#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1de2 s PHE 2 N 0.00 3.43 -0.26 1.12 0.40 -0.97 -3.29 117.98 118.42 1de2 s PHE 2 Ca 0.00 1.69 -0.07 0.00 -0.60 0.00 0.00 56.93 57.95 1de2 s PHE 2 Cb 0.00 -3.05 -0.02 0.00 0.51 0.00 0.00 43.02 40.46 1de2 s PHE 2 CO 0.00 -0.31 0.07 0.15 0.70 0.00 0.00 175.22 175.83 1de2 s LYS 3 N -2.32 3.55 -0.25 0.44 3.01 -0.77 0.52 119.74 123.91 1de2 s LYS 3 Ca 0.55 -0.55 -0.09 0.00 -1.01 0.00 0.00 55.97 54.87 1de2 s LYS 3 Cb -0.21 -3.31 -0.04 0.00 -1.01 0.00 0.00 37.83 33.26 1de2 s LYS 3 CO 0.26 -0.23 0.12 0.08 0.51 0.00 0.00 175.35 176.09 1de2 s VAL 4 N 1.59 4.85 -0.57 3.17 1.01 -0.92 0.04 120.40 129.57 1de2 s VAL 4 Ca 0.06 0.01 -0.16 0.00 0.00 0.00 0.00 61.98 61.88 1de2 s VAL 4 Cb -0.15 -3.28 0.13 0.00 0.00 0.00 0.00 36.38 33.08 1de2 s VAL 4 CO 0.03 0.32 0.56 -0.31 0.00 0.00 0.00 175.10 175.70 1de2 s TYR 5 N 1.49 3.23 0.00 5.22 1.51 0.43 -1.37 117.35 127.86 1de2 s TYR 5 Ca 0.06 -1.27 0.00 0.00 -1.01 0.00 0.00 57.07 54.86 1de2 s TYR 5 Cb -0.15 -3.85 0.00 0.00 -0.11 0.00 0.00 41.96 37.85 1de2 s TYR 5 CO 0.06 -1.08 0.00 0.41 -1.11 0.00 0.00 175.55 173.84 1de2 n GLY 6 N 5.19 3.23 3.24 0.71 0.00 -0.98 0.10 105.19 116.69 1de2 n GLY 6 Ca -0.11 -0.05 -0.24 0.00 0.00 0.00 0.00 46.02 45.62 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 0.50 1.69 -0.35 1.61 1.51 -1.26 -1.76 117.35 119.29 1de2 s TYR 7 Ca 0.00 -0.39 0.15 0.00 -1.01 0.00 0.00 57.07 55.83 1de2 s TYR 7 Cb 0.00 -0.98 0.44 0.00 -0.11 0.00 0.00 41.96 41.31 1de2 s TYR 7 CO 0.00 0.12 0.93 -3.47 -1.11 0.00 0.00 175.55 172.02 1de2 n ASP 8 N 1.60 1.74 -1.74 2.29 -0.08 -1.26 -4.91 116.55 114.19 1de2 n ASP 8 Ca -0.18 -2.88 -0.01 0.00 -1.51 0.00 0.00 54.79 50.20 1de2 n ASP 8 Cb 0.54 -0.54 0.01 0.00 2.34 0.00 0.00 41.12 43.46 1de2 n ASP 8 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1de2 n SER 9 N -0.05 -0.58 -0.38 1.67 2.88 -1.26 -5.00 113.62 110.89 1de2 n SER 9 Ca 0.15 -1.31 0.10 0.00 -1.33 0.00 0.00 58.87 56.47 1de2 n SER 9 Cb 0.77 0.95 0.41 0.00 -0.75 0.00 0.00 64.21 65.58 1de2 n SER 9 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1de2 n ASN 10 N -0.84 1.14 0.05 -3.46 4.13 -1.26 -3.31 115.26 111.71 1de2 n ASN 10 Ca -0.01 -1.64 0.12 0.00 1.68 0.00 0.00 54.58 54.73 1de2 n ASN 10 Cb 0.19 -0.08 0.26 0.00 -1.54 0.00 0.00 39.78 38.61 1de2 n ASN 10 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 1de2 n ILE 11 N -0.02 0.28 -3.59 2.41 2.08 -1.26 -4.82 119.36 114.44 1de2 n ILE 11 Ca 0.15 -0.19 -0.02 0.00 0.56 0.00 0.00 62.75 63.25 1de2 n ILE 11 Cb 0.24 -0.14 -0.05 0.00 -0.75 0.00 0.00 39.64 38.94 1de2 n ILE 11 CO 0.00 0.00 0.00 -2.28 0.56 0.00 0.00 176.55 174.83 1de2 s HIS 12 N -3.11 -1.08 1.05 1.39 2.46 -1.21 -4.90 115.29 109.90 1de2 s HIS 12 Ca 0.08 1.93 -0.12 0.00 0.47 0.00 0.00 