#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 -0.86 -3.04 0.55 8.00 -1.26 -1.10 116.55 118.84 1pe4 n ASP 2 Ca 0.00 0.21 -0.25 0.00 0.71 0.00 0.00 54.79 55.45 1pe4 n ASP 2 Cb 0.00 -1.33 -0.04 0.00 -0.02 0.00 0.00 41.12 39.72 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 0.83 5.12 0.57 0.44 0.00 0.80 -3.75 105.19 109.20 1pe4 n GLY 3 Ca 0.08 -2.58 0.06 0.00 0.00 0.00 0.00 46.02 43.59 1pe4 n GLY 3 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1pe4 n TYR 4 N 0.01 0.00 0.28 1.61 4.02 -1.26 -2.61 117.16 119.21 1pe4 n TYR 4 Ca 0.30 -1.15 0.12 0.00 -0.01 0.00 0.00 57.90 57.16 1pe4 n TYR 4 Cb 0.44 -0.20 0.19 0.00 -0.02 0.00 0.00 39.34 39.75 1pe4 n TYR 4 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1pe4 h PRO 5 N 0.67 0.00 -6.68 -0.72 0.13 -1.95 -3.48 132.00 119.98 1pe4 h PRO 5 Ca -0.03 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.56 1pe4 h PRO 5 Cb 1.14 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.14 1pe4 h PRO 5 CO 0.01 0.00 -0.89 1.47 -0.23 0.00 0.00 178.00 178.36 1pe4 n LEU 6 N -2.89 -1.84 -0.27 1.56 -0.00 -1.26 -4.83 117.00 107.47 1pe4 n LEU 6 Ca 0.04 -1.06 -0.07 0.00 -0.00 0.00 0.00 56.01 54.92 1pe4 n LEU 6 Cb 0.51 -2.06 -0.02 0.00 -0.00 0.00 0.00 43.42 41.85 1pe4 n LEU 6 CO 0.34 0.40 0.57 0.00 -0.00 0.00 0.00 177.39 178.70 1pe4 h ALA 7 N 0.85 -0.21 -1.83 1.47 0.00 -1.93 -3.35 119.26 114.26 1pe4 h ALA 7 Ca -0.63 0.15 -0.57 0.00 0.00 0.00 0.00 54.91 53.87 1pe4 h ALA 7 Cb 1.38 1.00 -0.05 0.00 0.00 0.00 0.00 17.79 20.13 1pe4 h ALA 7 CO 0.69 -0.78 1.08 -1.12 0.00 0.00 0.00 179.25 179.12 1pe4 s SER 8 N -5.24 6.34 0.66 0.00 0.01 -1.22 -4.86 113.70 109.38 1pe4 s SER 8 Ca -0.14 0.97 0.40 0.00 1.31 0.00 0.00 55.95 58.50 1pe4 s SER 8 Cb 0.15 -2.54 2.24 0.00 0.21 0.00 0.00 66.02 66.08 1pe4 s SER 8 CO 0.67 -1.41 2.30 -1.13 0.41 0.00 0.00 173.24 174.08 1pe4 h ASN 9 N 10.75 0.00 0.02 2.44 -0.00 -1.95 -2.72 115.58 124.12 1pe4 h ASN 9 Ca -0.28 0.00 -0.17 0.00 -0.00 0.00 0.00 56.30 55.84 1pe4 h ASN 9 Cb 1.11 0.00 -0.02 0.00 -0.00 0.00 0.00 38.32 39.41 1pe4 h ASN 9 CO 1.07 0.00 -0.93 1.23 -0.00 0.00 0.00 177.43 178.80 1pe4 h GLY 10 N 0.00 0.04 -4.88 1.57 0.00 -1.88 -3.40 103.07 94.52 1pe4 h GLY 10 Ca 0.00 -0.11 0.20 0.00 0.00 0.00 0.00 47.33 47.42 1pe4 h GLY 10 CO -0.00 0.09 0.84 0.00 0.00 0.00 0.00 176.54 177.48 1pe4 n LYS 12 N 0.65 0.00 0.00 0.00 5.02 -1.26 -1.27 118.16 121.30 1pe4 n LYS 12 Ca -0.03 0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.38 1pe4 n LYS 12 Cb 0.58 -0.60 0.00 0.00 -0.02 0.00 0.00 35.03 35.00 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 -2.30 0.00 0.00 2.13 3.72 -1.22 0.03 117.46 119.82 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 -2.62 2.38 1.37 0.00 -1.26 -4.00 105.19 106.06 1pe4 n GLY 14 Ca 0.00 -1.04 -0.00 0.00 0.00 0.00 0.00 46.02 44.97 1pe4 n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pe4 s SER 16 N -0.59 -1.21 0.05 0.00 0.15 -1.26 -0.83 113.70 110.01 1pe4 s SER 16 Ca -0.02 0.89 -0.18 0.00 0.70 0.00 0.00 55.95 57.34 1pe4 s SER 16 Cb 0.00 2.07 -0.08 0.00 -1.71 0.00 0.00 66.02 66.30 1pe4 s SER 16 CO 0.06 -0.23 1.28 1.23 1.20 0.00 0.00 173.24 176.78 1pe4 h GLY 17 N 7.98 -1.10 -4.87 9.45 0.00 -1.84 -2.82 103.07 109.87 1pe4 h GLY 17 Ca -0.21 0.52 -0.54 0.00 0.00 0.00 0.00 47.33 47.10 1pe4 h GLY 17 CO 0.19 -0.35 2.93 1.04 0.00 0.00 0.00 176.54 180.35 1pe4 n LEU 18 N -3.92 7.61 -3.91 3.11 7.99 -1.26 -4.82 117.00 121.80 1pe4 n LEU 18 Ca -0.05 -3.94 -0.11 0.00 -0.01 0.00 0.00 56.01 51.89 1pe4 n LEU 18 Cb 0.22 -1.46 0.01 0.00 -0.11 0.00 0.00 43.42 42.07 1pe4 n LEU 18 CO 0.10 1.81 0.40 -0.83 -1.51 0.00 0.00 177.39 177.37 1pe4 s GLY 19 N 2.29 0.84 0.00 -0.72 0.00 -1.07 -4.57 107.32 104.10 1pe4 s GLY 19 Ca 0.65 -1.08 0.00 0.00 0.00 0.00 0.00 44.72 44.29 1pe4 s GLY 19 CO -0.05 -0.58 0.00 1.18 0.00 0.00 0.00 173.10 173.66 1pe4 n GLU 20 N -0.56 1.22 -2.40 2.90 1.02 -1.26 -4.92 120.64 116.64 1pe4 n GLU 20 Ca -0.05 0.00 -0.37 0.00 -0.02 0.00 0.00 57.16 56.72 1pe4 n GLU 20 Cb 0.60 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.99 1pe4 n GLU 20 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1pe4 s ASN 21 N -1.00 6.06 -0.56 1.62 2.47 -1.26 -4.83 114.94 117.44 1pe4 s ASN 21 Ca 0.00 -1.17 0.04 0.00 0.42 0.00 0.00 52.86 52.15 1pe4 s ASN 21 Cb 0.00 -2.57 0.38 0.00 -1.45 0.00 0.00 41.25 37.61 1pe4 s ASN 21 CO 0.00 -1.91 1.16 -0.46 -3.72 0.00 0.00 177.10 172.18 1pe4 n ASN 22 N 10.51 5.01 0.00 -4.21 2.04 -1.26 -4.83 115.26 122.52 1pe4 n ASN 22 Ca 0.34 -3.72 0.02 0.00 -0.44 0.00 0.00 54.58 50.79 1pe4 n ASN 22 Cb 0.50 -0.59 0.11 0.00 -2.53 0.00 0.00 39.78 37.27 1pe4 n ASN 22 CO 0.00 0.00 0.00 -0.81 -0.44 0.00 0.00 177.26 176.01 1pe4 n PRO 23 N -0.37 0.97 0.07 -0.53 -0.04 -1.26 -0.75 135.00 133.08 1pe4 n PRO 23 Ca 0.38 0.00 0.21 0.00 -0.04 0.00 0.00 63.50 64.05 1pe4 n PRO 