#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 -2.16 -3.16 2.89 5.68 -1.26 -0.66 116.55 117.88 1pe4 n ASP 2 Ca 0.00 -0.11 -0.26 0.00 -0.50 0.00 0.00 54.79 53.93 1pe4 n ASP 2 Cb 0.00 -1.06 -0.06 0.00 -1.14 0.00 0.00 41.12 38.86 1pe4 n ASP 2 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1pe4 n GLY 3 N 1.70 4.89 0.08 6.12 0.00 0.84 -3.17 105.19 115.64 1pe4 n GLY 3 Ca 0.02 -2.57 0.04 0.00 0.00 0.00 0.00 46.02 43.51 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 0.34 0.00 0.18 1.61 4.19 -1.26 -2.63 117.16 119.60 1pe4 n TYR 4 Ca 0.29 -0.62 0.06 0.00 3.31 0.00 0.00 57.90 60.94 1pe4 n TYR 4 Cb 0.44 -0.09 0.23 0.00 0.49 0.00 0.00 39.34 40.42 1pe4 n TYR 4 CO 0.00 0.00 0.00 -1.00 0.91 0.00 0.00 176.86 176.77 1pe4 h PRO 5 N 0.00 0.00 -2.25 2.98 0.13 -1.94 -3.46 132.00 127.46 1pe4 h PRO 5 Ca 0.00 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.00 1pe4 h PRO 5 Cb 0.84 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.93 1pe4 h PRO 5 CO 0.00 0.36 -0.13 1.47 -0.23 0.00 0.00 178.00 179.48 1pe4 n LEU 6 N -3.33 -0.49 0.00 1.56 -0.00 -1.26 -4.65 117.00 108.83 1pe4 n LEU 6 Ca 0.01 0.19 0.00 0.00 -0.00 0.00 0.00 56.01 56.22 1pe4 n LEU 6 Cb 0.58 -1.29 0.00 0.00 -0.00 0.00 0.00 43.42 42.71 1pe4 n LEU 6 CO 0.37 -0.28 0.00 0.00 -0.00 0.00 0.00 177.39 177.48 1pe4 n ALA 7 N -0.70 0.00 -1.43 1.47 0.00 -1.26 -3.47 120.51 115.12 1pe4 n ALA 7 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1pe4 n ALA 7 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.73 1pe4 n ALA 7 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1pe4 n SER 8 N 0.87 0.00 -4.57 0.00 2.88 -1.26 -4.85 113.62 106.69 1pe4 n SER 8 Ca 0.00 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.38 1pe4 n SER 8 Cb 0.00 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.36 1pe4 n SER 8 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 1pe4 s ASN 9 N -1.00 3.72 -1.54 -3.46 0.02 -1.26 -3.84 114.94 107.58 1pe4 s ASN 9 Ca 0.00 -0.74 -0.20 0.00 -1.02 0.00 0.00 52.86 50.90 1pe4 s ASN 9 Cb 0.00 -2.58 0.20 0.00 0.02 0.00 0.00 41.25 38.88 1pe4 s ASN 9 CO 0.00 -4.34 0.49 0.61 0.02 0.00 0.00 177.10 173.88 1pe4 n GLY 10 N 6.33 -0.36 2.94 0.66 0.00 -1.23 0.11 105.19 113.65 1pe4 n GLY 10 Ca 0.43 0.06 -0.43 0.00 0.00 0.00 0.00 46.02 46.08 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 2.29 2.07 0.00 0.00 5.02 -1.26 -0.55 118.16 125.72 1pe4 n LYS 12 Ca 0.32 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.61 