#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1de2 n PHE 2 N 0.00 0.90 -3.38 1.12 3.72 -1.26 -3.78 117.46 114.78 1de2 n PHE 2 Ca 0.00 1.07 -0.38 0.00 -0.05 0.00 0.00 57.45 58.08 1de2 n PHE 2 Cb 0.00 -2.09 -0.08 0.00 -0.94 0.00 0.00 39.48 36.37 1de2 n PHE 2 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1de2 s LYS 3 N 0.71 4.13 -0.27 -1.08 3.01 0.19 0.16 119.74 126.59 1de2 s LYS 3 Ca 0.93 0.17 -0.04 0.00 -1.01 0.00 0.00 55.97 56.02 1de2 s LYS 3 Cb -1.31 -3.57 0.02 0.00 -1.01 0.00 0.00 37.83 31.96 1de2 s LYS 3 CO 0.62 -0.11 0.01 0.08 0.51 0.00 0.00 175.35 176.46 1de2 s VAL 4 N 1.54 3.39 -0.61 3.17 1.01 -0.17 -0.04 120.40 128.68 1de2 s VAL 4 Ca 0.18 -0.90 -0.20 0.00 0.00 0.00 0.00 61.98 61.07 1de2 s VAL 4 Cb -0.15 -2.75 0.10 0.00 0.00 0.00 0.00 36.38 33.58 1de2 s VAL 4 CO 0.08 0.12 0.77 -0.31 0.00 0.00 0.00 175.10 175.76 1de2 s TYR 5 N 1.40 2.93 0.00 5.22 2.02 0.34 -1.56 117.35 127.69 1de2 s TYR 5 Ca 0.01 -0.88 0.00 0.00 -0.37 0.00 0.00 57.07 55.83 1de2 s TYR 5 Cb -0.17 -4.08 0.00 0.00 -0.40 0.00 0.00 41.96 37.31 1de2 s TYR 5 CO -0.01 -1.38 0.00 0.41 -1.57 0.00 0.00 175.55 173.00 1de2 n GLY 6 N 5.29 3.76 3.37 0.71 0.00 -1.08 -0.19 105.19 117.05 1de2 n GLY 6 Ca -0.08 -0.19 -0.19 0.00 0.00 0.00 0.00 46.02 45.56 1de2 n GLY 6 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1de2 s TYR 7 N 0.67 1.79 -0.03 1.61 2.02 -1.26 -2.75 117.35 119.41 1de2 s TYR 7 Ca 0.00 -0.55 -0.02 0.00 -0.37 0.00 0.00 57.07 56.13 1de2 s TYR 7 Cb 0.00 -0.84 -0.01 0.00 -0.40 0.00 0.00 41.96 40.72 1de2 s TYR 7 CO 0.00 0.39 -0.03 -0.44 -1.57 0.00 0.00 175.55 173.91 1de2 h ASP 8 N 2.51 0.00 0.00 2.29 5.19 -1.93 -3.47 116.42 121.01 1de2 h ASP 8 Ca -0.38 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.03 1de2 h ASP 8 Cb 1.23 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.74 1de2 h ASP 8 CO 0.62 0.14 0.00 -1.54 -3.12 0.00 0.00 179.24 175.34 1de2 n SER 9 N -2.68 0.00 0.06 6.45 3.41 -1.10 -4.83 113.62 114.93 1de2 n SER 9 Ca -0.01 0.00 -0.20 0.00 -0.26 0.00 0.00 58.87 58.40 1de2 n SER 9 Cb 0.04 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 63.89 1de2 n SER 9 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 1de2 h ASN 10 N 0.00 0.85 0.05 4.04 -1.24 -2.00 -3.38 115.58 113.91 1de2 h ASN 10 Ca 0.00 -0.72 -0.28 0.00 0.71 0.00 0.00 56.30 56.01 1de2 h ASN 10 Cb 0.00 -0.26 -0.03 0.00 0.73 0.00 0.00 38.32 38.76 1de2 h ASN 10 CO 0.00 1.52 -1.53 0.40 -1.29 0.00 0.00 177.43 176.53 1de2 h ILE 11 N 0.33 0.82 -3.91 2.57 1.08 -1.94 -3.49 117.51 112.97 1de2 h ILE 11 Ca -0.14 -2.24 -0.17 0.00 -0.39 0.00 0.00 64.86 61.91 1de2 h ILE 11 Cb 1.76 2.34 -0.21 0.00 -3.07 0.00 0.00 36.82 37.64 1de2 h ILE 11 CO 0.21 0.53 -0.67 -2.28 -0.69 0.00 0.00 178.15 175.25 1de2 s HIS 12 N -2.44 0.22 0.69 1.37 2.46 -1.26 -4.69 115.29 111.65 1de2 s HIS 12 Ca -0.26 -0.46 -0.11 0.00 