116.62 1x68 s LYS 22 Ca 0.67 0.36 0.01 0.00 -0.36 0.00 0.00 55.97 56.65 1x68 s LYS 22 Cb -0.35 -4.04 -0.05 0.00 -1.51 0.00 0.00 37.83 31.88 1x68 s LYS 22 CO 0.42 -1.74 0.05 -0.59 -0.36 0.00 0.00 175.35 173.13 1x68 s PHE 23 N 5.27 1.29 0.09 4.03 -0.12 -1.26 -3.20 117.98 124.07 1x68 s PHE 23 Ca 0.47 -1.11 0.10 0.00 -0.05 0.00 0.00 56.93 56.34 1x68 s PHE 23 Cb -0.09 -0.73 -0.03 0.00 -0.63 0.00 0.00 43.02 41.53 1x68 s PHE 23 CO 0.26 -0.30 -0.27 0.42 -0.05 0.00 0.00 175.22 175.28 1x68 s ILE 24 N -3.75 2.20 -0.12 -4.49 -1.09 0.32 -4.86 121.20 109.41 1x68 s ILE 24 Ca 0.29 -1.59 -0.01 0.00 -2.23 0.00 0.00 60.65 57.12 1x68 s ILE 24 Cb 0.07 -1.92 0.03 0.00 -1.58 0.00 0.00 42.46 39.06 1x68 s ILE 24 CO 0.07 0.22 -0.03 0.00 -1.23 0.00 0.00 174.94 173.97 1x68 s PHE 26 N 1.79 -0.24 -1.59 0.00 5.36 -1.16 -4.91 117.98 117.24 1x68 s PHE 26 Ca 0.03 0.58 -0.13 0.00 -0.96 0.00 0.00 56.93 56.46 1x68 s PHE 26 Cb -0.14 0.07 0.10 0.00 -0.34 0.00 0.00 43.02 42.72 1x68 s PHE 26 CO -0.07 -0.12 0.74 1.04 -1.46 0.00 0.00 175.22 175.34 1x68 n GLN 27 N 3.13 -3.71 -0.66 10.12 1.13 -1.26 -0.79 117.38 125.34 1x68 n GLN 27 Ca -0.14 0.43 0.00 0.00 -1.94 0.00 0.00 57.00 55.35 1x68 n GLN 27 Cb 0.58 -5.04 0.00 0.00 0.11 0.00 0.00 30.24 25.89 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 -2.78 -1.40 -4.91 1.08 8.00 -1.26 -3.49 116.55 111.78 1x68 n ASP 28 Ca -0.03 0.00 -0.28 0.00 0.71 0.00 0.00 54.79 55.19 1x68 n ASP 28 Cb 0.55 -2.50 0.04 0.00 -0.02 0.00 0.00 41.12 39.19 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 -2.07 5.53 -0.16 -2.24 0.01 0.03 -4.64 113.70 110.16 1x68 s SER 29 Ca 0.00 0.83 0.00 0.00 1.31 0.00 0.00 55.95 58.10 1x68 s SER 29 Cb 0.00 -1.76 0.03 0.00 0.21 0.00 0.00 66.02 64.50 1x68 s SER 29 CO 0.00 -1.16 -0.11 0.00 0.41 0.00 0.00 173.24 172.38 1x68 s GLN 30 N -5.11 2.02 -0.04 12.44 0.00 -1.26 -2.97 119.66 124.73 1x68 s GLN 30 Ca 0.55 -0.60 0.06 0.00 -0.00 0.00 0.00 55.36 55.38 1x68 s GLN 30 Cb -0.11 -2.12 -0.01 0.00 0.00 0.00 0.00 33.01 30.77 1x68 s GLN 30 CO 0.47 -0.32 -0.24 -1.58 0.00 0.00 0.00 175.29 173.62 1x68 s TRP 31 N 1.51 2.32 0.54 9.60 0.51 -0.85 -2.23 118.94 130.33 1x68 s TRP 31 Ca 0.03 -0.61 -0.15 0.00 -2.12 0.00 0.00 56.10 53.24 1x68 s TRP 31 Cb -0.14 -1.52 -0.07 0.00 -0.81 0.00 0.00 33.47 30.94 1x68 s TRP 31 CO -0.09 -0.16 1.00 -1.01 -0.51 0.00 0.00 176.95 176.18 1x68 s HIS 32 N -0.28 3.42 0.18 -1.98 3.76 -1.26 -0.52 115.29 118.61 1x68 s HIS 32 Ca 0.00 1.44 -0.14 0.00 -0.15 0.00 0.00 55.06 