55.06 57.43 1de2 s HIS 12 Cb 0.15 0.65 0.22 0.00 -0.13 0.00 0.00 32.58 33.46 1de2 s HIS 12 CO 0.68 -0.54 1.07 0.15 -2.47 0.00 0.00 174.74 173.64 1de2 s LYS 13 N 2.43 -0.03 0.00 2.88 -0.14 -1.26 -4.35 119.74 119.27 1de2 s LYS 13 Ca -0.06 0.70 0.00 0.00 -1.36 0.00 0.00 55.97 55.25 1de2 s LYS 13 Cb -0.09 -1.67 0.00 0.00 -1.68 0.00 0.00 37.83 34.40 1de2 s LYS 13 CO -0.18 -3.09 0.00 0.00 -0.76 0.00 0.00 175.35 171.31 1de2 h VAL 15 N 0.00 0.87 0.00 0.00 -1.51 -1.99 -3.34 116.25 110.28 1de2 h VAL 15 Ca 0.00 -2.40 0.00 0.00 -1.23 0.00 0.00 66.70 63.07 1de2 h VAL 15 Cb 0.00 2.64 0.00 0.00 -2.13 0.00 0.00 31.29 31.80 1de2 h VAL 15 CO 0.00 0.79 0.00 1.88 -1.23 0.00 0.00 177.57 179.01 1de2 h TYR 16 N -0.11 0.00 0.70 5.19 -1.99 -1.99 -2.87 116.97 115.89 1de2 h TYR 16 Ca -0.36 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.34 1de2 h TYR 16 Cb 1.92 0.00 0.01 0.00 2.00 0.00 0.00 36.73 40.65 1de2 h TYR 16 CO 0.10 0.00 -0.33 0.00 -0.00 0.00 0.00 178.16 177.93 1de2 h ASP 18 N -1.13 0.66 -0.24 0.00 3.58 -1.70 0.04 116.42 117.63 1de2 h ASP 18 Ca -0.10 0.11 -0.02 0.00 0.42 0.00 0.00 57.03 57.44 1de2 h ASP 18 Cb 0.75 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.79 1de2 h ASP 18 CO 0.16 0.21 0.07 0.78 -2.88 0.00 0.00 179.24 177.58 1de2 h ASN 19 N 0.66 0.35 -0.01 2.28 2.35 -1.55 -2.71 115.58 116.96 1de2 h ASN 19 Ca 0.56 -0.21 -0.00 0.00 -0.55 0.00 0.00 56.30 56.10 1de2 h ASN 19 Cb 0.91 -0.09 -0.00 0.00 0.05 0.00 0.00 38.32 39.19 1de2 h ASN 19 CO -0.41 0.46 0.00 0.00 -1.65 0.00 0.00 177.43 175.84 1de2 h ALA 20 N 0.90 0.01 -0.98 -0.83 0.00 -0.10 -2.63 119.26 115.64 1de2 h ALA 20 Ca 0.08 -0.10 0.24 0.00 0.00 0.00 0.00 54.91 55.13 1de2 h ALA 20 Cb 0.24 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.96 1de2 h ALA 20 CO -0.00 -0.39 0.65 -0.22 0.00 0.00 0.00 179.25 179.29 1de2 h LYS 21 N -0.18 0.32 -0.55 0.00 3.64 -1.05 0.34 116.57 119.08 1de2 h LYS 21 Ca 0.00 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.26 1de2 h LYS 21 Cb 0.19 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.92 1de2 h LYS 21 CO -0.00 0.21 -0.05 -0.09 -2.27 0.00 0.00 179.45 177.24 1de2 h ARG 22 N 0.33 1.01 0.38 1.90 9.65 -1.14 -1.79 114.38 124.72 1de2 h ARG 22 Ca 0.52 -0.35 -0.01 0.00 -1.10 0.00 0.00 59.98 59.04 1de2 h ARG 22 Cb 1.44 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 29.93 1de2 h ARG 22 CO -0.19 1.03 -0.30 1.25 2.80 0.00 0.00 179.97 184.57 1de2 h LEU 23 N 0.89 -0.77 -0.61 3.80 6.46 -0.08 -0.09 115.31 124.91 1de2 h LEU 23 Ca 0.15 0.06 0.08 0.00 -0.12 0.00 0.00 57.88 58.04 1de2 h LEU 23 Cb 0.61 0.25 -0.06 0.00 -0.73 0.00 0.00 40.66 40.73 1de2 h LEU 23 CO 0.04 -0.44 0.28 -0.07 -0.62 0.00 0.00 178.44 177.62 1de2 h LEU 24 N -0.68 0.35 -1.28 2.25 3.38 -1.40 0.86 115.31 118.80 1de2 h LEU 24 Ca -0.03 