0.47 0.00 0.00 55.06 54.69 1de2 s HIS 12 Cb 0.06 -0.17 0.00 0.00 -0.13 0.00 0.00 32.58 32.35 1de2 s HIS 12 CO 0.66 -0.20 1.06 0.21 -2.47 0.00 0.00 174.74 174.00 1de2 s LYS 13 N -1.42 3.00 -0.30 2.88 2.20 -1.26 -2.72 119.74 122.12 1de2 s LYS 13 Ca -0.16 0.76 -0.13 0.00 -0.36 0.00 0.00 55.97 56.09 1de2 s LYS 13 Cb -0.09 -2.01 0.18 0.00 -1.51 0.00 0.00 37.83 34.40 1de2 s LYS 13 CO -0.01 -1.00 1.10 0.00 -0.36 0.00 0.00 175.35 175.08 1de2 h VAL 15 N 4.13 1.52 0.00 0.00 -1.51 -1.98 -3.22 116.25 115.19 1de2 h VAL 15 Ca -0.09 -2.84 -0.06 0.00 -1.23 0.00 0.00 66.70 62.48 1de2 h VAL 15 Cb 1.19 2.66 -0.01 0.00 -2.13 0.00 0.00 31.29 32.99 1de2 h VAL 15 CO -0.12 0.83 -0.27 1.88 -1.23 0.00 0.00 177.57 178.66 1de2 h TYR 16 N 0.10 0.00 -0.27 5.19 0.05 -1.97 -2.89 116.97 117.18 1de2 h TYR 16 Ca -0.07 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.70 1de2 h TYR 16 Cb 1.69 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 39.42 1de2 h TYR 16 CO 0.04 0.27 0.12 0.00 -1.05 0.00 0.00 178.16 177.54 1de2 h ASP 18 N 0.30 0.12 0.16 0.00 3.58 -1.61 -1.82 116.42 117.14 1de2 h ASP 18 Ca 0.09 -0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.53 1de2 h ASP 18 Cb 0.14 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.16 1de2 h ASP 18 CO -0.01 0.09 -0.07 0.78 -2.88 0.00 0.00 179.24 177.14 1de2 h ASN 19 N 0.14 -0.18 -0.35 2.28 -0.26 -1.38 -1.51 115.58 114.33 1de2 h ASN 19 Ca 0.07 -0.36 0.06 0.00 -0.56 0.00 0.00 56.30 55.51 1de2 h ASN 19 Cb 0.10 0.05 -0.06 0.00 -1.06 0.00 0.00 38.32 37.35 1de2 h ASN 19 CO -0.01 0.34 -0.00 0.00 -1.06 0.00 0.00 177.43 176.69 1de2 h ALA 20 N -0.12 0.31 0.00 -0.83 0.00 -1.09 0.64 119.26 118.18 1de2 h ALA 20 Ca -0.02 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1de2 h ALA 20 Cb 0.53 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1de2 h ALA 20 CO 0.04 -0.40 -0.00 -0.22 0.00 0.00 0.00 179.25 178.66 1de2 h LYS 21 N 0.09 -0.00 -0.73 0.00 3.64 -1.42 0.05 116.57 118.20 1de2 h LYS 21 Ca 0.17 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.56 1de2 h LYS 21 Cb 0.23 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.02 1de2 h LYS 21 CO -0.29 -0.00 0.48 -0.09 -2.27 0.00 0.00 179.45 177.28 1de2 h ARG 22 N -0.00 0.97 0.21 1.90 9.65 -0.75 -0.10 114.38 126.26 1de2 h ARG 22 Ca -0.00 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.82 1de2 h ARG 22 Cb 0.00 -0.22 -0.02 0.00 -1.39 0.00 0.00 29.97 28.35 1de2 h ARG 22 CO 0.00 0.65 -0.23 1.25 2.80 0.00 0.00 179.97 184.44 1de2 h LEU 23 N 1.00 -0.62 -0.78 3.80 6.46 0.64 0.18 115.31 125.98 1de2 h LEU 23 Ca 0.27 0.06 0.06 0.00 -0.12 0.00 0.00 57.88 58.15 1de2 h LEU 23 Cb -0.11 0.22 -0.06 0.00 -0.73 0.00 0.00 40.66 39.98 1de2 h LEU 23 CO -0.06 -0.34 0.46 -0.07 -0.62 0.00 0.00 178.44 177.82 1de2 h LEU 24 N -0.48 0.71 -1.20 2.25 3.38 -0.70 0.76 115.31 120.03 1de2 h LEU 24 Ca 0.00 