#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1de1 s PHE 2 N 0.00 3.01 -0.20 1.12 0.40 -0.94 -3.05 117.98 118.31 1de1 s PHE 2 Ca 0.00 1.53 -0.02 0.00 -0.60 0.00 0.00 56.93 57.84 1de1 s PHE 2 Cb 0.00 -3.02 -0.00 0.00 0.51 0.00 0.00 43.02 40.51 1de1 s PHE 2 CO 0.00 -0.99 -0.09 0.15 0.70 0.00 0.00 175.22 174.98 1de1 s LYS 3 N -3.80 3.28 -0.19 0.44 3.01 0.31 0.40 119.74 123.18 1de1 s LYS 3 Ca 0.65 -0.68 -0.07 0.00 -1.01 0.00 0.00 55.97 54.85 1de1 s LYS 3 Cb -0.16 -2.86 -0.04 0.00 -1.01 0.00 0.00 37.83 33.76 1de1 s LYS 3 CO 0.31 -0.17 0.06 0.08 0.51 0.00 0.00 175.35 176.14 1de1 s VAL 4 N 1.34 4.66 -0.53 3.17 1.01 -0.96 0.99 120.40 130.07 1de1 s VAL 4 Ca 0.04 -0.08 -0.12 0.00 0.00 0.00 0.00 61.98 61.83 1de1 s VAL 4 Cb -0.14 -3.11 0.13 0.00 0.00 0.00 0.00 36.38 33.26 1de1 s VAL 4 CO -0.05 0.44 0.44 -0.31 0.00 0.00 0.00 175.10 175.62 1de1 s TYR 5 N 0.61 3.39 0.00 5.22 1.51 0.51 -1.50 117.35 127.09 1de1 s TYR 5 Ca 0.03 -1.69 0.00 0.00 -1.01 0.00 0.00 57.07 54.40 1de1 s TYR 5 Cb -0.13 -3.63 0.00 0.00 -0.11 0.00 0.00 41.96 38.09 1de1 s TYR 5 CO 0.01 -1.00 0.00 0.41 -1.11 0.00 0.00 175.55 173.87 1de1 n GLY 6 N 4.91 3.57 3.34 0.71 0.00 -1.01 0.12 105.19 116.82 1de1 n GLY 6 Ca -0.08 -0.11 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 1de1 n GLY 6 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1de1 s TYR 7 N 0.17 2.28 -0.41 1.61 1.51 -1.26 -2.17 117.35 119.08 1de1 s TYR 7 Ca 0.00 -0.41 0.10 0.00 -1.01 0.00 0.00 57.07 55.75 1de1 s TYR 7 Cb 0.00 -1.37 0.31 0.00 -0.11 0.00 0.00 41.96 40.79 1de1 s TYR 7 CO 0.00 0.13 0.68 -0.40 -1.11 0.00 0.00 175.55 174.84 1de1 n ASP 8 N 1.76 1.13 0.00 2.29 5.68 -1.26 -4.88 116.55 121.28 1de1 n ASP 8 Ca -0.17 -2.99 0.00 0.00 -0.50 0.00 0.00 54.79 51.13 1de1 n ASP 8 Cb 0.52 -0.62 0.00 0.00 -1.14 0.00 0.00 41.12 39.88 1de1 n ASP 8 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 1de1 n SER 9 N 0.67 0.00 -0.33 -1.12 2.88 -1.26 -4.98 113.62 109.48 1de1 n SER 9 Ca 0.24 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.92 1de1 n SER 9 Cb 0.57 0.00 0.59 0.00 -0.75 0.00 0.00 64.21 64.62 1de1 n SER 9 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1de1 n ASN 10 N 0.32 1.01 -0.11 -3.46 4.13 -1.26 -3.36 115.26 112.53 1de1 n ASN 10 Ca 0.00 -1.42 0.13 0.00 1.68 0.00 0.00 54.58 54.97 1de1 n ASN 10 Cb 0.00 -0.02 0.48 0.00 -1.54 0.00 0.00 39.78 38.69 1de1 n ASN 10 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1de1 n ILE 11 N -0.18 0.00 -3.60 2.41 3.06 -1.26 -4.90 119.36 114.89 1de1 n ILE 11 Ca 0.19 -0.06 -0.11 0.00 -2.50 0.00 0.00 62.75 60.28 1de1 n ILE 11 Cb 0.26 0.05 -0.03 0.00 0.54 0.00 0.00 39.64 40.45 1de1 