#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pe4 n ASP 2 N 0.00 0.70 -3.03 2.89 8.00 -1.26 -1.04 116.55 122.81 1pe4 n ASP 2 Ca 0.00 -1.65 -0.25 0.00 0.71 0.00 0.00 54.79 53.59 1pe4 n ASP 2 Cb 0.00 -0.49 -0.04 0.00 -0.02 0.00 0.00 41.12 40.57 1pe4 n ASP 2 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1pe4 n GLY 3 N -0.28 5.15 0.00 0.44 0.00 0.11 -1.12 105.19 109.49 1pe4 n GLY 3 Ca 0.11 -2.58 0.00 0.00 0.00 0.00 0.00 46.02 43.55 1pe4 n GLY 3 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1pe4 n TYR 4 N -0.02 0.00 -0.06 1.61 9.36 -1.26 -2.73 117.16 124.06 1pe4 n TYR 4 Ca 0.30 0.00 0.24 0.00 3.32 0.00 0.00 57.90 61.75 1pe4 n TYR 4 Cb 0.44 0.00 0.54 0.00 -0.63 0.00 0.00 39.34 39.69 1pe4 n TYR 4 CO 0.00 0.00 0.00 -1.35 0.22 0.00 0.00 176.86 175.73 1pe4 h PRO 5 N 0.00 0.00 -6.45 2.98 0.11 -1.97 -3.45 132.00 123.22 1pe4 h PRO 5 Ca 0.00 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.94 1pe4 h PRO 5 Cb 0.88 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.00 1pe4 h PRO 5 CO 0.00 0.00 -1.10 1.47 -0.21 0.00 0.00 178.00 178.16 1pe4 n LEU 6 N -3.34 -3.09 -0.38 2.35 -0.00 -1.26 -4.81 117.00 106.47 1pe4 n LEU 6 Ca 0.16 0.16 -0.09 0.00 -0.00 0.00 0.00 56.01 56.23 1pe4 n LEU 6 Cb 1.15 -1.58 -0.07 0.00 -0.00 0.00 0.00 43.42 42.93 1pe4 n LEU 6 CO 0.23 -0.80 0.51 0.00 -0.00 0.00 0.00 177.39 177.32 1pe4 h ALA 7 N 2.95 -0.42 -2.70 1.47 0.00 -1.86 -3.38 119.26 115.32 1pe4 h ALA 7 Ca -0.25 0.14 -0.53 0.00 0.00 0.00 0.00 54.91 54.27 1pe4 h ALA 7 Cb 1.18 1.27 -0.03 0.00 0.00 0.00 0.00 17.79 20.21 1pe4 h ALA 7 CO 0.10 -0.90 0.14 0.45 0.00 0.00 0.00 179.25 179.03 1pe4 s SER 8 N -5.43 7.30 0.08 0.00 0.15 -1.24 -4.99 113.70 109.57 1pe4 s SER 8 Ca -0.13 1.56 -0.32 0.00 0.70 0.00 0.00 55.95 57.77 1pe4 s SER 8 Cb 0.13 -2.47 -0.11 0.00 -1.71 0.00 0.00 66.02 61.86 1pe4 s SER 8 CO 0.64 0.20 1.84 0.59 1.20 0.00 0.00 173.24 177.71 1pe4 n ASN 9 N 1.50 3.85 -2.06 5.45 5.03 -1.26 -1.97 115.26 125.80 1pe4 n ASN 9 Ca -0.06 0.98 -0.02 0.00 0.87 0.00 0.00 54.58 56.35 1pe4 n ASN 9 Cb 0.49 -1.50 -0.00 0.00 -1.02 0.00 0.00 39.78 37.75 1pe4 n ASN 9 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1pe4 n GLY 10 N 4.23 -0.29 2.53 7.41 0.00 -1.26 -4.81 105.19 113.00 1pe4 n GLY 10 Ca 0.19 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.99 1pe4 n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pe4 n LYS 12 N 3.39 0.00 -1.11 0.00 5.02 -1.26 -3.69 118.16 120.51 1pe4 n LYS 12 Ca 0.21 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.50 