0.06 0.07 0.00 0.09 0.00 0.00 57.88 58.06 1de2 h LEU 24 Cb 0.59 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.28 1de2 h LEU 24 CO -0.01 0.22 0.53 0.74 0.09 0.00 0.00 178.44 180.01 1de2 h THR 25 N 0.50 1.03 0.06 0.22 2.02 -0.96 0.13 112.91 115.91 1de2 h THR 25 Ca 0.29 -0.30 -0.24 0.00 0.77 0.00 0.00 66.41 66.94 1de2 h THR 25 Cb 0.29 0.09 -0.00 0.00 -1.74 0.00 0.00 68.15 66.78 1de2 h THR 25 CO -0.24 0.16 -1.07 0.58 0.37 0.00 0.00 175.52 175.31 1de2 h VAL 26 N 0.87 1.50 0.00 3.16 2.07 0.94 -3.14 116.25 121.64 1de2 h VAL 26 Ca 0.35 -2.86 0.00 0.00 0.82 0.00 0.00 66.70 65.01 1de2 h VAL 26 Cb 0.26 2.71 0.00 0.00 -1.52 0.00 0.00 31.29 32.74 1de2 h VAL 26 CO -0.13 0.84 0.00 0.11 0.02 0.00 0.00 177.57 178.41 1de2 h LYS 27 N 0.11 0.00 -2.73 1.57 1.79 0.20 -3.47 116.57 114.03 1de2 h LYS 27 Ca -0.09 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.34 1de2 h LYS 27 Cb 1.76 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 32.43 1de2 h LYS 27 CO 0.17 0.00 -0.10 1.17 -1.08 0.00 0.00 179.45 179.61 1de2 n LYS 28 N -2.77 -0.66 -3.83 3.15 3.00 0.32 -5.05 118.16 112.32 1de2 n LYS 28 Ca 0.01 0.11 -0.13 0.00 -0.00 0.00 0.00 58.31 58.30 1de2 n LYS 28 Cb 0.30 -2.65 -0.15 0.00 0.00 0.00 0.00 35.03 32.53 1de2 n LYS 28 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 1de2 s GLN 29 N -3.85 -0.01 0.65 1.64 1.11 -0.94 -5.06 119.66 113.19 1de2 s GLN 29 Ca 0.02 0.07 -0.10 0.00 0.01 0.00 0.00 55.36 55.36 1de2 s GLN 29 Cb -0.00 -0.10 -0.01 0.00 -1.01 0.00 0.00 33.01 31.89 1de2 s GLN 29 CO 0.09 -0.07 1.03 -1.25 0.01 0.00 0.00 175.29 175.10 1de2 s PRO 30 N 0.42 3.18 0.27 2.91 0.04 -1.26 -4.46 135.00 136.10 1de2 s PRO 30 Ca -0.03 0.49 -0.21 0.00 0.04 0.00 0.00 61.00 61.29 1de2 s PRO 30 Cb -0.05 -2.10 0.03 0.00 0.04 0.00 0.00 34.50 32.43 1de2 s PRO 30 CO -0.01 -0.77 0.78 -0.59 0.04 0.00 0.00 177.00 176.45 1de2 s PHE 31 N -3.21 -0.14 -0.02 0.56 -0.71 -1.26 -2.29 117.98 110.91 1de2 s PHE 31 Ca 0.56 -0.31 0.01 0.00 -1.04 0.00 0.00 56.93 56.14 1de2 s PHE 31 Cb -0.11 0.71 0.01 0.00 -1.21 0.00 0.00 43.02 42.42 1de2 s PHE 31 CO 0.51 -1.20 -0.03 -1.21 -1.34 0.00 0.00 175.22 171.95 1de2 s GLU 32 N -3.60 0.49 0.41 1.99 2.02 0.18 -4.79 118.70 115.40 1de2 s GLU 32 Ca 0.12 -0.08 -0.04 0.00 0.02 0.00 0.00 54.97 54.99 1de2 s GLU 32 Cb -0.05 -0.54 -0.04 0.00 0.10 0.00 0.00 34.13 33.60 1de2 s GLU 32 CO 0.07 -0.02 0.69 0.12 0.02 0.00 0.00 175.26 176.14 1de2 s PHE 33 N 0.50 3.53 -0.14 1.61 5.36 -1.26 -2.17 117.98 125.40 1de2 s PHE 33 Ca -0.06 0.69 -0.06 0.00 -0.96 0.00 0.00 56.93 56.55 1de2 s PHE 33 Cb -0.09 -2.18 0.07 0.00 -0.34 0.00 0.00 43.02 40.48 1de2 s PHE 33 CO -0.00 -0.10 0.30 0.42 -1.46 0.00 0.00 175.22 174.38 1de2 s ILE 34 N -2.50 -0.39 0.00 3.12 1.01 -0.47 -4.86 121.20 117.11 1de2 s ILE 34 Ca 0.45 0.23 -0.24 0.00 0.00 0.00 0.00 60.65 61.09 1de2 s ILE 34 Cb -0.10 -0.50 -0.05 0.00 0.01 0.00 0.00 42.46 41.82 1de2 s ILE 34 CO 0.39 0.09 0.71 0.20 0.00 0.00 0.00 174.94 176.34 1de2 s ASN 35 N 2.25 7.10 0.00 3.58 0.01 -1.26 -2.32 114.94 124.30 1de2 s ASN 35 Ca -0.01 1.32 0.24 0.00 -0.71 0.00 0.00 52.86 53.69 1de2 s ASN 35 Cb -0.12 -2.43 0.39 0.00 0.41 0.00 0.00 41.25 39.50 1de2 s ASN 35 CO -0.10 -0.01 1.38 2.30 -1.51 0.00 0.00 177.10 179.16 1de2 n ILE 36 N 3.07 0.28 -3.40 0.60 -5.35 -0.72 -4.71 119.36 109.12 1de2 n ILE 36 Ca -0.03 -0.61 -0.21 0.00 -0.27 0.00 0.00 62.75 61.63 1de2 n ILE 36 Cb 0.51 1.11 -0.09 0.00 -1.74 0.00 0.00 39.64 39.42 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 -1.72 0.58 0.43 6.28 0.00 -1.26 0.21 119.30 123.82 1de2 s MET 37 Ca 0.34 -0.98 0.21 0.00 0.00 0.00 0.00 55.69 55.26 1de2 s MET 37 Cb 0.21 -0.92 0.97 0.00 0.00 0.00 0.00 34.83 35.09 1de2 s MET 37 CO 0.31 -1.19 1.88 -1.00 0.00 0.00 0.00 175.02 175.02 1de2 h PRO 38 N 7.12 0.00 -3.97 4.11 0.13 -1.84 -3.44 132.00 134.11 1de2 h PRO 38 Ca 0.04 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.97 1de2 h PRO 38 Cb 1.03 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 31.92 1de2 h PRO 38 CO 0.23 0.27 -0.71 -2.00 -0.23 0.00 0.00 178.00 175.56 1de2 s GLU 39 N -3.96 0.24 0.00 0.86 2.12 -1.26 -5.01 118.70 111.70 1de2 s GLU 39 Ca -0.02 -0.43 0.03 0.00 0.36 0.00 0.00 54.97 54.92 1de2 s GLU 39 Cb 0.12 0.03 0.14 0.00 0.26 0.00 0.00 34.13 34.68 1de2 s GLU 39 CO 0.66 -0.02 1.05 1.17 -0.54 0.00 0.00 175.26 177.57 1de2 n LYS 40 N 2.08 0.01 0.00 4.30 4.81 -1.26 -2.43 118.16 125.67 1de2 n LYS 40 Ca -0.20 0.39 -0.11 0.00 -0.87 0.00 0.00 58.31 57.53 1de2 n LYS 40 Cb 0.57 -1.50 -0.08 0.00 0.02 0.00 0.00 35.03 34.03 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 0.52 -0.12 -4.68 3.14 0.00 -1.97 -3.48 103.07 96.49 1de2 h GLY 41 Ca 0.00 0.04 -0.11 0.00 0.00 0.00 0.00 47.33 47.26 1de2 h GLY 41 CO 0.00 -0.04 -0.21 0.14 0.00 0.00 0.00 176.54 176.43 1de2 s VAL 42 N -2.98 0.03 1.17 4.60 1.01 -1.02 -5.16 120.40 118.05 1de2 s VAL 42 Ca -0.13 -0.27 -0.15 0.00 0.00 0.00 0.00 61.98 61.43 1de2 s VAL 42 Cb -0.00 -0.65 0.24 0.00 0.00 0.00 0.00 36.38 35.97 1de2 s VAL 42 CO 0.50 -0.15 0.69 0.49 0.00 0.00 0.00 175.10 176.63 1de2 n PHE 43 N 1.73 -1.39 -2.61 5.22 3.01 -1.26 -4.03 117.46 118.11 1de2 n PHE 43 Ca -0.19 -0.08 -0.41 0.00 1.01 0.00 0.00 57.45 57.78 1de2 n PHE 43 Cb 0.56 -1.65 -0.03 0.00 -0.01 0.00 0.00 39.48 38.36 1de2 n PHE 43 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1de2 s ASP 44 N -2.21 6.23 0.65 4.37 -1.08 0.56 -4.77 116.67 120.43 1de2 s ASP 44 Ca 0.65 -0.75 0.38 0.00 -0.52 0.00 0.00 52.55 52.31 1de2 s ASP 44 Cb -0.21 -2.53 2.09 0.00 -1.46 0.00 0.00 42.92 40.80 1de2 s ASP 44 CO 0.66 -1.70 2.21 -0.78 0.52 