23 Cb 0.50 -1.06 0.70 0.00 -0.04 0.00 0.00 33.50 33.60 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 0.00 0.29 -1.46 0.52 2.02 -1.96 -1.63 112.91 110.68 1pe4 h THR 24 Ca 0.00 0.00 0.44 0.00 0.77 0.00 0.00 66.41 67.62 1pe4 h THR 24 Cb 0.00 0.55 -0.09 0.00 -1.74 0.00 0.00 68.15 66.87 1pe4 h THR 24 CO 0.00 0.00 1.01 0.00 0.37 0.00 0.00 175.52 176.90 1pe4 h ASN 26 N 0.07 -0.35 -0.69 0.00 2.35 -1.66 -2.71 115.58 112.59 1pe4 h ASN 26 Ca 0.78 0.01 0.02 0.00 -0.55 0.00 0.00 56.30 56.56 1pe4 h ASN 26 Cb 2.77 0.09 -0.04 0.00 0.05 0.00 0.00 38.32 41.20 1pe4 h ASN 26 CO -0.20 -0.17 0.44 0.45 -1.65 0.00 0.00 177.43 176.30 1pe4 h HIS 27 N -0.57 0.84 -0.45 1.19 3.86 -1.43 -2.72 115.15 115.87 1pe4 h HIS 27 Ca -0.04 0.02 0.09 0.00 -1.16 0.00 0.00 60.37 59.28 1pe4 h HIS 27 Cb 0.32 -0.28 -0.10 0.00 1.06 0.00 0.00 27.41 28.41 1pe4 h HIS 27 CO 0.08 0.50 -0.23 0.28 0.86 0.00 0.00 177.93 179.43 1pe4 h VAL 28 N 0.89 0.35 -0.11 2.45 2.07 -0.32 0.41 116.25 121.99 1pe4 h VAL 28 Ca 0.26 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.78 1pe4 h VAL 28 Cb -0.05 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.07 1pe4 h VAL 28 CO -0.08 0.00 0.07 0.00 0.02 0.00 0.00 177.57 177.58 1pe4 n GLU 30 N -4.99 0.93 0.00 0.00 0.28 -0.80 0.11 120.64 116.17 1pe4 n GLU 30 Ca -0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.95 1pe4 n GLU 30 Cb 0.05 -1.36 0.00 0.00 1.43 0.00 0.00 31.44 31.56 1pe4 n GLU 30 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1pe4 n LYS 31 N -0.86 0.00 0.09 3.44 3.00 0.14 -3.97 118.16 120.01 1pe4 n LYS 31 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.47 1pe4 n LYS 31 Cb 0.07 -0.28 -0.03 0.00 0.00 0.00 0.00 35.03 34.79 1pe4 n LYS 31 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.40 178.97 1pe4 h LYS 32 N 0.00 0.00 0.00 1.64 2.10 -1.60 -3.26 116.57 115.45 1pe4 h LYS 32 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1pe4 h LYS 32 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1pe4 h LYS 32 CO 0.00 0.48 -1.23 0.00 -2.00 0.00 0.00 179.45 176.71 1pe4 n ALA 33 N -2.30 3.76 -2.48 0.07 0.00 -0.86 -4.89 120.51 113.80 1pe4 n ALA 33 Ca -0.03 -0.50 -0.03 0.00 0.00 0.00 0.00 53.44 52.88 1pe4 n ALA 33 Cb 0.80 -0.85 -0.00 0.00 0.00 0.00 0.00 19.45 19.40 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 1.39 -0.50 3.12 0.00 0.00 0.30 -4.83 105.19 104.68 1pe4 n GLY 34 Ca 0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 