1pe4 n LYS 12 Cb 0.34 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.35 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 0.00 0.00 0.00 2.13 3.72 -1.24 -2.76 117.46 119.31 1pe4 n PHE 13 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1pe4 n PHE 13 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 1pe4 n PHE 13 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1pe4 n GLY 14 N 5.00 -2.92 2.10 1.37 0.00 -1.26 -3.19 105.19 106.29 1pe4 n GLY 14 Ca 0.00 -0.74 -0.05 0.00 0.00 0.00 0.00 46.02 45.23 1pe4 n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pe4 h SER 16 N -0.03 0.00 0.00 0.00 0.02 -1.69 -3.36 113.55 108.49 1pe4 h SER 16 Ca -0.13 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 1pe4 h SER 16 Cb 1.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.63 1pe4 h SER 16 CO 0.15 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.45 1pe4 n GLY 17 N -1.79 2.11 2.94 -3.77 0.00 -1.26 -3.97 105.19 99.45 1pe4 n GLY 17 Ca 0.30 -0.06 -0.36 0.00 0.00 0.00 0.00 46.02 45.90 1pe4 n GLY 17 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1pe4 n LEU 18 N 0.00 4.36 0.00 0.99 -0.00 -1.26 -3.73 117.00 117.36 1pe4 n LEU 18 Ca 0.00 -2.90 0.00 0.00 -0.00 0.00 0.00 56.01 53.11 1pe4 n LEU 18 Cb 0.00 -1.11 0.00 0.00 -0.00 0.00 0.00 43.42 42.31 1pe4 n LEU 18 CO 0.00 -0.04 0.00 0.61 -0.00 0.00 0.00 177.39 177.96 1pe4 n GLY 19 N 4.28 0.81 3.48 1.47 0.00 -1.26 -4.98 105.19 108.99 1pe4 n GLY 19 Ca 0.48 -0.60 -0.12 0.00 0.00 0.00 0.00 46.02 45.77 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 0.20 0.00 1.61 1.02 -1.24 -4.65 120.64 117.58 1pe4 n GLU 20 Ca 0.00 -1.07 0.15 0.00 -0.02 0.00 0.00 57.16 56.23 1pe4 n GLU 20 Cb 0.00 -3.19 0.82 0.00 -0.02 0.00 0.00 31.44 29.06 1pe4 n GLU 20 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1pe4 n ASN 21 N 16.14 0.32 -3.29 1.62 4.13 -1.26 -4.52 115.26 128.40 1pe4 n ASN 21 Ca 0.39 -0.97 -0.08 0.00 1.68 0.00 0.00 54.58 55.59 1pe4 n ASN 21 Cb 0.43 -0.03 -0.05 0.00 -1.54 0.00 0.00 39.78 38.59 1pe4 n ASN 21 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 1pe4 s ASN 22 N -2.10 0.12 -0.02 6.41 3.84 -1.26 -4.64 114.94 117.29 1pe4 s ASN 22 Ca 0.43 -0.67 0.04 0.00 0.21 0.00 0.00 52.86 52.87 1pe4 s ASN 22 Cb 0.21 1.18 0.16 0.00 -0.55 0.00 0.00 41.25 42.26 1pe4 s ASN 22 CO 0.38 -0.30 0.96 -0.81 -2.79 0.00 0.00 177.10 174.54 1pe4 n PRO 23 N 4.97 1.60 -0.03 0.43 -0.05 -1.26 -2.88 135.00 137.79 1pe4 n PRO 23 Ca 0.05 -0.64 -0.15 0.00 -0.05 0.00 0.00 63.50 62.71 1pe4 n PRO 23 Cb 0.50 -1.38 -0.10 0.00 -0.05 0.00 0.00 33.50 32.47 1pe4 n PRO 23 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 175.50 176.60 1pe4 h THR 24 N 0.92 1.45 -1.28 0.52 2.02 -1.97 -3.25 112.91 111.32 1pe4 h THR 24 Ca 0.00 -1.77 0.43 0.00 0.77 0.00 0.00 66.41 65.84 1pe4 h THR 24 Cb 0.50 2.43 -0.13 0.00 -1.74 0.00 0.00 68.15 69.21 1pe4 h THR 24 CO 0.05 0.50 0.81 0.00 0.37 0.00 0.00 175.52 177.25 1pe4 h ASN 26 N 0.09 -0.40 -0.21 0.00 2.35 -1.86 -2.68 115.58 112.86 1pe4 h ASN 26 Ca 0.82 0.02 -0.17 0.00 -0.55 0.00 0.00 56.30 56.42 1pe4 h ASN 26 Cb 2.51 0.12 0.00 0.00 0.05 0.00 0.00 38.32 41.00 1pe4 h ASN 26 CO -0.47 -0.24 -0.54 0.45 -1.65 0.00 0.00 177.43 174.98 1pe4 h HIS 27 N -0.39 0.94 -0.30 1.19 3.86 -1.36 -2.33 115.15 116.77 1pe4 h HIS 27 Ca -0.03 -0.37 0.03 0.00 -1.16 0.00 0.00 60.37 58.84 1pe4 h HIS 27 Cb 0.31 -0.17 -0.05 0.00 1.06 0.00 0.00 27.41 28.57 1pe4 h HIS 27 CO 0.04 1.17 -0.27 0.28 0.86 0.00 0.00 177.93 180.00 1pe4 h VAL 28 N 0.45 0.00 -0.23 2.45 2.07 0.11 0.80 116.25 121.90 1pe4 h VAL 28 Ca -0.01 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.37 1pe4 h VAL 28 Cb 1.16 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 1pe4 h VAL 28 CO 0.12 0.00 -0.44 0.00 0.02 0.00 0.00 177.57 177.26 1pe4 n GLU 30 N -4.01 0.92 0.00 0.00 2.13 -0.74 0.15 120.64 119.09 1pe4 n GLU 30 Ca -0.02 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.80 1pe4 n GLU 30 Cb 0.54 -1.15 0.00 0.00 0.27 0.00 0.00 31.44 31.11 1pe4 n GLU 30 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1pe4 n LYS 31 N -0.65 0.00 0.01 5.31 5.02 0.27 -4.42 118.16 123.71 1pe4 n LYS 31 Ca 0.06 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.25 1pe4 n LYS 31 Cb 0.03 -0.03 -0.14 0.00 -0.02 0.00 0.00 35.03 34.87 1pe4 n LYS 31 CO 0.00 0.00 0.00 1.57 -0.52 0.00 0.00 177.40 178.45 1pe4 h LYS 32 N 0.00 0.06 -0.47 1.97 -0.00 -1.61 -3.31 116.57 113.21 1pe4 h LYS 32 Ca 0.00 -0.11 0.00 0.00 -0.00 0.00 0.00 60.65 60.54 1pe4 h LYS 32 Cb 0.00 0.04 0.00 0.00 -0.00 0.00 0.00 32.23 32.27 1pe4 h LYS 32 CO 0.00 0.76 0.00 0.00 -0.00 0.00 0.00 179.45 180.21 1pe4 n ALA 33 N -2.56 2.42 -1.34 0.07 0.00 -1.09 -4.99 120.51 113.02 1pe4 n ALA 33 Ca -0.14 -1.00 0.15 0.00 0.00 0.00 0.00 53.44 52.45 1pe4 n ALA 33 Cb 1.03 -0.93 -0.08 0.00 0.00 0.00 0.00 19.45 19.46 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 1.48 -2.91 3.25 0.00 0.00 0.40 -4.69 105.19 102.72 