0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.02 1de2 h LEU 24 Cb 0.46 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.04 1de2 h LEU 24 CO -0.06 0.45 0.55 0.74 0.09 0.00 0.00 178.44 180.21 1de2 h THR 25 N 0.84 1.16 0.01 0.22 2.02 -0.50 0.18 112.91 116.84 1de2 h THR 25 Ca 0.35 -0.37 -0.22 0.00 0.77 0.00 0.00 66.41 66.94 1de2 h THR 25 Cb 0.19 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 66.60 1de2 h THR 25 CO -0.18 0.19 -0.94 0.58 0.37 0.00 0.00 175.52 175.54 1de2 h VAL 26 N 1.07 1.46 0.00 3.16 2.07 0.76 -3.03 116.25 121.74 1de2 h VAL 26 Ca 0.32 -2.61 0.00 0.00 0.82 0.00 0.00 66.70 65.23 1de2 h VAL 26 Cb -0.02 2.50 0.00 0.00 -1.52 0.00 0.00 31.29 32.25 1de2 h VAL 26 CO -0.09 0.77 0.00 0.29 0.02 0.00 0.00 177.57 178.56 1de2 n LYS 27 N -3.67 0.01 -3.02 1.57 4.01 0.25 -4.92 118.16 112.39 1de2 n LYS 27 Ca -0.05 0.10 -0.12 0.00 -0.51 0.00 0.00 58.31 57.72 1de2 n LYS 27 Cb 0.84 -1.50 0.06 0.00 -0.51 0.00 0.00 35.03 33.93 1de2 n LYS 27 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1de2 n LYS 28 N -1.49 -4.38 -3.60 1.97 4.76 0.52 -5.04 118.16 110.91 1de2 n LYS 28 Ca 0.06 0.63 -0.20 0.00 -2.87 0.00 0.00 58.31 55.93 1de2 n LYS 28 Cb 0.27 -4.96 -0.15 0.00 -1.84 0.00 0.00 35.03 28.35 1de2 n LYS 28 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1de2 s GLN 29 N -4.85 0.08 0.99 1.97 -1.52 -0.67 -5.05 119.66 110.61 1de2 s GLN 29 Ca 0.06 0.24 -0.13 0.00 -1.95 0.00 0.00 55.36 53.58 1de2 s GLN 29 Cb -0.01 -1.05 0.15 0.00 -0.22 0.00 0.00 33.01 31.88 1de2 s GLN 29 CO 0.54 -0.53 0.26 -2.30 -0.25 0.00 0.00 175.29 173.02 1de2 n PRO 30 N 5.31 -2.10 -3.80 2.91 -0.02 -1.26 -4.53 135.00 131.50 1de2 n PRO 30 Ca -0.05 -0.62 -0.05 0.00 -2.02 0.00 0.00 63.50 60.75 1de2 n PRO 30 Cb 0.50 -1.45 -0.01 0.00 -0.02 0.00 0.00 33.50 32.51 1de2 n PRO 30 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 1de2 s PHE 31 N -2.07 -0.14 -0.17 6.00 -0.71 -1.26 -4.38 117.98 115.25 1de2 s PHE 31 Ca 0.35 -0.24 -0.02 0.00 -1.04 0.00 0.00 56.93 55.98 1de2 s PHE 31 Cb -0.06 0.68 0.05 0.00 -1.21 0.00 0.00 43.02 42.48 1de2 s PHE 31 CO 0.34 -1.01 0.02 -2.00 -1.34 0.00 0.00 175.22 171.23 1de2 s GLU 32 N -3.46 0.69 0.37 1.99 2.56 0.42 -4.73 118.70 116.54 1de2 s GLU 32 Ca 0.12 -0.32 -0.07 0.00 0.00 0.00 0.00 54.97 54.70 1de2 s GLU 32 Cb -0.03 -1.88 -0.05 0.00 2.00 0.00 0.00 34.13 34.17 1de2 s GLU 32 CO 0.04 -0.56 0.68 0.12 -0.56 0.00 0.00 175.26 174.98 1de2 s PHE 33 N 1.87 3.49 -0.16 5.30 5.36 -1.26 -1.00 117.98 131.57 1de2 s PHE 33 Ca 0.00 0.81 -0.07 0.00 -0.96 0.00 0.00 56.93 56.72 1de2 s PHE 33 Cb -0.16 -2.26 0.07 0.00 -0.34 0.00 0.00 43.02 40.33 1de2 s PHE 33 CO -0.07 -0.02 0.37 0.42 -1.46 0.00 0.00 175.22 174.45 1de2 s ILE 34 N -2.33 -0.27 -0.15 3.12 1.01 -0.60 -4.84 121.20 117.14 1de2 s ILE 34 Ca 0.47 0.15 -0.21 0.00 0.00 0.00 0.00 60.65 61.06 1de2 s ILE 34 Cb -0.10 -0.57 -0.03 0.00 0.01 0.00 0.00 42.46 41.77 1de2 s ILE 34 CO 0.33 0.06 0.64 0.54 0.00 0.00 0.00 174.94 176.51 1de2 s ASN 35 N 1.90 6.78 -0.15 3.58 4.22 -1.26 -2.63 114.94 127.37 1de2 s ASN 35 Ca -0.06 0.94 0.11 0.00 -2.14 0.00 0.00 52.86 51.72 1de2 s ASN 35 Cb -0.10 -2.36 0.59 0.00 1.28 0.00 0.00 41.25 40.65 1de2 s ASN 35 CO -0.11 -0.20 1.42 2.30 -2.04 0.00 0.00 177.10 178.46 1de2 n ILE 36 N 4.31 1.85 -3.23 0.54 -5.35 -1.11 -4.63 119.36 111.74 1de2 n ILE 36 Ca -0.02 -0.99 -0.02 0.00 -0.27 0.00 0.00 62.75 61.45 1de2 n ILE 36 Cb 0.50 -0.24 -0.02 0.00 -1.74 0.00 0.00 39.64 38.14 1de2 n ILE 36 CO 0.00 0.00 0.00 -0.32 -1.76 0.00 0.00 176.55 174.47 1de2 s MET 37 N -2.15 0.77 0.53 6.28 0.00 -1.26 0.20 119.30 123.67 1de2 s MET 37 Ca 0.40 -0.32 0.30 0.00 0.00 0.00 0.00 55.69 56.06 1de2 s MET 37 Cb 0.29 -0.04 1.48 0.00 0.00 0.00 0.00 34.83 36.56 1de2 s MET 37 CO 0.14 -1.18 2.06 -1.00 0.00 0.00 0.00 175.02 175.03 1de2 h PRO 38 N 7.07 0.00 -3.89 4.11 0.13 -1.82 -3.43 132.00 134.17 1de2 h PRO 38 Ca 0.05 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.96 1de2 h PRO 38 Cb 1.16 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.03 1de2 h PRO 38 CO 0.12 0.10 -0.72 -1.21 -0.23 0.00 0.00 178.00 176.07 1de2 s GLU 39 N -4.03 0.16 0.00 0.86 0.41 -1.25 -5.01 118.70 109.84 1de2 s GLU 39 Ca -0.02 -0.26 0.06 0.00 -0.41 0.00 0.00 54.97 54.35 1de2 s GLU 39 Cb 0.12 -0.00 0.30 0.00 -1.78 0.00 0.00 34.13 32.77 1de2 s GLU 39 CO 0.56 -0.01 1.14 1.17 -0.49 0.00 0.00 175.26 177.63 1de2 n LYS 40 N 2.48 0.04 0.10 1.61 4.81 -1.26 -2.16 118.16 123.78 1de2 n LYS 40 Ca -0.17 0.31 -0.20 0.00 -0.87 0.00 0.00 58.31 57.38 1de2 n LYS 40 Cb 0.58 -1.50 -0.15 0.00 0.02 0.00 0.00 35.03 33.98 1de2 n LYS 40 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 1de2 h GLY 41 N 1.08 0.43 -4.25 3.14 0.00 -1.95 -3.48 103.07 98.05 1de2 h GLY 41 Ca 0.00 -1.09 -0.11 0.00 0.00 0.00 0.00 47.33 46.13 1de2 h GLY 41 CO 0.00 0.96 -0.24 0.14 0.00 0.00 0.00 176.54 177.40 1de2 s VAL 42 N -2.61 0.06 0.88 4.60 1.01 -0.92 -5.17 120.40 118.26 1de2 s VAL 42 Ca -0.10 -0.52 -0.12 0.00 0.00 0.00 0.00 61.98 61.24 1de2 s VAL 42 Cb 0.06 -0.74 0.12 0.00 0.00 0.00 0.00 36.38 35.81 1de2 s VAL 42 CO 0.89 -0.29 1.13 -0.36 0.00 0.00 0.00 175.10 176.47 1de2 s PHE 43 N -1.75 2.60 -0.54 5.22 0.40 -1.26 -3.90 117.98 118.75 1de2 s PHE 43 Ca -0.10 0.90 -0.19 0.00 -0.60 0.00 0.00 56.93 56.94 1de2 s PHE 43 Cb -0.03 -3.34 0.08 0.00 0.51 0.00 0.00 43.02 40.23 1de2 s PHE 43 CO 0.02 -2.22 0.64 0.34 0.70 0.00 0.00 175.22 174.70 1de2 s ASP 44 N -4.04 6.20 0.52 1.36 -1.08 0.54 -4.81 116.67 115.36 1de2 s ASP 44 Ca 0.63 -1.15 0.31 0.00 -0.52 0.00 0.00 52.55 51.82 1de2 s ASP 44 Cb -0.14 -2.29 1.29 0.00 -1.46 0.00 0.00 42.92 40.32 1de2 s ASP 44 CO 0.53 -0.96 1.96 -0.78 0.52 0.00 0.00 175.17 176.45 1de2 h ASP 45 N 9.05 0.00 0.46 -0.34 