n ILE 11 CO 0.00 0.00 0.00 -2.28 -2.50 0.00 0.00 176.55 171.77 1de1 s HIS 12 N -2.66 -0.30 0.81 9.51 2.46 -1.21 -4.82 115.29 119.07 1de1 s HIS 12 Ca 0.22 0.01 -0.12 0.00 0.47 0.00 0.00 55.06 55.65 1de1 s HIS 12 Cb 0.19 0.44 0.08 0.00 -0.13 0.00 0.00 32.58 33.16 1de1 s HIS 12 CO 0.54 -0.85 1.11 0.15 -2.47 0.00 0.00 174.74 173.22 1de1 s LYS 13 N -3.81 1.98 0.00 2.88 -0.14 -1.26 -4.62 119.74 114.77 1de1 s LYS 13 Ca 0.04 0.53 0.00 0.00 -1.36 0.00 0.00 55.97 55.18 1de1 s LYS 13 Cb -0.00 -1.92 0.00 0.00 -1.68 0.00 0.00 37.83 34.23 1de1 s LYS 13 CO -0.09 -1.67 0.00 0.00 -0.76 0.00 0.00 175.35 172.83 1de1 h VAL 15 N 0.00 0.94 0.00 0.00 -1.51 -1.98 -3.36 116.25 110.34 1de1 h VAL 15 Ca 0.00 -2.21 0.00 0.00 -1.23 0.00 0.00 66.70 63.26 1de1 h VAL 15 Cb 0.00 2.32 0.00 0.00 -2.13 0.00 0.00 31.29 31.48 1de1 h VAL 15 CO 0.00 0.38 0.00 -1.22 -1.23 0.00 0.00 177.57 175.50 1de1 n TYR 16 N -4.35 0.51 0.06 5.19 4.02 -1.26 -3.14 117.16 118.18 1de1 n TYR 16 Ca -0.31 0.19 -0.12 0.00 -0.01 0.00 0.00 57.90 57.66 1de1 n TYR 16 Cb 0.71 -0.81 -0.09 0.00 -0.02 0.00 0.00 39.34 39.13 1de1 n TYR 16 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1de1 h ASP 18 N -0.72 0.00 0.45 0.00 1.82 -1.69 -2.09 116.42 114.20 1de1 h ASP 18 Ca -0.02 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.60 1de1 h ASP 18 Cb 0.51 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.53 1de1 h ASP 18 CO 0.03 0.00 -0.22 0.78 -1.61 0.00 0.00 179.24 178.22 1de1 h ASN 19 N 0.00 -0.52 -0.94 2.28 2.35 -1.63 -2.95 115.58 114.18 1de1 h ASN 19 Ca 0.19 -0.01 0.14 0.00 -0.55 0.00 0.00 56.30 56.07 1de1 h ASN 19 Cb 0.99 0.13 -0.08 0.00 0.05 0.00 0.00 38.32 39.42 1de1 h ASN 19 CO -0.00 -0.09 0.60 0.00 -1.65 0.00 0.00 177.43 176.29 1de1 h ALA 20 N -1.08 1.73 0.16 -0.83 0.00 -1.27 -1.14 119.26 116.83 1de1 h ALA 20 Ca -0.06 0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.88 1de1 h ALA 20 Cb 0.50 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1de1 h ALA 20 CO 0.10 0.00 -0.17 -0.22 0.00 0.00 0.00 179.25 178.97 1de1 h LYS 21 N 0.78 -0.34 -0.73 0.00 3.64 -1.46 0.02 116.57 118.48 1de1 h LYS 21 Ca 0.48 0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.88 1de1 h LYS 21 Cb 0.69 0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.55 1de1 h LYS 21 CO -0.24 -0.23 0.44 -0.09 -2.27 0.00 0.00 179.45 177.06 1de1 h ARG 22 N -0.36 0.99 0.34 1.90 9.65 -1.18 -1.75 114.38 123.97 1de1 h ARG 22 Ca 0.01 -0.09 -0.02 0.00 -1.10 0.00 0.00 59.98 58.78 1de1 h ARG 22 Cb 0.34 -0.21 0.00 0.00 -1.39 0.00 0.00 29.97 28.72 1de1 h ARG 22 CO -0.05 0.70 -0.16 1.25 2.80 0.00 0.00 179.97 184.51 1de1 h LEU 23 N 1.01 -0.38 -0.26 3.80 