#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 -0.17 -0.37 1.61 0.01 -1.26 -5.13 113.70 108.39 1x68 s SER 2 Ca 0.00 -0.40 -0.03 0.00 1.31 0.00 0.00 55.95 56.82 1x68 s SER 2 Cb 0.00 0.46 0.08 0.00 0.21 0.00 0.00 66.02 66.77 1x68 s SER 2 CO 0.00 -0.85 0.14 -0.55 0.41 0.00 0.00 173.24 172.39 1x68 s SER 3 N -2.82 5.18 0.00 2.44 0.15 -1.26 -4.88 113.70 112.51 1x68 s SER 3 Ca 0.04 -1.70 0.00 0.00 0.70 0.00 0.00 55.95 55.00 1x68 s SER 3 Cb 0.02 -1.81 0.00 0.00 -1.71 0.00 0.00 66.02 62.52 1x68 s SER 3 CO -0.11 -0.44 0.00 0.61 1.20 0.00 0.00 173.24 174.50 1x68 n GLY 4 N 4.64 2.17 2.42 9.45 0.00 -1.26 -4.78 105.19 117.83 1x68 n GLY 4 Ca -0.07 0.09 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 1x68 n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x68 n SER 5 N 4.75 -3.73 -2.86 1.61 3.41 -1.26 -4.96 113.62 110.57 1x68 n SER 5 Ca 0.00 0.21 -0.11 0.00 -0.26 0.00 0.00 58.87 58.71 1x68 n SER 5 Cb 0.00 -3.20 0.09 0.00 -0.26 0.00 0.00 64.21 60.84 1x68 n SER 5 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1x68 n SER 6 N -1.72 -1.05 0.00 4.04 3.41 -1.26 -5.01 113.62 112.04 1x68 n SER 6 Ca -0.14 -0.86 0.00 0.00 -0.26 0.00 0.00 58.87 57.61 1x68 n SER 6 Cb 0.59 -0.39 0.00 0.00 -0.26 0.00 0.00 64.21 64.16 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 0.20 4.07 3.58 5.00 0.00 -1.26 -4.75 105.19 112.04 1x68 n GLY 7 Ca 0.06 -0.46 -0.41 0.00 0.00 0.00 0.00 46.02 45.21 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 6.96 0.60 -0.03 0.00 2.07 -1.91 0.58 116.25 124.52 1x68 h VAL 9 Ca -0.32 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.07 1x68 h VAL 9 Cb 1.19 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 1x68 h VAL 9 CO 1.07 0.07 0.00 0.00 0.02 0.00 0.00 177.57 178.73 1x68 n ALA 10 N -2.52 2.61 -0.46 1.67 0.00 -1.26 -4.42 120.51 116.14 1x68 n ALA 10 Ca 0.22 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1x68 n ALA 10 Cb 0.81 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.96 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 -1.89 -4.45 0.00 7.64 0.19 -4.99 113.62 110.13 1x68 n SER 12 Ca 0.00 -0.78 -0.29 0.00 1.01 0.00 0.00 58.87 58.81 1x68 n SER 12 Cb 0.00 -4.32 -0.12 0.00 -1.01 0.00 0.00 64.21 58.75 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 1.70 -0.12 1.43 -0.14 -1.26 -4.89 119.74 110.71 1x68 s LYS 13 Ca 0.05 -1.21 -0.29 0.00 -1.36 0.00 0.00 55.97 53.16 1x68 s LYS 13 Cb -0.01 -2.05 -0.02 0.00 -1.68 0.00 0.00 37.83 