1pe4 n GLY 34 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pe4 s SER 35 N -2.00 1.08 -0.48 1.61 1.04 -0.45 -4.87 113.70 109.63 1pe4 s SER 35 Ca 0.00 -0.72 0.03 0.00 0.48 0.00 0.00 55.95 55.74 1pe4 s SER 35 Cb 0.00 0.04 0.61 0.00 0.10 0.00 0.00 66.02 66.77 1pe4 s SER 35 CO 0.00 -0.27 1.93 -0.90 0.98 0.00 0.00 173.24 174.97 1pe4 n ASP 36 N 0.91 4.55 -4.25 7.02 5.68 -1.26 -2.98 116.55 126.22 1pe4 n ASP 36 Ca -0.19 -3.61 -0.43 0.00 -0.50 0.00 0.00 54.79 50.06 1pe4 n ASP 36 Cb 0.57 -0.86 -0.06 0.00 -1.14 0.00 0.00 41.12 39.62 1pe4 n ASP 36 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 1pe4 s TYR 37 N -3.33 3.49 0.09 2.11 5.04 -1.26 -5.05 117.35 118.44 1pe4 s TYR 37 Ca 0.57 -1.94 0.06 0.00 -2.44 0.00 0.00 57.07 53.33 1pe4 s TYR 37 Cb 0.48 -3.61 -0.03 0.00 0.35 0.00 0.00 41.96 39.15 1pe4 s TYR 37 CO 0.08 -0.97 -0.17 0.20 -1.34 0.00 0.00 175.55 173.35 1pe4 s GLY 38 N 2.37 1.04 -0.14 8.97 0.00 -1.26 -1.56 107.32 116.74 1pe4 s GLY 38 Ca 0.11 -1.14 -0.02 0.00 0.00 0.00 0.00 44.72 43.67 1pe4 s GLY 38 CO -0.03 -1.16 0.00 -0.47 0.00 0.00 0.00 173.10 171.44 1pe4 s TYR 39 N -1.35 1.02 -0.17 1.90 5.04 -0.89 -4.93 117.35 117.95 1pe4 s TYR 39 Ca 0.03 -0.62 0.00 0.00 -2.44 0.00 0.00 57.07 54.04 1pe4 s TYR 39 Cb -0.09 -1.00 0.03 0.00 0.35 0.00 0.00 41.96 41.26 1pe4 s TYR 39 CO 0.03 -0.50 -0.11 0.00 -1.34 0.00 0.00 175.55 173.63 1pe4 n TYR 41 N 4.75 -0.44 -0.66 0.00 9.36 -1.26 -5.07 117.16 123.85 1pe4 n TYR 41 Ca -0.15 0.08 0.00 0.00 3.32 0.00 0.00 57.90 61.15 1pe4 n TYR 41 Cb 0.48 0.12 0.00 0.00 -0.63 0.00 0.00 39.34 39.31 1pe4 n TYR 41 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1pe4 n ALA 42 N -3.37 0.00 -1.81 2.98 0.00 -1.26 -4.93 120.51 112.11 1pe4 n ALA 42 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.04 1pe4 n ALA 42 Cb 0.08 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.52 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 2.72 -3.79 0.00 8.01 -1.26 -4.54 117.44 118.58 1pe4 n TRP 43 Ca 0.00 -2.92 0.04 0.00 -1.31 0.00 0.00 57.50 53.30 1pe4 n TRP 43 Cb 0.00 -2.15 0.00 0.00 -2.01 0.00 0.00 31.31 27.15 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 0.71 0.00 0.00 -0.99 -1.32 -0.01 -3.85 115.64 110.19 1pe4 s THR 44 Ca 0.55 -0.07 0.03 0.00 -1.21 0.00 0.00 61.69 60.99 1pe4 s THR 44 Cb 0.16 -2.47 -0.01 0.00 -1.51 0.00 0.00 72.50 68.68 1pe4 s THR 44 CO -0.07 0.00 -0.08 0.00 -2.21 0.00 0.00 174.62 172.26 1pe4 s TYR 46 N -0.38 2.56 0.17 0.00 1.51 0.17 -3.40 117.35 117.98 1pe4 s TYR 46 Ca 0.01 -0.58 -0.24 0.00 -1.01 0.00 0.00 57.07 55.25 1pe4 s TYR 46 Cb -0.04 -2.02 0.06 0.00 -0.11 0.00 0.00 41.96 39.84 1pe4 s TYR 46 CO -0.00 0.04 0.84 0.00 -1.11 0.00 0.00 175.55 175.32 1pe4 s GLU 48 N -3.50 1.88 -1.59 0.00 2.12 -0.60 -0.14 118.70 116.87 1pe4 s GLU 48 Ca 0.09 -1.14 0.00 0.00 0.36 0.00 0.00 54.97 54.28 1pe4 s GLU 48 Cb -0.03 -2.17 0.00 0.00 0.26 0.00 0.00 34.13 32.20 1pe4 s GLU 48 CO 0.00 0.49 0.00 0.72 -0.54 0.00 0.00 175.26 175.93 1pe4 n HIS 49 N 0.74 -0.33 -0.06 5.30 8.25 -0.26 -4.75 115.22 124.11 1pe4 n HIS 49 Ca -0.15 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.26 1pe4 n HIS 49 Cb 0.53 -3.04 -0.11 0.00 1.12 0.00 0.00 29.99 28.49 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 -3.16 0.86 1.39 1.59 0.24 -1.20 -4.40 118.33 113.65 1pe4 n VAL 50 Ca -0.18 -0.56 0.04 0.00 -2.04 0.00 0.00 64.34 61.60 1pe4 n VAL 50 Cb 0.58 -0.57 0.11 0.00 -1.47 0.00 0.00 33.84 32.49 1pe4 n VAL 50 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1pe4 n ALA 51 N -2.46 2.47 -1.25 2.33 0.00 -1.24 -3.59 120.51 116.77 1pe4 n ALA 51 Ca -0.21 -0.34 -0.36 0.00 0.00 0.00 0.00 53.44 52.54 1pe4 n ALA 51 Cb 0.90 -1.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.31 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 0.05 3.48 0.00 0.00 2.13 -1.26 -4.40 120.64 120.65 1pe4 n GLU 52 Ca 0.07 -2.06 0.00 0.00 0.66 0.00 0.00 57.16 55.83 1pe4 n GLU 52 Cb 0.17 -2.72 0.00 0.00 0.27 0.00 0.00 31.44 29.16 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 3.51 3.08 1.80 8.31 0.00 -1.26 -5.00 105.19 115.63 1pe4 n GLY 53 Ca 0.74 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.59 1pe4 n GLY 53 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1pe4 n THR 54 N -0.91 0.00 -3.45 2.61 -1.04 -1.24 -5.03 114.28 105.21 1pe4 n THR 54 Ca 0.00 -0.02 -0.20 0.00 -2.04 0.00 0.00 64.05 61.79 1pe4 n THR 54 Cb 0.00 -0.60 -0.00 0.00 -1.82 0.00 0.00 70.33 67.91 1pe4 n THR 54 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 1pe4 s VAL 55 N -1.66 4.25 -0.44 12.58 -7.23 -1.26 -4.87 120.40 121.78 1pe4 s VAL 55 Ca 0.38 -0.90 0.05 0.00 -1.81 0.00 0.00 61.98 59.70 1pe4 s VAL 55 Cb -0.06 -3.49 0.19 0.00 0.56 0.00 0.00 36.38 33.57 1pe4 s VAL 55 CO 0.32 -0.22 0.73 -0.22 -0.31 0.00 0.00 175.10 175.40 1pe4 s LEU 56 N -4.21 -1.31 