6.46 -0.66 -1.44 115.31 123.84 1de1 h LEU 23 Ca 0.26 0.01 0.04 0.00 -0.12 0.00 0.00 57.88 58.07 1de1 h LEU 23 Cb -0.04 0.10 -0.03 0.00 -0.73 0.00 0.00 40.66 39.96 1de1 h LEU 23 CO -0.05 -0.27 0.05 -0.07 -0.62 0.00 0.00 178.44 177.49 1de1 h LEU 24 N -0.46 0.01 -1.21 2.25 3.38 -0.73 0.99 115.31 119.54 1de1 h LEU 24 Ca -0.05 0.04 0.13 0.00 0.09 0.00 0.00 57.88 58.09 1de1 h LEU 24 Cb 0.35 0.05 -0.07 0.00 0.09 0.00 0.00 40.66 41.09 1de1 h LEU 24 CO 0.08 0.04 0.58 0.74 0.09 0.00 0.00 178.44 179.97 1de1 h THR 25 N 0.15 0.88 0.06 0.22 2.02 -1.21 0.89 112.91 115.92 1de1 h THR 25 Ca 0.12 -0.27 -0.24 0.00 0.77 0.00 0.00 66.41 66.79 1de1 h THR 25 Cb 0.12 0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 66.54 1de1 h THR 25 CO -0.16 0.14 -1.10 0.58 0.37 0.00 0.00 175.52 175.36 1de1 h VAL 26 N 0.79 1.59 0.00 3.16 2.07 -0.13 -3.17 116.25 120.56 1de1 h VAL 26 Ca 0.45 -3.17 0.00 0.00 0.82 0.00 0.00 66.70 64.80 1de1 h VAL 26 Cb 0.61 2.85 0.00 0.00 -1.52 0.00 0.00 31.29 33.23 1de1 h VAL 26 CO -0.21 0.92 0.00 1.17 0.02 0.00 0.00 177.57 179.46 1de1 n LYS 27 N -3.47 0.07 -2.74 1.57 3.00 0.33 -4.90 118.16 112.02 1de1 n LYS 27 Ca -0.04 0.24 -0.08 0.00 -0.00 0.00 0.00 58.31 58.43 1de1 n LYS 27 Cb 0.96 -1.62 0.03 0.00 0.00 0.00 0.00 35.03 34.40 1de1 n LYS 27 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1de1 n LYS 28 N -1.75 -2.67 -4.24 1.64 4.81 0.11 -5.04 118.16 111.02 1de1 n LYS 28 Ca 0.04 0.30 -0.22 0.00 -0.87 0.00 0.00 58.31 57.56 1de1 n LYS 28 Cb 0.24 -3.71 -0.17 0.00 0.02 0.00 0.00 35.03 31.42 1de1 n LYS 28 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 1de1 s GLN 29 N -5.08 1.16 0.62 1.64 1.11 -0.85 -5.06 119.66 113.21 1de1 s GLN 29 Ca 0.13 -0.20 -0.12 0.00 0.01 0.00 0.00 55.36 55.17 1de1 s GLN 29 Cb -0.06 -1.11 -0.03 0.00 -1.01 0.00 0.00 33.01 30.81 1de1 s GLN 29 CO 0.26 -0.08 1.03 -1.25 0.01 0.00 0.00 175.29 175.26 1de1 s PRO 30 N 1.00 3.44 0.27 2.91 0.04 -1.26 -4.36 135.00 137.03 1de1 s PRO 30 Ca -0.09 0.89 -0.21 0.00 0.04 0.00 0.00 61.00 61.62 1de1 s PRO 30 Cb -0.14 -2.06 0.03 0.00 0.04 0.00 0.00 34.50 32.37 1de1 s PRO 30 CO -0.00 -0.70 0.78 -0.59 0.04 0.00 0.00 177.00 176.54 1de1 s PHE 31 N -2.98 -0.13 -0.03 0.56 -0.71 -1.26 -2.22 117.98 111.21 1de1 s PHE 31 Ca 0.57 -0.32 0.01 0.00 -1.04 0.00 0.00 56.93 56.16 1de1 s PHE 31 Cb -0.12 0.71 0.01 0.00 -1.21 0.00 0.00 43.02 42.41 1de1 s PHE 31 CO 0.49 -1.19 -0.04 -1.21 -1.34 0.00 0.00 175.22 171.93 1de1 s GLU 32 N -3.56 0.61 0.44 1.99 0.41 0.16 -4.81 118.70 113.94 1de1 s GLU 32 Ca 0.12 -0.11 -0.04 0.00 -0.41 0.00 0.00 54.97 54.53 1de1 s GLU 32 Cb -0.05 -0.63 -0.04 0.00 -1.78 0.00 0.00 34.13 31.63 1de1 s