56.22 1x68 s HIS 32 Cb -0.12 -2.81 0.12 0.00 1.11 0.00 0.00 32.58 30.88 1x68 s HIS 32 CO 0.02 -0.52 1.78 1.03 -0.85 0.00 0.00 174.74 176.20 1x68 h SER 33 N 0.62 0.34 0.04 1.40 0.87 -1.88 -0.83 113.55 114.11 1x68 h SER 33 Ca -0.46 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.13 1x68 h SER 33 Cb 1.19 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.11 1x68 h SER 33 CO 0.61 0.24 0.00 -1.84 -0.53 0.00 0.00 176.83 175.31 1x68 n GLU 34 N -4.90 0.28 0.00 2.24 -0.00 -1.26 -2.52 120.64 114.48 1x68 n GLU 34 Ca 0.04 0.04 0.00 0.00 -0.00 0.00 0.00 57.16 57.24 1x68 n GLU 34 Cb 0.13 -1.50 0.00 0.00 -0.00 0.00 0.00 31.44 30.07 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 -0.43 2.77 0.32 0.00 5.36 -0.48 -4.85 117.98 120.67 1x68 s PHE 36 Ca 0.00 -0.65 -0.05 0.00 -0.96 0.00 0.00 56.93 55.27 1x68 s PHE 36 Cb 0.00 -4.20 0.00 0.00 -0.34 0.00 0.00 43.02 38.49 1x68 s PHE 36 CO 0.00 -1.53 0.48 0.54 -1.46 0.00 0.00 175.22 173.25 1x68 s ASN 37 N 3.62 0.64 -0.04 6.13 2.20 -1.26 -2.65 114.94 123.58 1x68 s ASN 37 Ca 0.19 -1.36 -0.30 0.00 -0.94 0.00 0.00 52.86 50.46 1x68 s ASN 37 Cb -0.19 0.65 -0.06 0.00 -2.00 0.00 0.00 41.25 39.65 1x68 s ASN 37 CO 0.09 -1.27 1.72 0.00 -2.94 0.00 0.00 177.10 174.70 1x68 n GLY 39 N 4.23 -0.56 0.03 0.00 0.00 -1.26 0.34 105.19 107.96 1x68 n GLY 39 Ca 0.18 0.03 0.03 0.00 0.00 0.00 0.00 46.02 46.26 1x68 n GLY 39 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1x68 n LYS 40 N -1.63 0.89 0.00 1.61 5.02 -1.26 -4.84 118.16 117.96 1x68 n LYS 40 Ca -0.00 -0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.19 1x68 n LYS 40 Cb 0.01 -1.36 0.00 0.00 -0.02 0.00 0.00 35.03 33.65 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 -4.26 -4.74 0.00 7.64 0.15 -4.91 113.62 107.51 1x68 n SER 42 Ca 0.00 0.13 -0.41 0.00 1.01 0.00 0.00 58.87 59.60 1x68 n SER 42 Cb 0.17 -2.22 -0.04 0.00 -1.01 0.00 0.00 64.21 61.11 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 -1.99 3.69 0.36 0.44 0.11 -1.26 -4.47 120.40 117.28 1x68 s VAL 43 Ca 0.00 1.42 -0.28 0.00 -2.93 0.00 0.00 61.98 60.18 1x68 s VAL 43 Cb 0.00 -3.90 -0.12 0.00 -1.53 0.00 0.00 36.38 30.83 1x68 s VAL 43 CO 0.00 0.22 1.41 -0.24 -3.33 0.00 0.00 175.10 173.16 1x68 n SER 44 N 2.58 3.36 -0.50 3.54 2.88 -1.26 -0.36 113.62 123.86 1x68 n SER 44 Ca 0.04 1.21 0.05 0.00 -1.33 0.00 0.00 58.87 58.85 1x68 n SER 44 Cb 0.45 -1.56 0.08 0.00 -0.75 0.00 0.00 64.21 62.43 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 0.70 2.25 -4.68 2.46 4.77 -1.08 -4.83 117.00 116.59 1x68 n LEU 45 Ca 0.03 -1.35 -0.42 0.00 -0.03 0.00 0.00 56.01 54.24 1x68 n LEU 45 Cb 0.37 -0.08 -0.03 0.00 -2.33 0.00 0.00 43.42 41.36 1x68 n LEU 45 CO 0.63 0.49 1.43 -0.69 -1.33 0.00 0.00 177.39 177.92 1x68 s VAL 46 N -0.93 3.06 -0.86 4.08 1.01 -1.26 -1.91 120.40 123.58 1x68 s VAL 46 Ca 0.16 0.34 0.00 0.00 0.00 0.00 0.00 61.98 62.48 1x68 s VAL 46 Cb 0.10 -3.22 0.00 0.00 0.00 0.00 0.00 36.38 33.26 1x68 s VAL 46 CO 0.14 -0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.84 1x68 n GLY 47 N 4.20 0.02 2.99 4.51 0.00 -1.26 -5.03 105.19 110.62 1x68 n GLY 47 Ca 0.17 -0.47 -0.09 0.00 0.00 0.00 0.00 46.02 45.63 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 -4.41 0.33 -0.47 1.61 1.02 -0.80 -5.12 119.74 111.89 1x68 s LYS 48 Ca 0.00 -0.64 -0.28 0.00 0.02 0.00 0.00 55.97 55.06 1x68 s LYS 48 Cb 0.00 0.09 0.01 0.00 -0.52 0.00 0.00 37.83 37.42 1x68 s LYS 48 CO 0.00 -0.05 1.37 0.20 -0.92 0.00 0.00 175.35 175.95 1x68 s GLY 49 N -1.53 1.06 0.45 -3.33 0.00 -1.26 -4.96 107.32 97.75 1x68 s GLY 49 Ca -0.15 -0.39 0.08 0.00 0.00 0.00 0.00 44.72 44.27 1x68 s GLY 49 CO -0.01 2.72 0.53 -0.11 0.00 0.00 0.00 173.10 176.23 1x68 s PHE 50 N 5.49 2.49 0.23 1.90 -0.12 -1.26 -4.12 117.98 122.58 1x68 s PHE 50 Ca 0.56 -0.51 0.05 0.00 -0.05 0.00 0.00 56.93 56.98 1x68 s PHE 50 Cb -0.11 -2.26 -0.05 0.00 -0.63 0.00 0.00 43.02 39.97 1x68 s PHE 50 CO 0.30 -0.44 -0.05 -0.51 -0.05 0.00 0.00 175.22 174.46 1x68 s LEU 51 N -4.32 2.38 -0.10 -1.99 1.02 -0.62 -4.94 118.68 110.10 1x68 s LEU 51 Ca 0.53 -1.15 -0.02 0.00 0.02 0.00 0.00 54.13 53.51 1x68 s LEU 51 Cb -0.07 -0.44 0.04 0.00 0.02 0.00 0.00 46.19 45.74 1x68 s LEU 51 CO 0.32 -0.39 0.01 0.42 0.02 0.00 0.00 176.35 176.73 1x68 s THR 52 N -3.23 0.40 0.05 5.49 -4.23 -1.26 -0.53 115.64 112.32 1x68 s THR 52 Ca 0.26 -0.05 -0.05 0.00 -1.18 0.00 0.00 61.69 60.67 1x68 s THR 52 Cb 0.04 -0.65 -0.01 0.00 1.34 0.00 0.00 72.50 73.21 1x68 s THR 52 CO 0.08 0.14 0.09 -1.58 -0.54 0.00 0.00 174.62 172.81 1x68 s GLN 53 N 1.95 0.63 -1.59 3.99 0.74 -0.85 -4.90 119.66 119.63 1x68 s GLN 53 Ca 0.04 -0.86 0.00 0.00 0.05 0.00 0.00 55.36 54.59 1x68 s GLN 53 Cb -0.13 0.25 0.00 0.00 1.10 0.00 0.00 33.01 34.22 1x68 s GLN 53 CO -0.06 -0.16 0.00 0.09 -0.55 0.00 0.00 175.29 174.61 1x68 n ASN 54 N 0.53 -5.24 -0.78 6.67 5.03 -1.26 -1.18 115.26 119.03 1x68 n ASN 54 Ca -0.18 0.09 -0.10 0.00 0.87 0.00 0.00 54.58 55.26 1x68 n ASN 54 Cb 0.60 -4.41 -0.04 0.00 -1.02 0.00 0.00 39.78 34.90 