34.07 1x68 s LYS 13 CO 0.79 0.48 1.18 -1.25 -0.76 0.00 0.00 175.35 175.80 1x68 s PRO 14 N -1.99 4.30 0.66 -1.68 0.04 -1.26 -1.81 135.00 133.26 1x68 s PRO 14 Ca 0.16 1.60 -0.11 0.00 0.04 0.00 0.00 61.00 62.69 1x68 s PRO 14 Cb -0.10 -3.65 -0.00 0.00 0.04 0.00 0.00 34.50 30.79 1x68 s PRO 14 CO 0.08 -0.56 1.05 0.42 0.04 0.00 0.00 177.00 178.04 1x68 s ILE 15 N 2.81 3.91 0.00 0.56 1.01 -1.26 -4.99 121.20 123.24 1x68 s ILE 15 Ca 0.53 0.56 0.00 0.00 0.00 0.00 0.00 60.65 61.74 1x68 s ILE 15 Cb -0.22 -3.61 0.00 0.00 0.01 0.00 0.00 42.46 38.65 1x68 s ILE 15 CO 0.17 -0.78 0.35 -1.20 0.00 0.00 0.00 174.94 173.48 1x68 n SER 16 N -2.87 0.00 0.00 3.58 7.64 -1.26 -5.06 113.62 115.65 1x68 n SER 16 Ca 0.06 0.35 0.00 0.00 1.01 0.00 0.00 58.87 60.29 1x68 n SER 16 Cb 0.56 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.76 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 0.39 0.76 2.87 0.23 0.00 -1.26 -4.90 105.19 103.29 1x68 n GLY 17 Ca 0.00 -0.15 -0.03 0.00 0.00 0.00 0.00 46.02 45.84 1x68 n GLY 17 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x68 n LEU 18 N 0.00 0.53 0.16 0.99 4.77 -1.26 -4.85 117.00 117.35 1x68 n LEU 18 Ca 0.00 0.09 0.13 0.00 -0.03 0.00 0.00 56.01 56.19 1x68 n LEU 18 Cb 0.00 -2.46 0.56 0.00 -2.33 0.00 0.00 43.42 39.19 1x68 n LEU 18 CO 0.00 -0.96 0.88 0.74 -1.33 0.00 0.00 177.39 176.71 1x68 h THR 19 N 0.00 0.00 0.00 -5.08 2.02 -2.01 -3.45 112.91 104.39 1x68 h THR 19 Ca -0.07 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 66.91 1x68 h THR 19 Cb 1.01 0.91 0.00 0.00 -1.74 0.00 0.00 68.15 68.33 1x68 h THR 19 CO 0.10 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.60 1x68 n GLY 20 N -0.33 1.19 3.74 2.16 0.00 -1.26 -5.13 105.19 105.56 1x68 n GLY 20 Ca 0.01 0.00 -0.31 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 1.94 -0.54 4.61 0.00 -1.26 -4.96 121.76 119.55 1x68 s ALA 21 Ca 0.00 0.24 -0.24 0.00 0.00 0.00 0.00 51.96 51.95 1x68 s ALA 21 Cb 0.00 -3.28 0.04 0.00 0.00 0.00 0.00 23.12 19.88 1x68 s ALA 21 CO 0.00 -2.07 0.95 0.15 0.00 0.00 0.00 175.76 174.78 1x68 s LYS 22 N -4.86 3.37 0.20 0.00 1.02 -1.26 -5.01 119.74 113.20 1x68 s LYS 22 Ca 0.63 -0.18 0.04 0.00 0.02 0.00 0.00 55.97 56.47 1x68 s LYS 22 Cb -0.18 -4.03 -0.05 0.00 -0.52 0.00 0.00 37.83 33.05 1x68 s LYS 22 CO 0.57 -1.45 -0.03 -0.59 -0.92 0.00 0.00 175.35 172.93 1x68 s PHE 23 N 3.95 1.45 -0.02 3.18 -0.12 -1.26 -2.30 117.98 122.85 1x68 s PHE 23 Ca 0.32 -0.89 0.06 0.00 -0.05 0.00 0.00 