GLU 32 CO 0.07 -0.01 0.72 0.12 -0.49 0.00 0.00 175.26 175.66 1de1 s PHE 33 N 0.54 3.54 -0.16 1.61 5.36 -1.26 -2.26 117.98 125.36 1de1 s PHE 33 Ca -0.07 0.70 -0.06 0.00 -0.96 0.00 0.00 56.93 56.54 1de1 s PHE 33 Cb -0.10 -2.20 0.07 0.00 -0.34 0.00 0.00 43.02 40.45 1de1 s PHE 33 CO -0.00 -0.16 0.33 0.42 -1.46 0.00 0.00 175.22 174.35 1de1 s ILE 34 N -2.62 -0.41 -0.24 3.12 1.01 -0.56 -4.86 121.20 116.65 1de1 s ILE 34 Ca 0.45 0.20 -0.23 0.00 0.00 0.00 0.00 60.65 61.08 1de1 s ILE 34 Cb -0.10 -0.54 -0.01 0.00 0.01 0.00 0.00 42.46 41.82 1de1 s ILE 34 CO 0.42 0.09 0.77 0.21 0.00 0.00 0.00 174.94 176.43 1de1 s ASN 35 N 2.24 6.77 0.00 3.58 3.84 -1.26 -2.42 114.94 127.70 1de1 s ASN 35 Ca -0.02 0.96 0.26 0.00 0.21 0.00 0.00 52.86 54.27 1de1 s ASN 35 Cb -0.11 -2.41 0.65 0.00 -0.55 0.00 0.00 41.25 38.83 1de1 s ASN 35 CO -0.11 -0.46 1.52 2.30 -2.79 0.00 0.00 177.10 177.57 1de1 n ILE 36 N 5.17 0.02 -4.00 -5.21 -0.00 -0.92 -4.72 119.36 109.70 1de1 n ILE 36 Ca 0.04 -0.37 -0.31 0.00 -0.00 0.00 0.00 62.75 62.10 1de1 n ILE 36 Cb 0.48 0.93 -0.15 0.00 -0.00 0.00 0.00 39.64 40.91 1de1 n ILE 36 CO 0.00 0.00 0.00 -0.32 -0.00 0.00 0.00 176.55 176.23 1de1 s MET 37 N -1.98 1.61 0.37 6.28 0.00 -1.26 0.19 119.30 124.52 1de1 s MET 37 Ca 0.34 -2.08 0.20 0.00 0.00 0.00 0.00 55.69 54.15 1de1 s MET 37 Cb 0.20 -3.23 0.42 0.00 0.00 0.00 0.00 34.83 32.22 1de1 s MET 37 CO 0.32 -0.99 1.61 -1.00 0.00 0.00 0.00 175.02 174.96 1de1 h PRO 38 N 7.31 0.00 -3.70 4.11 0.13 -1.85 -3.46 132.00 134.54 1de1 h PRO 38 Ca -0.05 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.92 1de1 h PRO 38 Cb 0.98 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 31.90 1de1 h PRO 38 CO 0.57 0.28 -0.59 -2.00 -0.23 0.00 0.00 178.00 176.02 1de1 s GLU 39 N -3.23 0.36 0.00 0.86 2.12 -1.25 -5.01 118.70 112.54 1de1 s GLU 39 Ca 0.04 -0.41 0.07 0.00 0.36 0.00 0.00 54.97 55.03 1de1 s GLU 39 Cb 0.08 0.14 0.31 0.00 0.26 0.00 0.00 34.13 34.92 1de1 s GLU 39 CO 0.69 -0.07 1.13 0.36 -0.54 0.00 0.00 175.26 176.83 1de1 n LYS 40 N 1.74 0.05 -0.06 4.30 -0.00 -1.26 -2.87 118.16 120.06 1de1 n LYS 40 Ca -0.22 0.30 -0.05 0.00 -0.00 0.00 0.00 58.31 58.35 1de1 n LYS 40 Cb 0.56 -1.50 -0.04 0.00 -0.00 0.00 0.00 35.03 34.05 1de1 n LYS 40 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 1de1 h GLY 41 N 1.12 0.00 -4.85 2.58 0.00 -1.97 -3.49 103.07 96.47 1de1 h GLY 41 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.20 1de1 h GLY 41 CO 0.00 0.00 -0.35 0.14 0.00 0.00 0.00 176.54 176.33 1de1 s VAL 42 N -1.82 0.04 1.22 4.60 1.01 -1.14 -5.16 120.40 119.15 1de1 s VAL 42 Ca -0.07 -0.34 -0.13 0.00 0.00 0.00 0.00 61.98 61.43 1de1 s VAL 42 Cb -0.00 -0.51 0.31 0.00 0.00 0.00 0.00 36.38 36.17 1de1 s VAL 42 CO 0.21 -0.19 0.99 0.49 0.00 0.00 0.00 175.10 176.60 1de1 n PHE 43 N 1.90 -1.56 -2.28 5.22 3.72 -1.26 -3.95 117.46 119.25 1de1 n PHE 43 Ca -0.19 -0.23 -0.39 0.00 -0.05 0.00 0.00 57.45 56.59 1de1 n PHE 43 Cb 0.57 -1.66 -0.03 0.00 -0.94 0.00 0.00 39.48 37.42 1de1 n PHE 43 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1de1 s ASP 44 N -2.39 5.69 0.61 4.37 -1.08 0.50 -4.78 116.67 119.59 1de1 s ASP 44 Ca 0.69 -0.16 0.27 0.00 -0.52 0.00 0.00 52.55 52.83 1de1 s ASP 44 Cb -0.25 -2.55 1.38 0.00 -1.46 0.00 0.00 42.92 40.04 1de1 s ASP 44 CO 0.66 -2.14 1.79 -2.24 0.52 0.00 0.00 175.17 173.76 1de1 h ASP 45 N 12.41 0.00 0.71 -0.34 2.03 -1.89 0.46 116.42 129.81 1de1 h ASP 45 Ca -0.21 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 56.05 1de1 h ASP 45 Cb 1.10 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 39.60 1de1 h ASP 45 CO 1.26 0.00 -0.34 -0.08 -1.03 0.00 0.00 179.24 179.05 1de1 h GLU 46 N 0.00 -0.92 -0.35 4.15 4.81 -1.97 -2.25 114.58 118.06 1de1 h GLU 46 Ca 0.18 0.06 -0.16 0.00 -0.13 0.00 0.00 59.36 59.31 1de1 h GLU 46 Cb 1.27 0.21 -0.01 0.00 0.63 0.00 0.00 28.75 30.85 1de1 h GLU 46 CO -0.00 -0.59 -0.40 -0.22 -0.73 0.00 0.00 179.01 177.07 1de1 h LYS 47 N -1.20 0.86 -0.66 1.92 3.64 -1.70 -2.99 116.57 116.44 1de1 h LYS 47 Ca -0.10 -0.46 0.14 0.00 -1.27 0.00 0.00 60.65 58.96 1de1 h LYS 47 Cb 0.75 0.02 -0.10 0.00 -0.41 0.00 0.00 32.23 32.49 1de1 h LYS 47 CO 0.16 1.10 0.11 0.82 -2.27 0.00 0.00 179.45 179.37 1de1 h ILE 48 N 0.70 0.55 0.38 2.00 1.08 -0.99 0.98 117.51 122.20 1de1 h ILE 48 Ca 0.05 -0.08 -0.02 0.00 -0.39 0.00 0.00 64.86 64.43 1de1 h ILE 48 Cb 0.98 0.30 0.00 0.00 -3.07 0.00 0.00 36.82 35.04 1de1 h ILE 48 CO 0.09 0.04 -0.18 0.00 -0.69 0.00 0.00 178.15 177.41 1de1 h ALA 49 N 1.56 -0.52 0.00 1.87 0.00 -1.34 -2.51 119.26 118.32 1de1 h ALA 49 Ca 0.36 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1de1 h ALA 49 Cb 0.58 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 1de1 h ALA 49 CO -0.48 -0.71 -0.03 1.05 0.00 0.00 0.00 179.25 179.08 1de1 h GLU 50 N -0.67 0.00 0.81 0.00 4.11 -1.24 -3.02 114.58 114.57 1de1 h GLU 50 Ca -0.05 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.34 1de1 h GLU 50 Cb 0.48 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.74 1de1 h GLU 50 CO 0.09 0.03 -0.39 1.25 0.07 0.00 0.00 179.01 180.05 1de1 h LEU 51 N 0.00 -0.92 -0.47 3.06 6.46 0.14 0.57 115.31 124.14 1de1 h LEU 51 Ca -0.00 0.03 0.09 0.00 -0.12 0.00 0.00 57.88 57.89 1de1 h LEU 51 Cb 0.22 0.24 -0.08 0.00 -0.73 0.00 0.00 40.66 40.31 1de1 h LEU 51 CO 0.00 -0.61 -0.06 -0.07 -0.62 0.00 0.00 