0.00 0.00 175.17 176.08 1de2 h ASP 45 N 9.88 0.00 0.44 -0.34 1.82 -1.89 -0.47 116.42 125.85 1de2 h ASP 45 Ca -0.19 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.43 1de2 h ASP 45 Cb 1.05 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.06 1de2 h ASP 45 CO 1.28 0.00 -0.21 -0.08 -1.61 0.00 0.00 179.24 178.62 1de2 h GLU 46 N 0.00 -0.56 0.03 0.28 4.57 -1.97 -1.98 114.58 114.95 1de2 h GLU 46 Ca 0.01 0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 58.23 1de2 h GLU 46 Cb 0.24 0.13 0.00 0.00 -0.16 0.00 0.00 28.75 28.96 1de2 h GLU 46 CO -0.00 -0.26 -0.01 0.87 -1.18 0.00 0.00 179.01 178.42 1de2 h LYS 47 N -0.99 -0.04 -1.01 1.92 1.79 -1.82 -3.02 116.57 113.41 1de2 h LYS 47 Ca -0.06 0.00 0.25 0.00 -2.18 0.00 0.00 60.65 58.66 1de2 h LYS 47 Cb 0.56 0.01 -0.08 0.00 -1.58 0.00 0.00 32.23 31.14 1de2 h LYS 47 CO 0.10 0.54 0.66 0.82 -1.08 0.00 0.00 179.45 180.49 1de2 h ILE 48 N -0.66 0.57 0.68 1.86 5.03 -1.23 0.66 117.51 124.43 1de2 h ILE 48 Ca -0.00 -0.13 -0.03 0.00 -0.12 0.00 0.00 64.86 64.57 1de2 h ILE 48 Cb 0.60 0.15 0.01 0.00 -3.03 0.00 0.00 36.82 34.54 1de2 h ILE 48 CO 0.01 0.07 -0.33 0.00 -0.68 0.00 0.00 178.15 177.22 1de2 h ALA 49 N 1.61 -1.03 0.00 1.87 0.00 -1.33 -2.68 119.26 117.70 1de2 h ALA 49 Ca 0.56 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.25 1de2 h ALA 49 Cb 1.43 0.36 -0.00 0.00 0.00 0.00 0.00 17.79 19.57 1de2 h ALA 49 CO -0.25 -0.96 -0.09 1.05 0.00 0.00 0.00 179.25 179.00 1de2 h GLU 50 N -1.11 0.00 0.25 0.00 4.11 -1.24 -2.72 114.58 113.86 1de2 h GLU 50 Ca -0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.34 1de2 h GLU 50 Cb 0.70 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.94 1de2 h GLU 50 CO 0.15 0.09 -0.24 1.25 0.07 0.00 0.00 179.01 180.34 1de2 h LEU 51 N 0.00 -0.64 -0.25 3.06 6.46 0.45 0.60 115.31 124.99 1de2 h LEU 51 Ca -0.00 0.06 0.04 0.00 -0.12 0.00 0.00 57.88 57.86 1de2 h LEU 51 Cb 0.24 0.22 -0.04 0.00 -0.73 0.00 0.00 40.66 40.34 1de2 h LEU 51 CO 0.01 -0.35 -0.02 -0.07 -0.62 0.00 0.00 178.44 177.39 1de2 h LEU 52 N -0.52 -0.13 -1.39 2.25 3.38 -1.16 0.37 115.31 118.11 1de2 h LEU 52 Ca -0.01 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1de2 h LEU 52 Cb 0.48 0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.31 1de2 h LEU 52 CO -0.05 -0.04 0.40 0.74 0.09 0.00 0.00 178.44 179.58 1de2 h THR 53 N 0.06 1.16 -0.19 0.22 2.02 -1.38 -1.79 112.91 113.02 1de2 h THR 53 Ca 0.12 -0.30 -0.16 0.00 0.77 0.00 0.00 66.41 66.84 1de2 h THR 53 Cb 0.16 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 66.84 1de2 h THR 53 CO -0.22 0.16 -0.53 0.11 0.37 0.00 0.00 175.52 175.41 1de2 h LYS 54 N 0.83 0.54 -0.85 6.66 1.57 0.15 -3.11 116.57 122.36 1de2 h LYS 54 Ca 0.22 -0.33 0.02 0.00 -1.87 0.00 0.00 60.65 58.69 1de2 h LYS 54 Cb -0.08 