56.93 56.37 1x68 s PHE 23 Cb -0.12 -0.81 -0.01 0.00 -0.63 0.00 0.00 43.02 41.45 1x68 s PHE 23 CO 0.21 -0.02 -0.19 0.42 -0.05 0.00 0.00 175.22 175.58 1x68 s ILE 24 N -3.42 1.52 -0.09 -4.49 1.09 0.00 -4.92 121.20 110.89 1x68 s ILE 24 Ca 0.25 -0.81 -0.00 0.00 -1.10 0.00 0.00 60.65 58.99 1x68 s ILE 24 Cb 0.05 -1.27 0.02 0.00 -1.06 0.00 0.00 42.46 40.20 1x68 s ILE 24 CO 0.06 0.43 -0.05 0.00 -0.10 0.00 0.00 174.94 175.28 1x68 s PHE 26 N 1.70 -0.26 -1.52 0.00 5.36 -1.24 -4.88 117.98 117.15 1x68 s PHE 26 Ca 0.03 0.65 -0.13 0.00 -0.96 0.00 0.00 56.93 56.52 1x68 s PHE 26 Cb -0.13 -0.00 0.08 0.00 -0.34 0.00 0.00 43.02 42.63 1x68 s PHE 26 CO -0.06 -0.20 0.92 0.94 -1.46 0.00 0.00 175.22 175.35 1x68 n GLN 27 N 4.13 -5.27 -0.66 10.12 7.27 -1.26 -1.26 117.38 130.46 1x68 n GLN 27 Ca -0.25 0.60 0.00 0.00 0.07 0.00 0.00 57.00 57.42 1x68 n GLN 27 Cb 0.53 -5.48 0.00 0.00 2.41 0.00 0.00 30.24 27.70 1x68 n GLN 27 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 1x68 n ASP 28 N -2.76 0.00 -4.78 1.69 8.00 -1.26 -4.98 116.55 112.46 1x68 n ASP 28 Ca 0.03 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.24 1x68 n ASP 28 Cb 0.53 -1.43 0.11 0.00 -0.02 0.00 0.00 41.12 40.31 1x68 n ASP 28 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1x68 s SER 29 N -2.44 4.11 -0.19 -2.24 0.15 -0.39 -5.08 113.70 107.62 1x68 s SER 29 Ca 0.00 1.28 -0.02 0.00 0.70 0.00 0.00 55.95 57.91 1x68 s SER 29 Cb 0.00 -1.98 0.06 0.00 -1.71 0.00 0.00 66.02 62.39 1x68 s SER 29 CO 0.00 -2.21 0.01 -1.10 1.20 0.00 0.00 173.24 171.14 1x68 s GLN 30 N -5.13 0.86 -0.11 5.44 -0.21 -1.26 -3.60 119.66 115.64 1x68 s GLN 30 Ca 0.62 -0.50 0.03 0.00 0.02 0.00 0.00 55.36 55.52 1x68 s GLN 30 Cb -0.15 -2.14 -0.00 0.00 1.00 0.00 0.00 33.01 31.71 1x68 s GLN 30 CO 0.55 -0.61 -0.20 -1.58 -2.12 0.00 0.00 175.29 171.32 1x68 s TRP 31 N 1.77 2.65 0.61 0.91 0.51 -0.67 -3.11 118.94 121.60 1x68 s TRP 31 Ca -0.01 -0.92 -0.16 0.00 -2.12 0.00 0.00 56.10 52.88 1x68 s TRP 31 Cb -0.17 -1.76 -0.03 0.00 -0.81 0.00 0.00 33.47 30.70 1x68 s TRP 31 CO -0.07 -0.36 1.08 -1.01 -0.51 0.00 0.00 176.95 176.07 1x68 s HIS 32 N 0.36 2.86 0.19 -1.98 3.76 -1.26 -0.82 115.29 118.40 1x68 s HIS 32 Ca -0.16 1.53 -0.15 0.00 -0.15 0.00 0.00 55.06 56.13 1x68 s HIS 32 Cb -0.17 -3.07 0.17 0.00 1.11 0.00 0.00 32.58 30.61 1x68 s HIS 32 CO 0.08 -1.31 1.65 0.66 -0.85 0.00 0.00 174.74 174.96 1x68 h SER 33 N 0.37 -0.45 0.37 1.40 4.64 -1.81 0.78 113.55 118.84 1x68 h SER 33 Ca -0.47 