178.44 177.09 1de1 h LEU 52 N -1.19 -0.32 -0.97 2.25 4.07 -1.40 0.23 115.31 117.99 1de1 h LEU 52 Ca -0.11 0.13 0.14 0.00 0.08 0.00 0.00 57.88 58.12 1de1 h LEU 52 Cb 0.83 0.25 -0.09 0.00 1.08 0.00 0.00 40.66 42.73 1de1 h LEU 52 CO 0.18 -0.11 0.58 0.74 -1.08 0.00 0.00 178.44 178.75 1de1 h THR 53 N 0.06 0.82 -0.47 0.22 2.02 -1.47 0.97 112.91 115.06 1de1 h THR 53 Ca 0.23 -0.29 -0.12 0.00 0.77 0.00 0.00 66.41 67.00 1de1 h THR 53 Cb 0.36 -0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 66.65 1de1 h THR 53 CO -0.44 0.16 -0.18 0.11 0.37 0.00 0.00 175.52 175.54 1de1 h LYS 54 N 0.85 0.92 -0.82 6.66 1.79 0.17 -2.82 116.57 123.32 1de1 h LYS 54 Ca 0.51 -0.36 0.01 0.00 -2.18 0.00 0.00 60.65 58.63 1de1 h LYS 54 Cb 0.64 -0.05 -0.04 0.00 -1.58 0.00 0.00 32.23 31.20 1de1 h LYS 54 CO -0.32 1.02 0.54 -0.07 -1.08 0.00 0.00 179.45 179.55 1de1 h LEU 55 N 0.81 0.94 0.00 2.94 3.38 0.17 -3.39 115.31 120.16 1de1 h LEU 55 Ca 0.12 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1de1 h LEU 55 Cb 0.72 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1de1 h LEU 55 CO 0.06 0.68 0.00 0.61 0.09 0.00 0.00 178.44 179.87 1de1 n GLY 56 N -1.41 -0.73 1.03 0.83 0.00 -0.36 -4.84 105.19 99.71 1de1 n GLY 56 Ca 0.09 0.58 -0.01 0.00 0.00 0.00 0.00 46.02 46.69 1de1 n GLY 56 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1de1 n ARG 57 N 0.00 0.00 0.00 1.61 0.63 -1.26 -4.55 116.66 113.09 1de1 n ARG 57 Ca 0.00 -1.19 0.00 0.00 -0.92 0.00 0.00 57.85 55.74 1de1 n ARG 57 Cb 0.00 0.11 0.00 0.00 0.45 0.00 0.00 32.46 33.02 1de1 n ARG 57 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1de1 n ASP 58 N 0.17 0.00 -4.63 6.15 8.00 -1.26 -5.06 116.55 119.91 1de1 n ASP 58 Ca -0.08 0.00 -0.28 0.00 0.71 0.00 0.00 54.79 55.13 1de1 n ASP 58 Cb 0.82 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 41.82 1de1 n ASP 58 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1de1 s THR 59 N 2.90 1.93 -0.72 -3.53 -1.32 -1.26 -4.70 115.64 108.94 1de1 s THR 59 Ca 0.00 -2.00 -0.26 0.00 -1.21 0.00 0.00 61.69 58.22 1de1 s THR 59 Cb 0.00 -2.94 -0.00 0.00 -1.51 0.00 0.00 72.50 68.05 1de1 s THR 59 CO 0.00 0.00 1.65 0.00 -2.21 0.00 0.00 174.62 174.06 1de1 s GLN 60 N -3.72 2.87 -1.29 7.08 -2.07 -1.26 -4.90 119.66 116.37 1de1 s GLN 60 Ca 0.33 0.10 -0.18 0.00 -1.82 0.00 0.00 55.36 53.78 1de1 s GLN 60 Cb 0.09 -4.48 0.07 0.00 -1.09 0.00 0.00 33.01 27.61 1de1 s GLN 60 CO 0.17 -2.58 1.73 0.42 -1.32 0.00 0.00 175.29 173.70 1de1 s ILE 61 N 7.81 4.12 -0.95 3.63 1.01 -1.26 -4.33 121.20 131.24 1de1 s ILE 61 Ca 0.56 -1.89 0.00 0.00 0.00 0.00 0.00 60.65 59.32 1de1 s ILE 61 Cb -0.09 -5.19 0.00 0.00 0.01 0.00 0.00 42.46 37.18 