1.82 -1.95 -1.52 116.42 123.94 1de2 h ASP 45 Ca -0.28 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.33 1de2 h ASP 45 Cb 1.09 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.11 1de2 h ASP 45 CO 1.01 0.08 -0.22 -0.33 -1.61 0.00 0.00 179.24 178.17 1de2 h GLU 46 N 0.00 -0.60 -0.23 0.28 5.08 -1.96 0.29 114.58 117.45 1de2 h GLU 46 Ca -0.00 0.04 -0.14 0.00 -1.00 0.00 0.00 59.36 58.26 1de2 h GLU 46 Cb 0.54 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 1de2 h GLU 46 CO 0.01 -0.29 -0.44 0.87 -1.00 0.00 0.00 179.01 178.16 1de2 h LYS 47 N -0.99 0.57 0.00 2.33 6.56 -1.89 -2.74 116.57 120.41 1de2 h LYS 47 Ca -0.06 -0.31 -0.07 0.00 -1.06 0.00 0.00 60.65 59.15 1de2 h LYS 47 Cb 0.58 0.01 -0.01 0.00 -0.57 0.00 0.00 32.23 32.24 1de2 h LYS 47 CO 0.10 0.90 -0.35 0.82 -2.06 0.00 0.00 179.45 178.87 1de2 h ILE 48 N 0.46 0.89 0.34 1.86 2.04 -1.33 -2.87 117.51 118.90 1de2 h ILE 48 Ca 0.03 -1.39 -0.02 0.00 1.00 0.00 0.00 64.86 64.49 1de2 h ILE 48 Cb 0.96 1.84 0.00 0.00 -0.74 0.00 0.00 36.82 38.88 1de2 h ILE 48 CO 0.09 0.34 -0.16 0.00 0.00 0.00 0.00 178.15 178.41 1de2 h ALA 49 N 1.65 -0.45 -0.67 1.87 0.00 -0.11 -2.87 119.26 118.68 1de2 h ALA 49 Ca -0.00 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.76 1de2 h ALA 49 Cb 0.81 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.74 1de2 h ALA 49 CO 0.05 -0.55 0.45 1.05 0.00 0.00 0.00 179.25 180.24 1de2 h GLU 50 N -0.85 0.74 -0.15 0.00 4.11 -1.55 -2.28 114.58 114.60 1de2 h GLU 50 Ca -0.05 -0.04 0.03 0.00 0.07 0.00 0.00 59.36 59.37 1de2 h GLU 50 Cb 0.53 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 1de2 h GLU 50 CO 0.08 0.49 -0.07 1.25 0.07 0.00 0.00 179.01 180.83 1de2 h LEU 51 N 0.76 -0.22 -0.53 3.06 5.85 -1.49 0.10 115.31 122.85 1de2 h LEU 51 Ca 0.28 0.06 0.09 0.00 0.84 0.00 0.00 57.88 59.14 1de2 h LEU 51 Cb 0.14 0.13 -0.07 0.00 0.37 0.00 0.00 40.66 41.23 1de2 h LEU 51 CO -0.08 -0.09 0.12 -0.07 -0.34 0.00 0.00 178.44 177.98 1de2 h LEU 52 N -0.05 0.04 -0.83 2.25 3.38 -1.18 -0.73 115.31 118.19 1de2 h LEU 52 Ca 0.08 0.09 -0.05 0.00 0.09 0.00 0.00 57.88 58.09 1de2 h LEU 52 Cb 0.17 0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 1de2 h LEU 52 CO -0.18 0.04 0.25 0.74 0.09 0.00 0.00 178.44 179.38 1de2 h THR 53 N 0.27 1.26 -0.76 0.22 2.02 -1.23 -2.40 112.91 112.29 1de2 h THR 53 Ca 0.27 -0.86 0.03 0.00 0.77 0.00 0.00 66.41 66.61 1de2 h THR 53 Cb 0.36 0.43 -0.04 0.00 -1.74 0.00 0.00 68.15 67.16 1de2 h THR 53 CO -0.33 0.34 0.50 0.11 0.37 0.00 0.00 175.52 176.51 1de2 h LYS 54 N 1.08 0.93 0.65 6.66 1.79 0.57 -2.78 116.57 125.48 1de2 h LYS 54 Ca 0.24 -0.06 -0.03 0.00 -2.18 0.00 0.00 60.65 58.62 1de2 h LYS 54 Cb 0.27 -0.21 0.01 0.00 -1.58 0.00 0.00 32.23 30.72 1de2 h LYS 54 CO -0.01 0.62 -0.31 -0.07 -1.08 0.00 0.00 179.45 178.59 1de2 h LEU 55 N 0.96 -0.74 0.00 2.94 3.38 -0.71 -3.48 115.31 