0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 1x68 h SER 33 Cb 1.23 0.31 0.00 0.00 -0.31 0.00 0.00 62.40 63.63 1x68 h SER 33 CO 0.56 -0.16 0.00 -0.62 -0.87 0.00 0.00 176.83 175.74 1x68 n GLU 34 N -5.36 0.40 -0.08 4.77 1.02 -1.26 -3.44 120.64 116.70 1x68 n GLU 34 Ca 0.05 0.06 0.07 0.00 -0.02 0.00 0.00 57.16 57.32 1x68 n GLU 34 Cb 0.27 -1.50 0.10 0.00 -0.02 0.00 0.00 31.44 30.29 1x68 n GLU 34 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1x68 s PHE 36 N -2.26 3.54 0.20 0.00 5.36 -0.92 -4.62 117.98 119.27 1x68 s PHE 36 Ca 0.23 -2.30 -0.13 0.00 -0.96 0.00 0.00 56.93 53.77 1x68 s PHE 36 Cb 0.20 -3.07 0.00 0.00 -0.34 0.00 0.00 43.02 39.81 1x68 s PHE 36 CO 0.02 -0.94 0.41 0.54 -1.46 0.00 0.00 175.22 173.79 1x68 s ASN 37 N 1.77 -0.09 -0.23 6.13 2.20 -1.26 -1.52 114.94 121.94 1x68 s ASN 37 Ca 0.06 -0.77 -0.32 0.00 -0.94 0.00 0.00 52.86 50.89 1x68 s ASN 37 Cb -0.22 0.52 -0.09 0.00 -2.00 0.00 0.00 41.25 39.46 1x68 s ASN 37 CO -0.03 -1.01 2.14 0.00 -2.94 0.00 0.00 177.10 175.26 1x68 h GLY 39 N 12.93 0.00 0.96 0.00 0.00 -1.48 0.12 103.07 115.61 1x68 h GLY 39 Ca -0.38 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 46.93 1x68 h GLY 39 CO 0.98 0.00 -1.10 0.28 0.00 0.00 0.00 176.54 176.70 1x68 n LYS 40 N -3.68 0.61 0.00 4.80 5.02 -1.26 -4.72 118.16 118.93 1x68 n LYS 40 Ca 0.05 0.13 0.00 0.00 -2.02 0.00 0.00 58.31 56.47 1x68 n LYS 40 Cb 0.52 -1.82 0.00 0.00 -0.02 0.00 0.00 35.03 33.71 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 -0.49 -2.75 -3.79 0.00 7.64 0.32 -5.01 113.62 109.55 1x68 n SER 42 Ca 0.00 0.06 -0.13 0.00 1.01 0.00 0.00 58.87 59.81 1x68 n SER 42 Cb 0.03 -1.56 -0.14 0.00 -1.01 0.00 0.00 64.21 61.54 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 -1.47 -0.03 0.25 0.44 0.11 -1.26 -4.88 120.40 113.55 1x68 s VAL 43 Ca 0.03 0.10 -0.31 0.00 -2.93 0.00 0.00 61.98 58.87 1x68 s VAL 43 Cb -0.01 -0.21 -0.13 0.00 -1.53 0.00 0.00 36.38 34.50 1x68 s VAL 43 CO 0.10 0.04 1.36 -0.24 -3.33 0.00 0.00 175.10 173.03 1x68 n SER 44 N 3.65 2.60 -0.32 3.54 2.88 -1.26 -0.93 113.62 123.78 1x68 n SER 44 Ca -0.20 1.15 0.03 0.00 -1.33 0.00 0.00 58.87 58.52 1x68 n SER 44 Cb 0.55 -1.41 0.07 0.00 -0.75 0.00 0.00 64.21 62.67 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 1.97 2.43 -4.54 2.46 4.77 -0.57 -4.84 117.00 118.69 1x68 n LEU 45 Ca 0.11 -1.97 -0.47 0.00 -0.03 0.00 0.00 56.01 53.65 1x68 n LEU 45 Cb 0.31 -0.11 -0.05 0.00 -2.33 0.00 0.00 43.42 41.24 1x68 n