1pe4 n GLY 34 Ca 0.20 -0.87 -0.43 0.00 0.00 0.00 0.00 46.02 44.91 1pe4 n GLY 34 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1pe4 s SER 35 N -7.01 6.14 0.00 1.61 0.15 -1.24 -3.94 113.70 109.41 1pe4 s SER 35 Ca 0.00 -2.52 0.00 0.00 0.70 0.00 0.00 55.95 54.13 1pe4 s SER 35 Cb 0.00 -2.09 0.00 0.00 -1.71 0.00 0.00 66.02 62.22 1pe4 s SER 35 CO 0.00 -0.57 0.00 0.47 1.20 0.00 0.00 173.24 174.34 1pe4 n ASP 36 N 4.13 0.00 -4.37 5.45 8.00 -1.26 -5.07 116.55 123.43 1pe4 n ASP 36 Ca 0.06 0.00 -0.39 0.00 0.71 0.00 0.00 54.79 55.17 1pe4 n ASP 36 Cb 0.43 0.00 -0.12 0.00 -0.02 0.00 0.00 41.12 41.41 1pe4 n ASP 36 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1pe4 s TYR 37 N -0.38 3.21 -0.13 1.24 5.04 -1.26 -5.07 117.35 120.01 1pe4 s TYR 37 Ca 0.00 -0.95 -0.11 0.00 -2.44 0.00 0.00 57.07 53.57 1pe4 s TYR 37 Cb 0.00 -2.35 0.03 0.00 0.35 0.00 0.00 41.96 39.99 1pe4 s TYR 37 CO 0.00 -0.60 0.34 0.20 -1.34 0.00 0.00 175.55 174.15 1pe4 s GLY 38 N 1.53 -0.25 0.18 8.97 0.00 -1.26 -1.09 107.32 115.39 1pe4 s GLY 38 Ca 0.02 0.98 -0.02 0.00 0.00 0.00 0.00 44.72 45.70 1pe4 s GLY 38 CO 0.05 0.89 0.14 -2.52 0.00 0.00 0.00 173.10 171.65 1pe4 s TYR 39 N 0.29 0.97 0.01 1.90 1.13 -0.43 -4.95 117.35 116.27 1pe4 s TYR 39 Ca -0.01 -1.25 -0.06 0.00 -1.41 0.00 0.00 57.07 54.33 1pe4 s TYR 39 Cb -0.03 -0.46 -0.00 0.00 -1.10 0.00 0.00 41.96 40.37 1pe4 s TYR 39 CO -0.01 -0.63 0.12 0.00 -2.51 0.00 0.00 175.55 172.52 1pe4 n TYR 41 N 1.31 0.00 0.00 0.00 4.01 -1.26 -4.97 117.16 116.25 1pe4 n TYR 41 Ca -0.22 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.52 1pe4 n TYR 41 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.59 1pe4 n TYR 41 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1pe4 n ALA 42 N -1.86 0.00 1.17 -0.72 0.00 -1.26 -4.85 120.51 112.99 1pe4 n ALA 42 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 1pe4 n ALA 42 Cb 0.00 0.00 0.15 0.00 0.00 0.00 0.00 19.45 19.60 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 0.34 -2.60 0.00 8.01 -1.25 -4.58 117.44 117.35 1pe4 n TRP 43 Ca 0.00 -0.17 -0.22 0.00 -1.31 0.00 0.00 57.50 55.80 1pe4 n TRP 43 Cb 0.00 0.00 0.07 0.00 -2.01 0.00 0.00 31.31 29.37 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 -1.66 2.41 -0.25 -0.99 -1.32 -1.22 -2.28 115.64 110.33 1pe4 s THR 44 Ca 0.19 -0.62 -0.01 0.00 -1.21 0.00 0.00 61.69 60.04 1pe4 s THR 44 Cb 0.10 -2.79 0.08 0.00 -1.51 0.00 0.00 72.50 68.38 1pe4 s THR 44 CO 0.14 0.00 0.04 0.00 -2.21 0.00 0.00 