1de1 s ILE 61 CO 0.14 -2.02 0.00 0.61 0.00 0.00 0.00 174.94 173.67 1de1 n GLY 62 N 5.44 0.07 3.22 6.18 0.00 -1.26 -4.88 105.19 113.96 1de1 n GLY 62 Ca 0.48 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.16 1de1 n GLY 62 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1de1 n LEU 63 N -2.33 -2.44 -4.34 0.99 -0.00 -1.26 -5.02 117.00 102.59 1de1 n LEU 63 Ca -0.11 0.03 -0.18 0.00 -0.00 0.00 0.00 56.01 55.74 1de1 n LEU 63 Cb 0.49 -0.89 -0.10 0.00 -0.00 0.00 0.00 43.42 42.92 1de1 n LEU 63 CO 0.15 -3.38 -0.43 0.42 -0.00 0.00 0.00 177.39 174.14 1de1 s THR 64 N -2.19 1.67 0.21 1.47 -4.23 -1.26 -5.16 115.64 106.14 1de1 s THR 64 Ca 0.50 -2.19 0.11 0.00 -1.18 0.00 0.00 61.69 58.93 1de1 s THR 64 Cb -0.09 -2.05 -0.05 0.00 1.34 0.00 0.00 72.50 71.65 1de1 s THR 64 CO 0.68 -0.59 -0.23 -0.04 -0.54 0.00 0.00 174.62 173.90 1de1 s MET 65 N -3.66 1.54 0.33 3.99 -1.94 -1.26 -3.95 119.30 114.34 1de1 s MET 65 Ca 0.22 -1.57 -0.27 0.00 -1.71 0.00 0.00 55.69 52.36 1de1 s MET 65 Cb -0.00 -1.81 -0.09 0.00 2.01 0.00 0.00 34.83 34.94 1de1 s MET 65 CO 0.06 0.38 1.04 -2.14 -0.01 0.00 0.00 175.02 174.35 1de1 s PRO 66 N -2.84 4.48 -0.27 2.03 0.02 -1.26 -5.01 135.00 132.14 1de1 s PRO 66 Ca 0.22 1.58 -0.13 0.00 0.02 0.00 0.00 61.00 62.70 1de1 s PRO 66 Cb -0.07 -2.89 -0.04 0.00 0.02 0.00 0.00 34.50 31.51 1de1 s PRO 66 CO 0.11 0.12 0.27 -1.14 -0.33 0.00 0.00 177.00 176.03 1de1 s GLN 67 N -1.91 3.99 0.36 5.54 0.74 0.31 -4.22 119.66 124.47 1de1 s GLN 67 Ca 0.50 -0.15 -0.02 0.00 0.05 0.00 0.00 55.36 55.74 1de1 s GLN 67 Cb -0.25 -3.65 -0.04 0.00 1.10 0.00 0.00 33.01 30.17 1de1 s GLN 67 CO 0.32 -0.21 0.60 0.08 -0.55 0.00 0.00 175.29 175.52 1de1 s VAL 68 N 1.87 5.05 0.00 1.34 1.01 0.30 0.19 120.40 130.16 1de1 s VAL 68 Ca 0.11 -0.22 -0.04 0.00 0.00 0.00 0.00 61.98 61.83 1de1 s VAL 68 Cb -0.16 -3.84 -0.01 0.00 0.00 0.00 0.00 36.38 32.38 1de1 s VAL 68 CO 0.10 -0.57 0.06 -0.36 0.00 0.00 0.00 175.10 174.34 1de1 s PHE 69 N -2.35 0.10 0.74 5.22 0.08 0.28 -2.91 117.98 119.13 1de1 s PHE 69 Ca 0.42 -0.23 -0.15 0.00 0.12 0.00 0.00 56.93 57.09 1de1 s PHE 69 Cb -0.10 -0.09 0.04 0.00 -0.57 0.00 0.00 43.02 42.30 1de1 s PHE 69 CO 0.36 -0.21 1.23 0.00 -0.10 0.00 0.00 175.22 176.50 1de1 s ALA 70 N -1.19 2.09 -0.62 5.36 0.00 0.19 -0.53 121.76 127.06 1de1 s ALA 70 Ca -0.13 0.95 -0.04 0.00 0.00 0.00 0.00 51.96 52.74 1de1 s ALA 70 Cb -0.07 -3.50 -0.04 0.00 0.00 0.00 0.00 23.12 19.51 1de1 s ALA 70 CO 0.00 -1.95 1.79 -2.30 0.00 0.00 0.00 175.76 173.31 1de1 n PRO 71 N -2.72 1.46 0.00 0.00 -0.02 -1.17 -2.92 135.00 129.64 1de1 n PRO 71 Ca 0.14 -1.14 0.00 0.00 -2.02 0.00 0.00 63.50 60.48 1de1 n PRO 71 Cb 0.50 