LEU 45 CO 0.62 0.61 1.79 0.52 -1.33 0.00 0.00 177.39 179.60 1x68 n VAL 46 N 0.01 0.30 -3.66 4.08 0.31 -1.26 -2.53 118.33 115.58 1x68 n VAL 46 Ca 0.06 -0.33 -0.24 0.00 -0.01 0.00 0.00 64.34 63.82 1x68 n VAL 46 Cb 0.33 -2.06 0.06 0.00 -0.91 0.00 0.00 33.84 31.27 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 5.98 -0.46 3.03 2.92 0.00 -1.26 -5.02 105.19 110.38 1x68 n GLY 47 Ca 0.34 0.19 -0.09 0.00 0.00 0.00 0.00 46.02 46.46 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 -6.16 0.46 0.27 1.61 -2.85 -1.05 -5.12 119.74 106.89 1x68 s LYS 48 Ca 0.41 -0.84 -0.30 0.00 -1.00 0.00 0.00 55.97 54.24 1x68 s LYS 48 Cb -0.19 0.05 -0.11 0.00 -2.06 0.00 0.00 37.83 35.52 1x68 s LYS 48 CO 0.77 -0.05 1.57 0.20 0.10 0.00 0.00 175.35 177.94 1x68 s GLY 49 N -1.96 2.04 0.40 0.59 0.00 -1.26 -4.99 107.32 102.14 1x68 s GLY 49 Ca -0.07 1.51 0.05 0.00 0.00 0.00 0.00 44.72 46.21 1x68 s GLY 49 CO -0.03 2.53 0.03 -0.11 0.00 0.00 0.00 173.10 175.52 1x68 s PHE 50 N 0.17 2.22 0.20 1.90 -0.12 -1.26 -4.79 117.98 116.30 1x68 s PHE 50 Ca 0.64 -0.84 0.11 0.00 -0.05 0.00 0.00 56.93 56.79 1x68 s PHE 50 Cb -0.46 -1.57 -0.04 0.00 -0.63 0.00 0.00 43.02 40.31 1x68 s PHE 50 CO 0.44 0.24 -0.18 -0.51 -0.05 0.00 0.00 175.22 175.17 1x68 s LEU 51 N -3.66 2.65 -0.17 -1.99 1.02 -0.74 -4.99 118.68 110.80 1x68 s LEU 51 Ca 0.30 -0.79 -0.04 0.00 0.02 0.00 0.00 54.13 53.62 1x68 s LEU 51 Cb 0.08 -1.33 0.08 0.00 0.02 0.00 0.00 46.19 45.04 1x68 s LEU 51 CO 0.15 0.10 0.20 -0.89 0.02 0.00 0.00 176.35 175.93 1x68 s THR 52 N -1.82 -0.30 0.01 5.49 2.01 -1.26 -1.91 115.64 117.85 1x68 s THR 52 Ca 0.24 0.01 -0.05 0.00 0.31 0.00 0.00 61.69 62.20 1x68 s THR 52 Cb -0.08 -0.58 -0.01 0.00 0.01 0.00 0.00 72.50 71.85 1x68 s THR 52 CO 0.13 -0.11 0.08 -1.58 -0.69 0.00 0.00 174.62 172.44 1x68 s GLN 53 N 2.32 0.43 -1.54 4.92 2.00 -1.07 -4.87 119.66 121.85 1x68 s GLN 53 Ca 0.05 -0.49 0.00 0.00 -2.00 0.00 0.00 55.36 52.92 1x68 s GLN 53 Cb -0.15 0.17 0.00 0.00 0.80 0.00 0.00 33.01 33.84 1x68 s GLN 53 CO -0.10 -0.10 0.00 0.09 -0.50 0.00 0.00 175.29 174.68 1x68 n ASN 54 N 1.45 -4.25 0.00 6.67 3.02 -1.26 -1.46 115.26 119.44 1x68 n ASN 54 Ca -0.23 0.30 0.00 0.00 -0.03 0.00 0.00 54.58 54.62 1x68 n ASN 54 Cb 0.55 -3.78 0.00 0.00 -0.61 0.00 0.00 39.78 35.94 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 -2.29 -0.80 -4.09 3.52 5.02 -1.26 -5.02 118.16 113.25 1x68 n LYS 55 Ca -0.16 0.20 -0.30 0.00 -2.02 0.00 0.00 58.31 56.03 1x68 n LYS 55 Cb 