174.62 172.58 1pe4 s TYR 46 N 1.61 3.37 0.25 0.00 2.02 0.25 -3.66 117.35 121.18 1pe4 s TYR 46 Ca 0.02 1.23 -0.15 0.00 -0.37 0.00 0.00 57.07 57.80 1pe4 s TYR 46 Cb -0.18 -2.54 0.06 0.00 -0.40 0.00 0.00 41.96 38.90 1pe4 s TYR 46 CO -0.14 0.08 0.76 0.00 -1.57 0.00 0.00 175.55 174.68 1pe4 s GLU 48 N -2.06 1.60 -1.19 0.00 2.12 -0.25 -0.11 118.70 118.81 1pe4 s GLU 48 Ca 0.16 -1.52 -0.04 0.00 0.36 0.00 0.00 54.97 53.93 1pe4 s GLU 48 Cb -0.03 -1.88 0.00 0.00 0.26 0.00 0.00 34.13 32.48 1pe4 s GLU 48 CO 0.07 0.40 0.59 0.72 -0.54 0.00 0.00 175.26 176.50 1pe4 n HIS 49 N 0.15 -1.72 0.00 5.30 8.25 0.17 -4.72 115.22 122.65 1pe4 n HIS 49 Ca -0.12 0.50 0.00 0.00 -0.26 0.00 0.00 57.72 57.85 1pe4 n HIS 49 Cb 0.56 -3.86 0.00 0.00 1.12 0.00 0.00 29.99 27.81 1pe4 n HIS 49 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 1pe4 n VAL 50 N -4.30 0.00 0.11 1.59 0.24 -1.15 -4.40 118.33 110.42 1pe4 n VAL 50 Ca -0.07 0.00 -0.04 0.00 -2.04 0.00 0.00 64.34 62.19 1pe4 n VAL 50 Cb 0.58 -0.61 -0.02 0.00 -1.47 0.00 0.00 33.84 32.32 1pe4 n VAL 50 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1pe4 h ALA 51 N 0.00 -0.93 -0.22 2.33 0.00 -1.65 0.33 119.26 119.13 1pe4 h ALA 51 Ca 0.00 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.72 1pe4 h ALA 51 Cb 0.66 0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.50 1pe4 h ALA 51 CO 0.00 -0.91 0.16 -1.91 0.00 0.00 0.00 179.25 176.59 1pe4 n GLU 52 N -2.86 1.31 0.15 0.00 2.13 -1.26 -4.28 120.64 115.82 1pe4 n GLU 52 Ca -0.04 -0.68 0.00 0.00 0.66 0.00 0.00 57.16 57.10 1pe4 n GLU 52 Cb 0.11 -1.27 0.00 0.00 0.27 0.00 0.00 31.44 30.55 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 0.40 -1.18 0.33 8.31 0.00 -1.19 -5.01 105.19 106.84 1pe4 n GLY 53 Ca 0.13 0.22 -0.02 0.00 0.00 0.00 0.00 46.02 46.36 1pe4 n GLY 53 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1pe4 n THR 54 N -3.22 0.00 -4.97 2.61 -2.24 0.12 -5.02 114.28 101.55 1pe4 n THR 54 Ca 0.00 -0.11 -0.29 0.00 -2.27 0.00 0.00 64.05 61.38 1pe4 n THR 54 Cb 0.00 -1.60 -0.15 0.00 -2.10 0.00 0.00 70.33 66.48 1pe4 n THR 54 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1pe4 s VAL 55 N -0.55 1.88 -0.17 2.28 1.01 -1.26 -4.65 120.40 118.95 1pe4 s VAL 55 Ca 0.06 -1.15 -0.05 0.00 0.00 0.00 0.00 61.98 60.84 1pe4 s VAL 55 Cb -0.00 -1.59 0.08 0.00 0.00 0.00 0.00 36.38 34.87 1pe4 s VAL 55 CO 0.04 0.41 0.33 -1.48 0.00 0.00 0.00 175.10 174.39 1pe4 s LEU 56 N -0.88 -0.44 -0.39 3.92 -0.00 -1.26 -4.99 118.68 