117.66 1de2 h LEU 55 Ca 0.29 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.29 1de2 h LEU 55 Cb -0.01 0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1de2 h LEU 55 CO -0.08 -0.52 0.00 0.61 0.09 0.00 0.00 178.44 178.54 1de2 n GLY 56 N -1.44 -0.82 1.45 0.83 0.00 -1.05 -5.01 105.19 99.15 1de2 n GLY 56 Ca -0.13 0.66 -0.02 0.00 0.00 0.00 0.00 46.02 46.53 1de2 n GLY 56 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1de2 n ARG 57 N 0.00 0.22 0.00 1.61 0.63 -1.26 -4.64 116.66 113.21 1de2 n ARG 57 Ca 0.00 -1.59 0.00 0.00 -0.92 0.00 0.00 57.85 55.34 1de2 n ARG 57 Cb 0.00 0.15 0.00 0.00 0.45 0.00 0.00 32.46 33.06 1de2 n ARG 57 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 1de2 n ASP 58 N 0.05 0.00 -4.72 6.15 -0.08 -1.26 -5.16 116.55 111.53 1de2 n ASP 58 Ca -0.11 0.00 -0.26 0.00 -1.51 0.00 0.00 54.79 52.91 1de2 n ASP 58 Cb 0.90 0.00 -0.08 0.00 2.34 0.00 0.00 41.12 44.29 1de2 n ASP 58 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 1de2 s THR 59 N 2.76 2.19 -0.66 5.18 -1.32 -1.26 -4.99 115.64 117.54 1de2 s THR 59 Ca 0.00 -1.76 -0.26 0.00 -1.21 0.00 0.00 61.69 58.46 1de2 s THR 59 Cb 0.00 -2.96 -0.03 0.00 -1.51 0.00 0.00 72.50 68.01 1de2 s THR 59 CO 0.00 0.00 1.88 0.00 -2.21 0.00 0.00 174.62 174.29 1de2 s GLN 60 N -3.87 2.61 -1.16 7.08 -2.07 -1.26 -4.90 119.66 116.09 1de2 s GLN 60 Ca 0.39 0.45 -0.20 0.00 -1.82 0.00 0.00 55.36 54.17 1de2 s GLN 60 Cb 0.05 -4.51 0.06 0.00 -1.09 0.00 0.00 33.01 27.52 1de2 s GLN 60 CO 0.21 -2.85 1.60 0.96 -1.32 0.00 0.00 175.29 173.89 1de2 s ILE 61 N 9.26 4.03 -1.75 3.63 -4.36 -1.26 -4.14 121.20 126.60 1de2 s ILE 61 Ca 0.68 -1.36 0.00 0.00 -0.26 0.00 0.00 60.65 59.71 1de2 s ILE 61 Cb -0.12 -5.13 0.00 0.00 1.25 0.00 0.00 42.46 38.46 1de2 s ILE 61 CO 0.17 -1.98 0.00 0.61 0.24 0.00 0.00 174.94 173.97 1de2 n GLY 62 N 6.12 0.32 3.68 6.27 0.00 -1.26 -4.89 105.19 115.43 1de2 n GLY 62 Ca 0.41 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.99 1de2 n GLY 62 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1de2 n LEU 63 N -2.71 3.34 -4.30 0.99 7.99 -1.26 -5.00 117.00 116.06 1de2 n LEU 63 Ca -0.21 1.11 -0.22 0.00 -0.01 0.00 0.00 56.01 56.69 1de2 n LEU 63 Cb 0.65 -1.46 -0.12 0.00 -0.11 0.00 0.00 43.42 42.39 1de2 n LEU 63 CO 0.27 -0.27 -0.48 -0.89 -1.51 0.00 0.00 177.39 174.50 1de2 s THR 64 N 0.43 1.68 0.17 -5.08 2.01 -1.26 -5.13 115.64 108.45 1de2 s THR 64 Ca 0.72 -1.76 0.04 0.00 0.31 0.00 0.00 61.69 61.01 1de2 s THR 64 Cb -0.63 -1.68 -0.04 0.00 0.01 0.00 0.00 72.50 70.16 1de2 s THR 64 CO 0.43 -0.26 0.19 -0.04 -0.69 0.00 0.00 174.62 174.26 1de2 s MET 65 N -2.49 3.08 0.12 4.92 -1.94 -1.26 -3.93 119.30 117.81 1de2 s MET 65 Ca 0.11 -0.80 -0.27 0.00 -1.71 0.00 0.00 55.69 53.02 1de2 s MET 65 Cb -0.07 -2.74 -0.07 0.00 2.01 0.00 0.00 34.83 33.96 1de2 s MET 65 CO 0.05 0.49 0.84 -2.14 -0.01 0.00 0.00 175.02 