0.55 -3.87 -0.07 0.00 -0.02 0.00 0.00 35.03 31.62 1x68 n LYS 55 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1x68 s GLU 56 N -0.87 2.75 -0.19 1.97 2.02 -0.53 -5.12 118.70 118.73 1x68 s GLU 56 Ca 0.00 -0.78 -0.08 0.00 0.02 0.00 0.00 54.97 54.13 1x68 s GLU 56 Cb 0.00 -2.64 -0.04 0.00 0.10 0.00 0.00 34.13 31.55 1x68 s GLU 56 CO 0.00 0.54 0.08 0.96 0.02 0.00 0.00 175.26 176.86 1x68 s ILE 57 N -1.43 4.97 0.13 -1.63 -4.36 -1.26 -2.60 121.20 115.01 1x68 s ILE 57 Ca 0.28 0.03 0.03 0.00 -0.26 0.00 0.00 60.65 60.73 1x68 s ILE 57 Cb -0.12 -3.25 -0.04 0.00 1.25 0.00 0.00 42.46 40.30 1x68 s ILE 57 CO 0.21 0.45 -0.07 -0.36 0.24 0.00 0.00 174.94 175.41 1x68 s PHE 58 N 0.38 1.09 0.55 1.37 0.08 -0.80 -1.11 117.98 119.54 1x68 s PHE 58 Ca 0.04 -0.87 -0.07 0.00 0.12 0.00 0.00 56.93 56.16 1x68 s PHE 58 Cb -0.12 -0.60 -0.02 0.00 -0.57 0.00 0.00 43.02 41.71 1x68 s PHE 58 CO -0.00 -0.06 0.88 0.00 -0.10 0.00 0.00 175.22 175.93 1x68 h GLN 60 N -0.03 -0.12 -0.96 0.00 7.50 -1.93 0.94 115.11 120.51 1x68 h GLN 60 Ca -0.46 0.01 0.15 0.00 0.50 0.00 0.00 58.65 58.85 1x68 h GLN 60 Cb 1.22 0.03 -0.08 0.00 0.05 0.00 0.00 27.48 28.69 1x68 h GLN 60 CO 0.62 -0.08 0.61 0.87 -1.50 0.00 0.00 178.83 179.34 1x68 h LYS 61 N -0.13 0.77 0.07 1.46 1.57 -2.00 -0.49 116.57 117.83 1x68 h LYS 61 Ca 0.16 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1x68 h LYS 61 Cb 0.37 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1x68 h LYS 61 CO -0.39 0.51 -0.04 0.00 -0.57 0.00 0.00 179.45 178.97 1x68 n GLY 63 N 1.02 0.80 0.20 0.00 0.00 0.20 -3.95 105.19 103.46 1x68 n GLY 63 Ca -0.08 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.96 1x68 n GLY 63 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1x68 h SER 64 N 0.37 0.07 -4.62 1.61 0.87 -1.22 -3.48 113.55 107.15 1x68 h SER 64 Ca 0.00 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 1x68 h SER 64 Cb 0.28 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.22 1x68 h SER 64 CO 0.00 0.40 0.00 0.61 -0.53 0.00 0.00 176.83 177.31 1x68 n GLY 65 N -0.53 -3.28 1.31 5.77 0.00 -1.25 -4.97 105.19 102.24 1x68 n GLY 65 Ca -0.02 -1.88 0.00 0.00 0.00 0.00 0.00 46.02 44.12 1x68 n GLY 65 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1x68 n MET 66 N -0.32 0.00 -2.15 1.61 0.00 -1.26 -5.04 117.12 109.96 1x68 n MET 66 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 57.70 57.61 1x68 n MET 66 Cb 0.00 -0.36 -0.01 0.00 0.00 0.00 0.00 33.22 32.85 1x68 n MET 