0.00 1.32 2.96 -1.26 -4.88 118.68 111.29 1pe4 s LEU 56 Ca 0.44 -1.02 0.09 0.00 -0.22 0.00 0.00 54.13 53.41 1pe4 s LEU 56 Cb -0.10 1.70 0.14 0.00 0.50 0.00 0.00 46.19 48.43 1pe4 s LEU 56 CO 0.32 -0.11 0.98 0.79 -1.32 0.00 0.00 176.35 177.01 1pe4 n TRP 57 N 3.73 0.00 0.00 5.38 5.03 -1.26 -3.43 117.44 126.88 1pe4 n TRP 57 Ca 0.13 -0.24 0.00 0.00 3.03 0.00 0.00 57.50 60.42 1pe4 n TRP 57 Cb 0.58 0.05 0.00 0.00 -1.03 0.00 0.00 31.31 30.90 1pe4 n TRP 57 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 1pe4 n GLY 58 N 0.17 2.33 0.00 6.99 0.00 -0.40 -4.84 105.19 109.44 1pe4 n GLY 58 Ca -0.02 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.74 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 0.00 0.00 -0.11 1.61 2.03 0.10 -4.87 116.55 115.31 1pe4 n ASP 59 Ca 0.00 0.00 -0.14 0.00 0.52 0.00 0.00 54.79 55.17 1pe4 n ASP 59 Cb 0.00 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.29 1pe4 n ASP 59 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1pe4 n SER 60 N 0.00 1.78 0.00 1.67 2.88 -1.26 -4.37 113.62 114.32 1pe4 n SER 60 Ca 0.00 -0.09 0.11 0.00 -1.33 0.00 0.00 58.87 57.56 1pe4 n SER 60 Cb 0.00 -0.00 0.49 0.00 -0.75 0.00 0.00 64.21 63.94 1pe4 n SER 60 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1pe4 n GLY 61 N 2.27 -1.30 3.52 0.46 0.00 -1.26 -4.85 105.19 104.03 1pe4 n GLY 61 Ca -0.37 -0.07 -0.29 0.00 0.00 0.00 0.00 46.02 45.29 1pe4 n GLY 61 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1pe4 s THR 62 N -3.01 2.02 0.00 2.61 -1.32 -1.26 -4.21 115.64 110.48 1pe4 s THR 62 Ca 0.11 0.01 0.00 0.00 -1.21 0.00 0.00 61.69 60.60 1pe4 s THR 62 Cb 0.15 -2.04 0.00 0.00 -1.51 0.00 0.00 72.50 69.10 1pe4 s THR 62 CO 0.42 -0.01 0.00 0.61 -2.21 0.00 0.00 174.62 173.43 1pe4 n GLY 63 N 0.76 1.39 0.83 6.08 0.00 -1.26 -4.64 105.19 108.35 1pe4 n GLY 63 Ca 0.05 -0.75 0.04 0.00 0.00 0.00 0.00 46.02 45.35 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 2.18 0.00 1.61 -0.04 -1.26 -4.68 135.00 132.81 1pe4 n PRO 64 Ca 0.00 -1.18 0.00 0.00 -0.04 0.00 0.00 63.50 62.28 1pe4 n PRO 64 Cb 0.00 -1.55 0.00 0.00 -0.04 0.00 0.00 33.50 31.91 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 1.56 0.00 0.00 0.52 -0.29 -4.77 118.95 115.97 1pe4 s ARG 66 Ca 0.00 -1.66 0.29 0.00 -0.52 0.00 0.00 55.73 53.84 1pe4 s ARG 66 Cb 0.00 -1.65 1.18 0.00 0.52 0.00 0.00 34.95 35.00 1pe4 s ARG 66 CO 0.00 0.32 1.82 -1.13 0.02 0.00 0.00 175.30 176.33