174.25 1de2 s PRO 66 N -3.24 4.61 0.17 2.03 0.02 -1.26 -5.04 135.00 132.29 1de2 s PRO 66 Ca 0.32 1.24 -0.09 0.00 0.02 0.00 0.00 61.00 62.49 1de2 s PRO 66 Cb -0.10 -3.33 -0.06 0.00 0.02 0.00 0.00 34.50 31.03 1de2 s PRO 66 CO 0.25 0.38 0.47 -0.65 -0.33 0.00 0.00 177.00 177.13 1de2 s GLN 67 N -0.52 3.77 0.12 5.54 -1.52 0.74 -4.45 119.66 123.33 1de2 s GLN 67 Ca 0.40 0.19 0.10 0.00 -1.95 0.00 0.00 55.36 54.09 1de2 s GLN 67 Cb -0.23 -2.81 -0.04 0.00 -0.22 0.00 0.00 33.01 29.72 1de2 s GLN 67 CO 0.27 0.43 -0.24 0.08 -0.25 0.00 0.00 175.29 175.57 1de2 s VAL 68 N -1.65 2.02 -0.04 1.09 1.01 0.28 0.13 120.40 123.24 1de2 s VAL 68 Ca 0.42 -1.65 -0.03 0.00 0.00 0.00 0.00 61.98 60.72 1de2 s VAL 68 Cb -0.12 -1.80 0.02 0.00 0.00 0.00 0.00 36.38 34.47 1de2 s VAL 68 CO 0.21 0.03 0.09 -0.36 0.00 0.00 0.00 175.10 175.07 1de2 s PHE 69 N -1.09 -0.09 1.02 5.22 0.08 0.94 -2.92 117.98 121.13 1de2 s PHE 69 Ca 0.11 0.25 -0.19 0.00 0.12 0.00 0.00 56.93 57.22 1de2 s PHE 69 Cb -0.10 -0.01 -0.04 0.00 -0.57 0.00 0.00 43.02 42.30 1de2 s PHE 69 CO 0.05 -0.07 -0.41 0.00 -0.10 0.00 0.00 175.22 174.70 1de2 n ALA 70 N 3.34 -4.40 0.33 5.36 0.00 0.30 0.53 120.51 125.97 1de2 n ALA 70 Ca -0.16 -1.00 0.23 0.00 0.00 0.00 0.00 53.44 52.51 1de2 n ALA 70 Cb 0.57 -1.35 1.21 0.00 0.00 0.00 0.00 19.45 19.88 1de2 n ALA 70 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1de2 h PRO 71 N -1.47 0.00 0.00 0.00 0.11 -1.87 -1.95 132.00 126.82 1de2 h PRO 71 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1de2 h PRO 71 Cb 1.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.44 1de2 h PRO 71 CO 0.30 0.00 -1.58 -0.25 -0.21 0.00 0.00 178.00 176.26 1de2 n ASP 72 N -3.05 1.92 0.00 -2.05 8.00 -1.26 -4.30 116.55 115.81 1de2 n ASP 72 Ca -0.03 -0.02 0.00 0.00 0.71 0.00 0.00 54.79 55.45 1de2 n ASP 72 Cb 0.07 1.59 0.00 0.00 -0.02 0.00 0.00 41.12 42.76 1de2 n ASP 72 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1de2 n GLY 73 N 1.73 1.27 3.54 0.44 0.00 -0.73 -5.09 105.19 106.35 1de2 n GLY 73 Ca -0.02 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.55 1de2 n GLY 73 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1de2 n SER 74 N 0.00 2.79 -4.67 1.61 3.41 -1.26 -4.27 113.62 111.22 1de2 n SER 74 Ca 0.00 0.22 -0.45 0.00 -0.26 0.00 0.00 58.87 58.39 1de2 n SER 74 Cb 0.00 -1.45 -0.03 0.00 -0.26 0.00 0.00 64.21 62.47 1de2 n SER 74 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 1de2 n HIS 75 N 11.35 2.15 -0.03 7.33 -0.00 -1.26 0.11 115.22 134.87 1de2 n HIS 75 Ca 0.35 0.44 -0.04 0.00 0.46 0.00 0.00 57.72 58.93 1de2 n HIS 75 Cb 0.38 -2.46 -0.03 0.00 -0.12 0.00 0.00 29.99 27.76 1de2 n HIS 75 CO 0.00 0.00 0.00 -0.89 0.46 0.00 0.00 176.34 175.91 1de2 n ILE 76 N 1.90 0.30 0.00 3.57 5.41 -1.15 -4.78 119.36 124.62 1de2 n ILE 76 Ca 0.12 -0.12 0.00 0.00 1.00 0.00 0.00 62.75 63.74 1de2 n ILE 76 Cb 0.31 -0.71 0.00 0.00 -0.71 0.00 0.00 39.64 38.54 1de2 n ILE 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1de2 n GLY 77 N 3.20 0.61 0.00 7.39 0.00 -1.16 -4.48 105.19 110.75 1de2 n GLY 77 Ca -0.09 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 44.02 1de2 n GLY 77 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1de2 n GLY 78 N 0.00 1.23 0.07 -0.02 0.00 -1.26 0.10 105.19 105.31 1de2 n GLY 78 Ca 0.00 -1.01 -0.09 0.00 0.00 0.00 0.00 46.02 44.93 1de2 n GLY 78 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1de2 h PHE 79 N 0.00 0.00 -0.14 1.61 3.57 -1.95 -2.47 116.94 117.56 1de2 h PHE 79 Ca 0.00 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.53 1de2 h PHE 79 Cb 0.00 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.71 1de2 h PHE 79 CO 0.00 0.57 -0.03 0.22 -2.23 0.00 0.00 178.31 176.84 1de2 h ASP 80 N -1.00 -0.12 -0.76 0.41 1.82 -1.98 0.23 116.42 115.03 1de2 h ASP 80 Ca -0.05 0.04 -0.03 0.00 -0.39 0.00 0.00 57.03 56.60 1de2 h ASP 80 Cb 0.61 0.08 -0.03 0.00 0.68 0.00 0.00 39.33 40.67 1de2 h ASP 80 CO -0.03 -0.04 0.35 -0.61 -1.61 0.00 0.00 179.24 177.30 1de2 h GLN 81 N 0.01 1.10 0.33 0.28 4.15 -1.90 -2.47 115.11 116.61 1de2 h GLN 81 Ca 0.07 -0.17 -0.02 0.00 0.77 0.00 0.00 58.65 59.30 1de2 h GLN 81 Cb 0.10 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 27.60 1de2 h GLN 81 CO -0.14 0.87 -0.16 1.25 -1.93 0.00 0.00 178.83 178.72 1de2 h LEU 82 N 1.07 -0.38 -1.08 -2.39 7.12 -0.92 -0.17 115.31 118.56 1de2 h LEU 82 Ca 0.26 -0.04 0.23 0.00 0.13 0.00 0.00 57.88 58.45 1de2 h LEU 82 Cb 0.14 0.10 -0.11 0.00 -0.53 0.00 0.00 40.66 40.26 1de2 h LEU 82 CO -0.03 -0.20 0.61 -0.09 -0.13 0.00 0.00 178.44 178.60 1de2 h ARG 83 N -0.53 0.60 -0.40 1.25 2.43 -0.43 0.93 114.38 118.23 1de2 h ARG 83 Ca -0.05 -0.04 -0.12 0.00 -0.81 0.00 0.00 59.98 58.97 1de2 h ARG 83 Cb 0.39 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 1de2 h ARG 83 CO 0.07 0.39 -0.23 1.49 -1.51 0.00 0.00 179.97 180.19 1de2 h GLU 84 N 0.61 0.81 -0.41 0.20 4.22 -1.04 0.32 114.58 119.29 1de2 h GLU 84 Ca 0.61 -0.33 -0.02 0.00 0.08 0.00 0.00 59.36 59.70 1de2 h GLU 84 Cb 1.15 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.34 1de2 h GLU 84 CO -0.40 0.96 0.19 -0.92 -2.18 0.00 0.00 179.01 176.66 1de2 h TYR 85 N 0.70 0.56 0.05 0.92 3.20 0.26 -3.19 116.97 119.49 1de2 h TYR 85 Ca 0.09 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.95 1de2 h TYR 85 Cb 0.75 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.84 1de2 h TYR 85 CO 0.04 0.42 -0.03 0.74 -1.64 0.00 0.00 178.16 177.70 1de2 h PHE 86 N 0.58 -0.07 0.00 -3.82 0.04 -0.04 -3.51 116.94 110.12 1de2 h PHE 86 Ca 0.15 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.91 1de2 h PHE 86 Cb 0.07 0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.25 1de2 h PHE 86 CO 0.00 -0.04 0.00 1.63 -0.60 0.00 0.00 178.31 179.30