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 -2.88 -1.32 -4.75 3.52 4.76 -1.26 -4.98 118.16 111.25 1x68 n LYS 55 Ca -0.21 0.82 -0.33 0.00 -2.87 0.00 0.00 58.31 55.72 1x68 n LYS 55 Cb 0.66 -5.01 -0.08 0.00 -1.84 0.00 0.00 35.03 28.76 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 -2.69 2.18 0.11 1.97 0.41 -0.33 -5.17 118.70 115.18 1x68 s GLU 56 Ca 0.00 -2.39 0.08 0.00 -0.41 0.00 0.00 54.97 52.26 1x68 s GLU 56 Cb 0.00 -1.53 -0.04 0.00 -1.78 0.00 0.00 34.13 30.78 1x68 s GLU 56 CO 0.00 -0.35 -0.17 0.96 -0.49 0.00 0.00 175.26 175.22 1x68 s ILE 57 N -2.87 2.94 0.05 -1.63 -4.36 -1.26 -2.02 121.20 112.04 1x68 s ILE 57 Ca 0.07 -1.43 -0.08 0.00 -0.26 0.00 0.00 60.65 58.95 1x68 s ILE 57 Cb 0.02 -2.34 -0.00 0.00 1.25 0.00 0.00 42.46 41.38 1x68 s ILE 57 CO 0.04 0.12 0.16 -0.36 0.24 0.00 0.00 174.94 175.14 1x68 s PHE 58 N -1.14 0.12 0.64 1.37 0.08 0.30 -4.28 117.98 115.07 1x68 s PHE 58 Ca 0.18 -0.40 -0.14 0.00 0.12 0.00 0.00 56.93 56.69 1x68 s PHE 58 Cb -0.11 -0.07 -0.01 0.00 -0.57 0.00 0.00 43.02 42.26 1x68 s PHE 58 CO 0.10 -0.43 1.07 0.00 -0.10 0.00 0.00 175.22 175.86 1x68 h GLN 60 N -0.03 -0.07 -0.22 0.00 1.08 -1.93 -0.39 115.11 113.55 1x68 h GLN 60 Ca -0.46 0.00 0.07 0.00 -1.45 0.00 0.00 58.65 56.81 1x68 h GLN 60 Cb 1.22 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.66 1x68 h GLN 60 CO 0.56 -0.05 0.28 -0.22 -0.95 0.00 0.00 178.83 178.45 1x68 h LYS 61 N -0.07 0.00 0.00 1.46 1.63 -1.94 0.12 116.57 117.77 1x68 h LYS 61 Ca 0.06 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.86 1x68 h LYS 61 Cb 0.16 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.79 1x68 h LYS 61 CO -0.14 0.00 -1.47 0.00 -3.45 0.00 0.00 179.45 174.39 1x68 n GLY 63 N 1.31 -1.04 3.24 0.00 0.00 0.01 -4.92 105.19 103.80 1x68 n GLY 63 Ca -0.01 -0.49 -0.60 0.00 0.00 0.00 0.00 46.02 44.93 1x68 n GLY 63 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x68 n SER 64 N -2.32 0.76 0.00 1.61 7.64 0.20 -4.80 113.62 116.71 1x68 n SER 64 Ca -0.04 0.69 0.00 0.00 1.01 0.00 0.00 58.87 60.52 1x68 n SER 64 Cb 0.58 -0.89 0.00 0.00 -1.01 0.00 0.00 64.21 62.89 1x68 n SER 64 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x68 n GLY 65 N 7.37 -1.69 3.64 0.23 0.00 -1.26 -5.09 105.19 108.40 1x68 n GLY 65 Ca 0.54 -1.09 -0.08 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.54 0.67 -0.05 1.61 0.23 -1.26 -5.05 119.30 113.90 1x68 s MET 66 Ca 0.00 1.04 0.08 0.00 -1.03 0.00 0.00 55.69 55.77 1x68 s MET 66 Cb 0.00 0.19 0.12 0.00 -1.53 0.00 0.00 