1pe4 n LYS 12 Cb 0.46 -0.21 0.00 0.00 -0.02 0.00 0.00 35.03 35.26 1pe4 n LYS 12 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1pe4 n PHE 13 N -0.70 -0.33 -2.14 2.13 3.72 -1.23 -4.54 117.46 114.37 1pe4 n PHE 13 Ca 0.00 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 57.00 1pe4 n PHE 13 Cb 0.00 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.51 1pe4 n PHE 13 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1pe4 s GLY 14 N -0.79 0.56 0.00 1.37 0.00 -1.26 -3.69 107.32 103.51 1pe4 s GLY 14 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 44.72 44.27 1pe4 s GLY 14 CO 0.00 3.19 0.12 0.00 0.00 0.00 0.00 173.10 176.41 1pe4 h SER 16 N 0.00 0.00 0.00 0.00 4.64 -1.75 -2.59 113.55 113.85 1pe4 h SER 16 Ca -0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 1pe4 h SER 16 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 1pe4 h SER 16 CO -0.03 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.54 1pe4 n GLY 17 N -1.67 1.52 2.22 -0.77 0.00 -1.26 -3.98 105.19 101.25 1pe4 n GLY 17 Ca 0.19 0.13 -0.27 0.00 0.00 0.00 0.00 46.02 46.07 1pe4 n GLY 17 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pe4 n LEU 18 N 0.00 6.97 0.00 0.99 4.32 -1.26 -4.75 117.00 123.27 1pe4 n LEU 18 Ca 0.00 -3.72 0.00 0.00 -0.02 0.00 0.00 56.01 52.27 1pe4 n LEU 18 Cb 0.00 -1.44 0.00 0.00 -1.62 0.00 0.00 43.42 40.36 1pe4 n LEU 18 CO 0.00 1.76 0.00 0.61 -1.22 0.00 0.00 177.39 178.54 1pe4 n GLY 19 N 3.18 3.85 0.67 -0.72 0.00 -1.26 -5.00 105.19 105.91 1pe4 n GLY 19 Ca 0.61 -0.42 -0.05 0.00 0.00 0.00 0.00 46.02 46.16 1pe4 n GLY 19 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1pe4 n GLU 20 N 0.00 -0.04 -2.62 1.61 1.02 -1.26 -4.96 120.64 114.39 1pe4 n GLU 20 Ca 0.00 -0.39 -0.41 0.00 -0.02 0.00 0.00 57.16 56.34 1pe4 n GLU 20 Cb 0.00 -0.21 -0.03 0.00 -0.02 0.00 0.00 31.44 31.18 1pe4 n GLU 20 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1pe4 s ASN 21 N -1.81 6.52 -0.45 1.62 0.01 -1.26 -4.82 114.94 114.75 1pe4 s ASN 21 Ca 0.13 -1.54 0.06 0.00 -0.71 0.00 0.00 52.86 50.80 1pe4 s ASN 21 Cb -0.00 -2.54 0.41 0.00 0.41 0.00 0.00 41.25 39.53 1pe4 s ASN 21 CO 0.09 -1.44 1.07 0.59 -1.51 0.00 0.00 177.10 175.90 1pe4 n ASN 22 N 8.49 4.31 -1.53 -1.22 5.03 -1.26 -4.88 115.26 124.20 1pe4 n ASN 22 Ca 0.31 -3.61 -0.07 0.00 0.87 0.00 0.00 54.58 52.08 1pe4 n ASN 22 Cb 0.51 -0.48 0.03 0.00 -1.02 0.00 0.00 39.78 38.81 1pe4 n ASN 22 CO 0.00 0.00 0.00 -0.81 -1.83 0.00 0.00 177.26 174.62 1pe4 n PRO 23 N -0.40 1.37 0.19 3.52 -0.04 -1.26 -3.04 135.00 135.34 1pe4 n PRO 23 Ca 0.35 -0.77 0.10 0.00 -0.04 0.00 0.00 63.50 63.14 1pe4 n PRO 23 Cb 0.64 -1.30 0.12 0.00 -0.04 0.00 0.00 33.50 32.92 1pe4 n PRO 23 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1pe4 h THR 24 N 0.68 0.15 -0.32 0.52 2.02 -1.90 -3.28 112.91 110.77 1pe4 h THR 24 Ca 0.15 -1.22 0.09 0.00 0.77 0.00 0.00 66.41 66.21 1pe4 h THR 24 Cb 1.17 2.02 -0.01 0.00 -1.74 0.00 0.00 68.15 69.58 1pe4 h THR 24 CO 0.34 0.09 0.37 0.00 0.37 0.00 0.00 175.52 176.68 1pe4 h ASN 26 N 0.00 -0.09 -0.25 0.00 2.35 -1.83 -0.39 115.58 115.37 1pe4 h ASN 26 Ca 0.15 -0.42 -0.07 0.00 -0.55 0.00 0.00 56.30 55.42 1pe4 h ASN 26 Cb 0.89 0.02 -0.01 0.00 0.05 0.00 0.00 38.32 39.28 1pe4 h ASN 26 CO -0.00 0.39 -0.11 -0.74 -1.65 0.00 0.00 177.43 175.32 1pe4 h HIS 27 N -0.60 0.59 -0.89 1.19 2.76 -1.36 -2.60 115.15 114.24 1pe4 h HIS 27 Ca -0.01 -0.14 0.02 0.00 -2.20 0.00 0.00 60.37 58.04 1pe4 h HIS 27 Cb 0.50 -0.14 -0.05 0.00 1.55 0.00 0.00 27.41 29.27 1pe4 h HIS 27 CO 0.08 0.76 0.59 0.28 -1.30 0.00 0.00 177.93 178.35 1pe4 h VAL 28 N 0.24 1.20 -0.67 5.26 2.07 -0.63 0.28 116.25 124.00 1pe4 h VAL 28 Ca 0.06 -0.41 -0.00 0.00 0.82 0.00 0.00 66.70 67.17 1pe4 h VAL 28 Cb 0.60 -0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.26 1pe4 h VAL 28 CO 0.03 0.22 0.42 0.00 0.02 0.00 0.00 177.57 178.26 1pe4 h GLU 30 N 0.92 0.00 0.00 0.00 5.08 -1.00 0.52 114.58 120.10 1pe4 h GLU 30 Ca 0.24 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 1pe4 h GLU 30 Cb -0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.20 1pe4 h GLU 30 CO -0.05 0.61 0.00 1.63 -1.00 0.00 0.00 179.01 180.21 1pe4 n LYS 31 N -3.75 0.00 0.00 2.33 5.02 0.93 -4.65 118.16 118.05 1pe4 n LYS 31 Ca -0.01 0.34 0.00 0.00 -2.02 0.00 0.00 58.31 56.62 1pe4 n LYS 31 Cb 0.62 -1.29 0.00 0.00 -0.02 0.00 0.00 35.03 34.34 1pe4 n LYS 31 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1pe4 n LYS 32 N -1.45 -0.02 -1.14 1.97 4.81 -0.99 -4.81 118.16 116.52 1pe4 n LYS 32 Ca 0.00 -0.06 -0.21 0.00 -0.87 0.00 0.00 58.31 57.17 1pe4 n LYS 32 Cb 0.00 -0.51 0.18 0.00 0.02 0.00 0.00 35.03 34.72 1pe4 n LYS 32 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1pe4 n ALA 33 N -0.01 5.33 -1.92 3.14 0.00 -0.85 -4.65 120.51 121.54 1pe4 n ALA 33 Ca 0.00 -2.68 0.00 0.00 0.00 0.00 0.00 53.44 50.76 1pe4 n ALA 33 Cb 0.19 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.24 1pe4 n ALA 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pe4 n GLY 34 N -0.95 -4.52 2.77 0.00 0.00 0.18 -3.83 