0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.22 1de2 h LYS 54 CO -0.05 0.94 0.56 -0.07 -0.57 0.00 0.00 179.45 180.26 1de2 h LEU 55 N 0.42 0.95 0.00 2.94 3.38 0.55 -3.45 115.31 120.10 1de2 h LEU 55 Ca 0.01 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1de2 h LEU 55 Cb 1.07 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.59 1de2 h LEU 55 CO 0.10 0.67 0.00 0.61 0.09 0.00 0.00 178.44 179.91 1de2 n GLY 56 N -1.33 -0.36 1.92 0.83 0.00 -1.00 -4.92 105.19 100.32 1de2 n GLY 56 Ca 0.10 -1.38 -0.18 0.00 0.00 0.00 0.00 46.02 44.56 1de2 n GLY 56 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1de2 n ARG 57 N 0.00 1.95 0.00 1.61 1.85 -1.26 -4.45 116.66 116.36 1de2 n ARG 57 Ca 0.00 -2.20 0.00 0.00 -1.00 0.00 0.00 57.85 54.65 1de2 n ARG 57 Cb 0.00 -1.86 0.00 0.00 -1.05 0.00 0.00 32.46 29.55 1de2 n ARG 57 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 177.63 177.22 1de2 n ASP 58 N -0.62 0.15 -4.61 2.89 5.75 -1.26 -5.17 116.55 113.68 1de2 n ASP 58 Ca 0.43 0.00 -0.27 0.00 -0.01 0.00 0.00 54.79 54.94 1de2 n ASP 58 Cb 1.24 0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 41.22 1de2 n ASP 58 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 1de2 s THR 59 N 1.86 1.88 -0.68 2.12 -1.32 -1.26 -4.96 115.64 113.28 1de2 s THR 59 Ca 0.00 -2.00 -0.21 0.00 -1.21 0.00 0.00 61.69 58.27 1de2 s THR 59 Cb 0.00 -2.95 0.09 0.00 -1.51 0.00 0.00 72.50 68.13 1de2 s THR 59 CO 0.00 0.00 0.91 0.00 -2.21 0.00 0.00 174.62 173.32 1de2 s GLN 60 N -3.73 3.17 -1.10 7.08 -2.07 -1.26 -4.97 119.66 116.76 1de2 s GLN 60 Ca 0.34 -1.13 -0.21 0.00 -1.82 0.00 0.00 55.36 52.54 1de2 s GLN 60 Cb 0.10 -4.34 0.06 0.00 -1.09 0.00 0.00 33.01 27.73 1de2 s GLN 60 CO 0.17 -1.72 1.53 -1.50 -1.32 0.00 0.00 175.29 172.45 1de2 s ILE 61 N 3.41 4.01 -1.58 3.63 1.10 -1.26 -4.12 121.20 126.39 1de2 s ILE 61 Ca 0.20 -1.14 0.00 0.00 -0.51 0.00 0.00 60.65 59.20 1de2 s ILE 61 Cb -0.17 -5.10 0.00 0.00 0.15 0.00 0.00 42.46 37.34 1de2 s ILE 61 CO 0.06 -1.96 0.00 0.61 -2.11 0.00 0.00 174.94 171.54 1de2 n GLY 62 N 6.39 -0.48 3.51 1.50 0.00 -1.26 -4.86 105.19 109.99 1de2 n GLY 62 Ca 0.38 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.95 0.33 -4.71 0.99 7.99 -1.26 -4.97 117.00 112.41 1de2 n LEU 63 Ca -0.22 1.14 -0.25 0.00 -0.01 0.00 0.00 56.01 56.67 1de2 n LEU 63 Cb 0.67 -1.06 -0.08 0.00 -0.11 0.00 0.00 43.42 42.84 1de2 n LEU 63 CO 0.25 -1.95 -0.18 -0.89 -1.51 0.00 0.00 177.39 173.12 1de2 s THR 64 N -0.38 2.23 0.16 -5.08 2.01 -1.26 -5.16 115.64 108.16 1de2 s THR 64 Ca 0.75 -1.76 0.09 0.00 0.31 0.00 0.00 61.69 61.08 1de2 s THR 64 Cb -0.99 -2.99 -0.04 0.00 0.01 0.00 0.00 72.50 68.49 1de2 s THR 64 CO 0.55 0.00 -0.19 -0.04 -0.69 0.00 0.00 174.62 174.25 1de2 s MET 65 N -3.87 1.27 0.33 4.92 1.00 -1.26 -4.11 119.30 117.58 1de2 s MET 65 Ca 0.40 -1.39 -0.25 0.00 0.00 0.00 0.00 55.69 54.44 1de2 s MET 65 Cb 0.05 -1.35 -0.10 0.00 0.00 0.00 0.00 34.83 33.43 1de2 s MET 65 CO 0.21 0.28 0.92 -2.14 0.00 0.00 0.00 175.02 174.29 1de2 s PRO 66 N -2.73 4.50 -0.25 2.03 0.02 -1.26 -5.04 135.00 132.28 1de2 s PRO 66 Ca 0.15 1.25 -0.04 0.00 0.02 0.00 0.00 61.00 62.38 1de2 s PRO 66 Cb -0.06 -2.73 0.00 0.00 0.02 0.00 0.00 34.50 31.73 1de2 s PRO 66 CO 0.06 0.25 -0.01 -1.14 -0.33 0.00 0.00 177.00 175.84 1de2 s GLN 67 N -2.19 3.20 0.46 5.54 2.00 0.29 -4.35 119.66 124.60 1de2 s GLN 67 Ca 0.51 -0.75 -0.03 0.00 -2.00 0.00 0.00 55.36 53.08 1de2 s GLN 67 Cb -0.17 -3.10 -0.02 0.00 0.80 0.00 0.00 33.01 30.51 1de2 s GLN 67 CO 0.22 -0.30 0.73 0.08 -0.50 0.00 0.00 175.29 175.51 1de2 s VAL 68 N 1.45 4.62 -0.02 1.34 1.01 0.23 0.16 120.40 129.21 1de2 s VAL 68 Ca 0.04 -0.11 -0.03 0.00 0.00 0.00 0.00 61.98 61.88 1de2 s VAL 68 Cb -0.16 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.49 1de2 s VAL 68 CO -0.02 -0.64 0.08 -0.36 0.00 0.00 0.00 175.10 174.16 1de2 s PHE 69 N -2.64 -0.00 0.20 5.22 0.08 0.11 -2.79 117.98 118.15 1de2 s PHE 69 Ca 0.47 0.02 -0.33 0.00 0.12 0.00 0.00 56.93 57.21 1de2 s PHE 69 Cb -0.10 -0.02 -0.13 0.00 -0.57 0.00 0.00 43.02 42.19 1de2 s PHE 69 CO 0.42 -0.12 1.57 0.00 -0.10 0.00 0.00 175.22 176.98 1de2 n ALA 70 N 2.44 1.68 0.16 5.36 0.00 0.94 -1.84 120.51 129.25 1de2 n ALA 70 Ca -0.17 0.42 0.19 0.00 0.00 0.00 0.00 53.44 53.88 1de2 n ALA 70 Cb 0.58 -2.37 0.75 0.00 0.00 0.00 0.00 19.45 18.41 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 5.57 0.00 0.00 0.00 0.11 -1.88 -3.07 132.00 132.73 1de2 h PRO 71 Ca -0.45 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.50 1de2 h PRO 71 Cb 1.25 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 32.21 1de2 h PRO 71 CO 0.86 0.00 -0.27 -0.25 -0.21 0.00 0.00 178.00 178.13 1de2 n ASP 72 N -3.45 -1.39 0.00 -2.05 8.00 -1.26 -4.73 116.55 111.66 1de2 n ASP 72 Ca 0.05 -2.18 0.00 0.00 0.71 0.00 0.00 54.79 53.37 1de2 n ASP 72 Cb 0.57 0.63 0.00 0.00 -0.02 0.00 0.00 41.12 42.29 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 -1.30 3.00 2.80 0.44 0.00 -1.16 -5.19 105.19 103.78 1de2 n GLY 73 Ca -0.20 -0.40 -0.17 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.67 -4.68 1.61 3.41 -1.26 -4.82 113.62 107.20 1de2 n SER 74 Ca 0.00 -2.88 -0.45 0.00 -0.26 0.00 0.00 58.87 55.28 1de2 n SER 74 Cb 0.00 1.53 -0.04 0.00 -0.26 0.00 0.00 64.21 65.44 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 -0.55 2.43 -0.13 7.33 -0.00 -1.26 -0.04 115.22 123.00 1de2 n HIS 75 Ca 0.06 0.13 -0.23 0.00 0.46 0.00 0.00 57.72 58.14 1de2 n HIS 75 Cb 0.52 -2.61 -0.11 0.00 -0.12 0.00 0.00 29.99 27.67 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 3.91 1.49 0.00 3.57 5.41 -1.12 -4.82 119.36 127.81 1de2 n ILE 76 