34.83 33.61 1x68 s MET 66 CO 0.00 -0.12 1.01 -0.25 -2.03 0.00 0.00 175.02 173.63 1x68 n ASP 67 N 3.71 1.76 -0.08 -1.18 8.00 -1.26 -4.74 116.55 122.77 1x68 n ASP 67 Ca -0.18 -2.34 0.10 0.00 0.71 0.00 0.00 54.79 53.07 1x68 n ASP 67 Cb 0.58 -0.19 0.47 0.00 -0.02 0.00 0.00 41.12 41.95 1x68 n ASP 67 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 1x68 h THR 68 N 0.94 0.95 -2.55 -3.53 1.35 -2.04 -3.45 112.91 104.58 1x68 h THR 68 Ca 0.00 -0.17 0.14 0.00 -0.55 0.00 0.00 66.41 65.84 1x68 h THR 68 Cb 0.83 0.43 -0.04 0.00 -1.73 0.00 0.00 68.15 67.64 1x68 h THR 68 CO 0.00 0.09 0.52 -0.62 -0.25 0.00 0.00 175.52 175.26 1x68 s ASP 69 N -6.33 -0.03 0.00 5.36 2.15 -1.26 -5.07 116.67 111.48 1x68 s ASP 69 Ca -0.08 -0.68 0.00 0.00 0.43 0.00 0.00 52.55 52.22 1x68 s ASP 69 Cb 0.19 0.54 0.00 0.00 -0.30 0.00 0.00 42.92 43.36 1x68 s ASP 69 CO 0.75 -1.07 0.00 -0.38 -0.17 0.00 0.00 175.17 174.30 1x68 n ILE 70 N -0.63 0.00 -0.58 4.11 5.41 -1.26 -5.00 119.36 121.40 1x68 n ILE 70 Ca -0.04 0.00 -0.29 0.00 1.00 0.00 0.00 62.75 63.42 1x68 n ILE 70 Cb 0.60 -0.49 0.23 0.00 -0.71 0.00 0.00 39.64 39.27 1x68 n ILE 70 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 1x68 s SER 71 N -4.03 1.42 0.55 4.38 0.01 -1.26 -5.07 113.70 109.70 1x68 s SER 71 Ca 0.00 1.68 0.07 0.00 1.31 0.00 0.00 55.95 59.01 1x68 s SER 71 Cb 0.00 -2.37 0.07 0.00 0.21 0.00 0.00 66.02 63.93 1x68 s SER 71 CO 0.00 -3.95 0.76 -0.83 0.41 0.00 0.00 173.24 169.63 1x68 s GLY 72 N -2.56 1.80 0.00 3.44 0.00 -1.26 -4.99 107.32 103.76 1x68 s GLY 72 Ca 0.68 -1.89 0.00 0.00 0.00 0.00 0.00 44.72 43.51 1x68 s GLY 72 CO 0.63 -1.50 0.58 -1.55 0.00 0.00 0.00 173.10 171.26 1x68 n PRO 73 N -2.23 0.61 -3.74 2.90 -0.04 -1.26 -4.59 135.00 126.66 1x68 n PRO 73 Ca 0.13 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.47 1x68 n PRO 73 Cb 0.61 -1.03 -0.13 0.00 -0.04 0.00 0.00 33.50 32.91 1x68 n PRO 73 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1x68 s SER 74 N -1.29 -0.29 -0.09 3.54 1.04 -1.26 -5.15 113.70 110.20 1x68 s SER 74 Ca 0.00 0.56 -0.06 0.00 0.48 0.00 0.00 55.95 56.92 1x68 s SER 74 Cb 0.00 0.46 0.03 0.00 0.10 0.00 0.00 66.02 66.61 1x68 s SER 74 CO 0.00 -0.15 0.22 -0.55 0.98 0.00 0.00 173.24 173.74 1x68 s SER 75 N 1.05 -0.23 0.00 7.02 0.15 -1.26 -5.12 113.70 115.31 1x68 s SER 75 Ca -0.08 0.46 0.00 0.00 0.70 0.00 0.00 55.95 57.04 1x68 s SER 75 Cb -0.09 0.41 0.00 0.00 -1.71 0.00 0.00 66.02 64.64 1x68 s SER 75 CO -0.07 -0.11 0.00 0.61 1.20 0.00 0.00 173.24 174.86