114.63 1pe4 s LEU 56 Ca 0.09 0.63 0.10 0.00 -0.00 0.00 0.00 54.13 54.95 1pe4 s LEU 56 Cb -0.09 0.95 0.39 0.00 -0.00 0.00 0.00 46.19 47.44 1pe4 s LEU 56 CO 0.01 -0.25 1.24 0.79 -0.00 0.00 0.00 176.35 178.13 1pe4 n TRP 57 N 5.36 -1.79 -1.59 3.48 7.02 -1.26 -4.69 117.44 123.98 1pe4 n TRP 57 Ca -0.07 -2.16 -0.00 0.00 -1.02 0.00 0.00 57.50 54.25 1pe4 n TRP 57 Cb 0.50 1.19 -0.00 0.00 -2.42 0.00 0.00 31.31 30.58 1pe4 n TRP 57 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1pe4 n GLY 58 N -0.36 -2.98 0.00 6.99 0.00 0.28 -5.02 105.19 104.11 1pe4 n GLY 58 Ca 0.01 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1pe4 n GLY 58 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1pe4 n ASP 59 N 0.07 0.00 -0.03 1.61 -0.08 -1.11 -5.02 116.55 111.99 1pe4 n ASP 59 Ca -0.01 0.00 -0.15 0.00 -1.51 0.00 0.00 54.79 53.12 1pe4 n ASP 59 Cb 0.01 0.00 -0.10 0.00 2.34 0.00 0.00 41.12 43.37 1pe4 n ASP 59 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 1pe4 h SER 60 N 0.00 0.34 -2.92 1.67 0.02 -1.87 -3.36 113.55 107.42 1pe4 h SER 60 Ca 0.00 -0.70 -0.80 0.00 -0.84 0.00 0.00 61.79 59.46 1pe4 h SER 60 Cb 0.00 -0.10 -0.26 0.00 0.14 0.00 0.00 62.40 62.18 1pe4 h SER 60 CO 0.00 0.98 0.84 0.61 -1.14 0.00 0.00 176.83 178.12 1pe4 n GLY 61 N 0.83 4.72 3.86 -3.77 0.00 -1.26 -4.86 105.19 104.71 1pe4 n GLY 61 Ca -0.09 -2.54 -0.33 0.00 0.00 0.00 0.00 46.02 43.05 1pe4 n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1pe4 s THR 62 N -1.72 4.92 0.00 2.61 -4.23 -1.23 -3.41 115.64 112.57 1pe4 s THR 62 Ca 0.33 0.60 0.00 0.00 -1.18 0.00 0.00 61.69 61.44 1pe4 s THR 62 Cb 0.00 -3.67 0.00 0.00 1.34 0.00 0.00 72.50 70.18 1pe4 s THR 62 CO 0.03 0.09 0.00 0.61 -0.54 0.00 0.00 174.62 174.81 1pe4 n GLY 63 N 0.33 1.33 0.49 3.99 0.00 0.13 -2.77 105.19 108.68 1pe4 n GLY 63 Ca -0.03 0.00 0.40 0.00 0.00 0.00 0.00 46.02 46.39 1pe4 n GLY 63 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1pe4 n PRO 64 N 0.00 -0.02 0.47 1.61 -0.02 -1.13 0.15 135.00 136.06 1pe4 n PRO 64 Ca 0.00 1.05 -0.18 0.00 -2.02 0.00 0.00 63.50 62.35 1pe4 n PRO 64 Cb 0.00 -2.19 -0.09 0.00 -0.02 0.00 0.00 33.50 31.20 1pe4 n PRO 64 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1pe4 n ARG 66 N -5.57 0.00 0.00 0.00 0.00 0.40 -5.06 116.66 106.44 1pe4 n ARG 66 Ca -0.15 0.00 0.02 0.00 -0.00 0.00 0.00 57.85 57.72 1pe4 n ARG 66 Cb 0.47 0.00 0.14 0.00 0.00 0.00 0.00 32.46 33.07 1pe4 n ARG 66 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06