105.19 98.84 1pe4 n GLY 34 Ca 0.55 -0.32 -0.35 0.00 0.00 0.00 0.00 46.02 45.90 1pe4 n GLY 34 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1pe4 n SER 35 N 0.83 6.02 0.07 1.61 3.41 -1.09 -4.27 113.62 120.20 1pe4 n SER 35 Ca 0.00 -3.67 0.00 0.00 -0.26 0.00 0.00 58.87 54.94 1pe4 n SER 35 Cb 0.00 -0.90 0.00 0.00 -0.26 0.00 0.00 64.21 63.05 1pe4 n SER 35 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1pe4 n ASP 36 N -0.05 0.23 -4.67 4.04 2.03 -1.26 -4.97 116.55 111.89 1pe4 n ASP 36 Ca 0.39 0.23 -0.35 0.00 0.52 0.00 0.00 54.79 55.59 1pe4 n ASP 36 Cb 0.32 0.07 -0.09 0.00 -0.72 0.00 0.00 41.12 40.70 1pe4 n ASP 36 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 1pe4 s TYR 37 N -1.66 3.28 0.20 -0.67 6.14 -1.26 -5.01 117.35 118.38 1pe4 s TYR 37 Ca 0.00 0.15 -0.16 0.00 0.64 0.00 0.00 57.07 57.70 1pe4 s TYR 37 Cb 0.00 -2.02 0.02 0.00 0.42 0.00 0.00 41.96 40.38 1pe4 s TYR 37 CO 0.00 0.27 0.49 0.20 0.64 0.00 0.00 175.55 177.15 1pe4 s GLY 38 N 0.02 0.09 -0.30 8.97 0.00 -1.26 -0.84 107.32 114.01 1pe4 s GLY 38 Ca 0.06 -0.43 -0.12 0.00 0.00 0.00 0.00 44.72 44.23 1pe4 s GLY 38 CO 0.01 -0.39 0.76 -0.47 0.00 0.00 0.00 173.10 173.00 1pe4 s TYR 39 N -3.91 -1.12 -0.25 1.90 5.04 -0.98 -4.88 117.35 113.14 1pe4 s TYR 39 Ca 0.13 1.97 0.02 0.00 -2.44 0.00 0.00 57.07 56.74 1pe4 s TYR 39 Cb -0.01 0.67 0.06 0.00 0.35 0.00 0.00 41.96 43.04 1pe4 s TYR 39 CO 0.00 -0.56 -0.07 0.00 -1.34 0.00 0.00 175.55 173.58 1pe4 n TYR 41 N 4.57 -0.33 -0.75 0.00 4.19 -1.26 -5.08 117.16 118.50 1pe4 n TYR 41 Ca -0.12 0.06 0.00 0.00 3.31 0.00 0.00 57.90 61.14 1pe4 n TYR 41 Cb 0.43 0.22 0.00 0.00 0.49 0.00 0.00 39.34 40.48 1pe4 n TYR 41 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1pe4 n ALA 42 N -3.01 0.00 -1.69 2.98 0.00 -1.26 -4.94 120.51 112.59 1pe4 n ALA 42 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 1pe4 n ALA 42 Cb 0.21 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.63 1pe4 n ALA 42 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 1pe4 n TRP 43 N 0.00 2.22 -3.61 0.00 8.01 -1.26 -4.55 117.44 118.25 1pe4 n TRP 43 Ca 0.00 -2.66 -0.04 0.00 -1.31 0.00 0.00 57.50 53.49 1pe4 n TRP 43 Cb 0.00 -1.91 -0.03 0.00 -2.01 0.00 0.00 31.31 27.37 1pe4 n TRP 43 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.69 176.60 1pe4 s THR 44 N -0.39 0.00 -0.13 -0.99 -1.32 -0.98 -4.02 115.64 107.81 1pe4 s THR 44 Ca 0.59 0.00 -0.04 0.00 -1.21 0.00 0.00 61.69 61.04 1pe4 s THR 44 Cb 0.22 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 70.18 