Ca 0.18 -0.48 0.00 0.00 1.00 0.00 0.00 62.75 63.45 1de2 n ILE 76 Cb 0.31 -1.63 0.00 0.00 -0.71 0.00 0.00 39.64 37.61 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 1.80 0.55 0.00 7.39 0.00 -1.14 -4.53 105.19 109.25 1de2 n GLY 77 Ca -0.50 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 43.57 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 1.37 0.00 -0.02 0.00 -1.26 0.77 105.19 106.06 1de2 n GLY 78 Ca 0.00 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.63 1de2 n GLY 78 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1de2 n PHE 79 N 0.00 0.00 -0.33 1.61 -0.00 -1.26 -1.38 117.46 116.11 1de2 n PHE 79 Ca 0.00 0.00 0.17 0.00 -0.00 0.00 0.00 57.45 57.62 1de2 n PHE 79 Cb 0.00 -0.49 0.37 0.00 -0.00 0.00 0.00 39.48 39.36 1de2 n PHE 79 CO 0.00 0.00 0.00 0.22 -0.00 0.00 0.00 176.76 176.98 1de2 h ASP 80 N 0.00 0.48 -0.69 -2.13 3.58 -1.98 0.87 116.42 116.54 1de2 h ASP 80 Ca 0.00 0.16 -0.07 0.00 0.42 0.00 0.00 57.03 57.54 1de2 h ASP 80 Cb 0.00 0.11 -0.03 0.00 1.72 0.00 0.00 39.33 41.13 1de2 h ASP 80 CO 0.00 0.00 0.18 -0.61 -2.88 0.00 0.00 179.24 175.93 1de2 h GLN 81 N 0.44 1.11 -0.05 0.28 4.15 -1.89 -2.83 115.11 116.32 1de2 h GLN 81 Ca 0.63 -0.26 -0.22 0.00 0.77 0.00 0.00 58.65 59.57 1de2 h GLN 81 Cb 1.25 -0.15 0.02 0.00 0.21 0.00 0.00 27.48 28.80 1de2 h GLN 81 CO -0.53 0.97 -0.82 1.25 -1.93 0.00 0.00 178.83 177.77 1de2 h LEU 82 N 1.06 0.81 -1.65 -2.39 5.85 0.15 -3.09 115.31 116.04 1de2 h LEU 82 Ca 0.22 -0.71 0.23 0.00 0.84 0.00 0.00 57.88 58.46 1de2 h LEU 82 Cb 0.36 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 41.08 1de2 h LEU 82 CO 0.00 1.40 0.62 -0.09 -0.34 0.00 0.00 178.44 180.03 1de2 h ARG 83 N 0.29 0.26 -0.24 1.25 2.43 0.50 1.44 114.38 120.31 1de2 h ARG 83 Ca -0.09 -0.02 -0.12 0.00 -0.81 0.00 0.00 59.98 58.95 1de2 h ARG 83 Cb 1.48 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.96 1de2 h ARG 83 CO 0.16 0.17 -0.34 0.93 -1.51 0.00 0.00 179.97 179.39 1de2 h GLU 84 N 0.27 0.51 -0.31 0.20 5.08 -1.43 1.00 114.58 119.90 1de2 h GLU 84 Ca 0.47 -0.23 -0.05 0.00 -1.00 0.00 0.00 59.36 58.55 1de2 h GLU 84 Cb 1.38 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.61 1de2 h GLU 84 CO -0.13 0.79 -0.01 -0.92 -1.00 0.00 0.00 179.01 177.73 1de2 h TYR 85 N 0.43 0.50 0.00 4.33 5.03 0.20 -3.34 116.97 124.12 1de2 h TYR 85 Ca 0.05 -0.05 0.00 0.00 2.58 0.00 0.00 58.73 61.31 1de2 h TYR 85 Cb 0.80 -0.15 0.00 0.00 1.55 0.00 0.00 36.73 38.94 1de2 h TYR 85 CO 0.03 0.51 0.00 1.19 -1.32 0.00 0.00 178.16 178.57 1de2 n PHE 86 N -4.28 0.00 1.83 -3.82 3.72 -0.22 -5.11 117.46 109.57 1de2 n PHE 86 Ca 0.01 0.00 0.15 0.00 -0.05 0.00 0.00 57.45 57.56 1de2 n PHE 86 Cb 0.24 -0.26 0.80 0.00 -0.94 0.00 0.00 39.48 39.32 1de2 n PHE 86 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34