66 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 1x68 n ASP 67 N -3.48 -2.88 -4.62 3.17 8.00 -1.26 -4.89 116.55 110.59 1x68 n ASP 67 Ca 0.00 0.27 -0.43 0.00 0.71 0.00 0.00 54.79 55.34 1x68 n ASP 67 Cb 0.00 -2.57 -0.03 0.00 -0.02 0.00 0.00 41.12 38.50 1x68 n ASP 67 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1x68 s THR 68 N -2.26 3.42 0.38 -3.53 -4.23 -1.26 -4.99 115.64 103.17 1x68 s THR 68 Ca 0.00 0.46 -0.20 0.00 -1.18 0.00 0.00 61.69 60.78 1x68 s THR 68 Cb 0.00 -3.46 -0.10 0.00 1.34 0.00 0.00 72.50 70.28 1x68 s THR 68 CO 0.00 -0.22 0.88 1.51 -0.54 0.00 0.00 174.62 176.25 1x68 s ASP 69 N 5.43 6.92 0.11 3.99 -4.77 -1.26 -5.10 116.67 121.99 1x68 s ASP 69 Ca 0.81 1.57 -0.13 0.00 -3.30 0.00 0.00 52.55 51.50 1x68 s ASP 69 Cb -0.29 -2.49 0.02 0.00 -1.09 0.00 0.00 42.92 39.07 1x68 s ASP 69 CO 0.33 -0.28 0.31 0.27 0.70 0.00 0.00 175.17 176.50 1x68 s ILE 70 N -2.06 0.10 0.98 2.11 -4.36 -1.26 -5.19 121.20 111.53 1x68 s ILE 70 Ca 0.58 -0.82 -0.16 0.00 -0.26 0.00 0.00 60.65 59.98 1x68 s ILE 70 Cb -0.10 -1.22 0.22 0.00 1.25 0.00 0.00 42.46 42.60 1x68 s ILE 70 CO 0.15 -0.46 1.34 -0.44 0.24 0.00 0.00 174.94 175.78 1x68 s SER 71 N -2.78 2.89 0.12 4.36 0.01 -1.26 -5.11 113.70 111.92 1x68 s SER 71 Ca 0.03 0.16 0.10 0.00 1.31 0.00 0.00 55.95 57.55 1x68 s SER 71 Cb 0.03 -0.12 -0.04 0.00 0.21 0.00 0.00 66.02 66.10 1x68 s SER 71 CO -0.11 -2.87 -0.25 -0.83 0.41 0.00 0.00 173.24 169.59 1x68 s GLY 72 N -4.95 1.45 0.00 3.44 0.00 -0.65 -4.99 107.32 101.63 1x68 s GLY 72 Ca 0.76 -1.38 0.08 0.00 0.00 0.00 0.00 44.72 44.18 1x68 s GLY 72 CO 0.54 -1.36 0.93 -1.55 0.00 0.00 0.00 173.10 171.65 1x68 n PRO 73 N 1.02 0.47 0.00 2.90 -0.04 -1.26 -1.44 135.00 136.65 1x68 n PRO 73 Ca -0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 1x68 n PRO 73 Cb 0.53 -1.28 0.00 0.00 -0.04 0.00 0.00 33.50 32.71 1x68 n PRO 73 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1x68 n SER 74 N -0.78 0.73 -2.84 3.54 3.41 -1.26 -4.90 113.62 111.53 1x68 n SER 74 Ca 0.06 -0.99 -0.01 0.00 -0.26 0.00 0.00 58.87 57.67 1x68 n SER 74 Cb 0.03 0.01 0.01 0.00 -0.26 0.00 0.00 64.21 64.00 1x68 n SER 74 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1x68 s SER 75 N -0.01 -0.87 0.00 4.04 0.15 -0.52 -5.28 113.70 111.20 1x68 s SER 75 Ca 0.00 -0.76 0.00 0.00 0.70 0.00 0.00 55.95 55.89 1x68 s SER 75 Cb 0.00 1.13 0.00 0.00 -1.71 0.00 0.00 66.02 65.44 1x68 s SER 75 CO 0.00 -0.06 0.00 0.61 1.20 0.00 0.00 173.24 174.99