1pe4 s THR 44 CO -0.10 0.00 -0.00 0.00 -2.21 0.00 0.00 174.62 172.31 1pe4 s TYR 46 N -0.13 3.21 0.25 0.00 5.04 0.08 -3.51 117.35 122.29 1pe4 s TYR 46 Ca 0.04 -0.00 -0.21 0.00 -2.44 0.00 0.00 57.07 54.46 1pe4 s TYR 46 Cb -0.13 -1.53 0.06 0.00 0.35 0.00 0.00 41.96 40.71 1pe4 s TYR 46 CO 0.02 0.52 0.90 0.00 -1.34 0.00 0.00 175.55 175.65 1pe4 s GLU 48 N -2.75 2.00 -1.00 0.00 2.12 -0.02 0.07 118.70 119.13 1pe4 s GLU 48 Ca 0.16 -1.35 0.00 0.00 0.36 0.00 0.00 54.97 54.14 1pe4 s GLU 48 Cb -0.04 -2.10 0.00 0.00 0.26 0.00 0.00 34.13 32.26 1pe4 s GLU 48 CO 0.07 0.41 0.00 0.72 -0.54 0.00 0.00 175.26 175.92 1pe4 n HIS 49 N -0.09 0.00 0.12 5.30 8.25 -0.20 -3.06 115.22 125.53 1pe4 n HIS 49 Ca -0.10 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.43 1pe4 n HIS 49 Cb 0.56 -2.20 0.02 0.00 1.12 0.00 0.00 29.99 29.50 1pe4 n HIS 49 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1pe4 h VAL 50 N 0.00 0.32 0.00 1.59 2.07 -1.65 -3.26 116.25 115.32 1pe4 h VAL 50 Ca -0.19 -1.53 0.00 0.00 0.82 0.00 0.00 66.70 65.80 1pe4 h VAL 50 Cb 0.88 1.95 0.00 0.00 -1.52 0.00 0.00 31.29 32.60 1pe4 h VAL 50 CO 0.28 0.18 0.00 0.00 0.02 0.00 0.00 177.57 178.06 1pe4 n ALA 51 N -2.23 2.59 -0.83 1.67 0.00 -0.27 -3.58 120.51 117.85 1pe4 n ALA 51 Ca -0.01 -0.18 -0.27 0.00 0.00 0.00 0.00 53.44 52.98 1pe4 n ALA 51 Cb 0.66 -1.49 -0.03 0.00 0.00 0.00 0.00 19.45 18.59 1pe4 n ALA 51 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1pe4 n GLU 52 N -1.07 1.85 -2.24 0.00 2.13 -1.23 -4.35 120.64 115.73 1pe4 n GLU 52 Ca 0.21 -1.54 -0.09 0.00 0.66 0.00 0.00 57.16 56.40 1pe4 n GLU 52 Cb 0.14 -2.57 -0.01 0.00 0.27 0.00 0.00 31.44 29.26 1pe4 n GLU 52 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1pe4 n GLY 53 N 3.99 -0.26 3.91 8.31 0.00 -1.26 -4.92 105.19 114.97 1pe4 n GLY 53 Ca 0.44 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.20 1pe4 n GLY 53 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pe4 s THR 54 N -2.32 4.13 -0.47 2.61 2.01 -1.23 -5.03 115.64 115.34 1pe4 s THR 54 Ca 0.00 0.09 -0.25 0.00 0.31 0.00 0.00 61.69 61.83 1pe4 s THR 54 Cb 0.00 -3.61 0.03 0.00 0.01 0.00 0.00 72.50 68.93 1pe4 s THR 54 CO 0.00 -0.62 0.93 0.68 -0.69 0.00 0.00 174.62 174.92 1pe4 s VAL 55 N -2.90 4.47 -0.28 3.82 -7.23 -1.26 -4.87 120.40 112.15 1pe4 s VAL 55 Ca 0.52 0.72 0.20 0.00 -1.81 0.00 0.00 61.98 61.61 1pe4 s VAL 55 Cb -0.10 -4.44 0.49 0.00 0.56 0.00 0.00 36.38 32.89 1pe4 s VAL 55 CO 0.45 -0.85 1.08 -0.11 -0.31 0.00 0.00 175.10 175.36 1pe4 n LEU 56 N 7.19 1.90 0.02 1.32 7.94 -1.26 -4.86 117.00 129.24 1pe4 n LEU 56 Ca 0.06 -3.36 -0.17 0.00 -1.11 0.00 0.00 56.01 51.42 1pe4 n LEU 56 Cb 0.48 0.38 -0.14 0.00 0.53 0.00 0.00 43.42 44.67 1pe4 n LEU 56 CO 0.64 1.26 -0.62 -0.50 -1.11 0.00 0.00 177.39 177.06 1pe4 h TRP 57 N 2.66 0.38 0.00 1.96 -0.00 -1.89 -3.38 115.95 115.67 1pe4 h TRP 57 Ca -0.08 -0.27 0.00 0.00 -0.00 0.00 0.00 58.89 58.54 1pe4 h TRP 57 Cb 1.26 -0.02 0.00 0.00 -0.00 0.00 0.00 29.16 30.41 1pe4 h TRP 57 CO 0.54 1.50 0.00 0.41 -0.00 0.00 0.00 178.44 180.89 1pe4 n GLY 58 N 1.81 0.09 0.00 1.49 0.00 -1.26 -4.52 105.19 102.80 1pe4 n GLY 58 Ca -0.25 0.72 0.00 0.00 0.00 0.00 0.00 46.02 46.50 1pe4 n GLY 58 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1pe4 n ASP 59 N 0.00 0.00 -0.09 1.61 9.92 -1.26 -4.97 116.55 121.76 1pe4 n ASP 59 Ca 0.00 0.00 -0.11 0.00 -0.53 0.00 0.00 54.79 54.15 1pe4 n ASP 59 Cb 0.00 0.00 -0.04 0.00 -0.64 0.00 0.00 41.12 40.44 1pe4 n ASP 59 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 1pe4 n SER 60 N 0.00 1.89 0.22 -2.24 2.88 -1.26 -4.51 113.62 110.59 1pe4 n SER 60 Ca 0.00 0.32 0.15 0.00 -1.33 0.00 0.00 58.87 58.01 1pe4 n SER 60 Cb 0.00 -0.73 0.67 0.00 -0.75 0.00 0.00 64.21 63.40 1pe4 n SER 60 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1pe4 h GLY 61 N -0.95 0.00 -2.03 0.46 0.00 -1.81 -3.44 103.07 95.30 1pe4 h GLY 61 Ca -0.10 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 46.75 1pe4 h GLY 61 CO -0.06 0.00 0.40 -0.51 0.00 0.00 0.00 176.54 176.37 1pe4 s THR 62 N -3.58 3.62 0.00 4.70 -4.23 -1.26 -3.84 115.64 111.05 1pe4 s THR 62 Ca 0.01 0.98 0.00 0.00 -1.18 0.00 0.00 61.69 61.50 1pe4 s THR 62 Cb 0.09 -3.39 0.00 0.00 1.34 0.00 0.00 72.50 70.54 1pe4 s THR 62 CO 0.43 -0.25 0.00 0.61 -0.54 0.00 0.00 174.62 174.87 1pe4 n GLY 63 N -0.22 2.01 1.76 3.99 0.00 -1.26 -4.71 105.19 106.75 1pe4 n GLY 63 Ca 0.10 -0.64 -0.14 0.00 0.00 0.00 0.00 46.02 45.33 1pe4 n GLY 63 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1pe4 n PRO 64 N 0.00 1.70 0.00 1.61 -0.04 -1.26 -4.58 135.00 132.43 1pe4 n PRO 64 Ca 0.00 -1.47 0.00 0.00 -0.04 0.00 0.00 63.50 61.99 1pe4 n PRO 64 Cb 0.00 -1.57 0.00 0.00 -0.04 0.00 0.00 33.50 31.89 1pe4 n PRO 64 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pe4 s ARG 66 N 0.00 2.39 0.00 0.00 1.04 -1.26 -4.87 118.95 116.25 1pe4 s ARG 66 Ca 0.00 -1.12 0.00 0.00 -1.04 0.00 0.00 55.73 53.57 1pe4 s ARG 66 Cb 0.00 -2.55 0.00 0.00 -2.04 0.00 0.00 34.95 30.36 1pe4 s ARG 66 CO 0.00 -0.79 0.26 -1.13 -0.04 0.00 0.00 175.30 173.60