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 1de1 n PRO 71 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1de1 n ASP 72 N 4.33 0.00 0.00 2.55 5.75 -1.26 -4.69 116.55 123.24 1de1 n ASP 72 Ca 0.31 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 55.09 1de1 n ASP 72 Cb 0.11 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.20 1de1 n ASP 72 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1de1 n GLY 73 N -1.47 0.51 1.71 6.12 0.00 -1.15 -5.17 105.19 105.75 1de1 n GLY 73 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 1de1 n GLY 73 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1de1 n SER 74 N 0.00 -0.65 -4.73 1.61 2.88 -1.26 -4.89 113.62 106.58 1de1 n SER 74 Ca 0.00 -1.99 -0.42 0.00 -1.33 0.00 0.00 58.87 55.14 1de1 n SER 74 Cb 0.00 1.24 -0.03 0.00 -0.75 0.00 0.00 64.21 64.67 1de1 n SER 74 CO 0.00 0.00 0.00 -2.28 -1.23 0.00 0.00 175.04 171.53 1de1 s HIS 75 N -3.78 3.36 -0.14 0.66 2.46 -1.26 0.58 115.29 117.16 1de1 s HIS 75 Ca 0.16 1.25 -0.00 0.00 0.47 0.00 0.00 55.06 56.93 1de1 s HIS 75 Cb -0.00 -3.51 -0.09 0.00 -0.13 0.00 0.00 32.58 28.85 1de1 s HIS 75 CO 0.11 -1.60 -0.13 -0.89 -2.47 0.00 0.00 174.74 169.75 1de1 n ILE 76 N 3.26 0.82 0.00 0.89 -0.00 -1.15 -4.85 119.36 118.33 1de1 n ILE 76 Ca 0.08 -0.30 0.00 0.00 -0.00 0.00 0.00 62.75 62.53 1de1 n ILE 76 Cb 0.44 -1.10 0.00 0.00 -0.00 0.00 0.00 39.64 38.99 1de1 n ILE 76 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1de1 n GLY 77 N 2.72 0.86 0.00 7.39 0.00 -1.16 -4.53 105.19 110.47 1de1 n GLY 77 Ca -0.26 -1.98 0.00 0.00 0.00 0.00 0.00 46.02 43.78 1de1 n GLY 77 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1de1 n GLY 78 N 0.00 1.08 0.00 -0.02 0.00 -1.26 0.11 105.19 105.10 1de1 n GLY 78 Ca 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 45.05 1de1 n GLY 78 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1de1 n PHE 79 N 0.00 0.00 -0.12 1.61 7.35 -1.26 -2.35 117.46 122.69 1de1 n PHE 79 Ca 0.00 0.00 -0.05 0.00 -0.76 0.00 0.00 57.45 56.64 1de1 n PHE 79 Cb 0.00 -0.47 0.03 0.00 0.35 0.00 0.00 39.48 39.39 1de1 n PHE 79 CO 0.00 0.00 0.00 0.22 -0.76 0.00 0.00 176.76 176.22 1de1 h ASP 80 N 0.00 0.15 -0.77 -2.13 1.82 -1.98 0.16 116.42 113.67 1de1 h ASP 80 Ca 0.00 0.05 0.15 0.00 -0.39 0.00 0.00 57.03 56.84 1de1 h ASP 80 Cb 0.00 0.03 -0.10 0.00 0.68 0.00 0.00 39.33 39.94 1de1 h ASP 80 CO 0.00 0.12 0.31 1.56 -1.61 0.00 0.00 179.24 179.62 1de1 h GLN 81 N 0.30 0.43 -0.02 0.28 7.50 -1.92 0.23 115.11 121.92 1de1 h GLN 81 Ca 0.19 -0.03 -0.18 0.00 0.50 0.00 0.00 58.65 59.13 1de1 h GLN 81 Cb 0.17 -0.10 -0.01 0.00 0.05 0.00 0.00 27.48 27.59 1de1 h GLN 81 CO -0.19 0.29 -0.79 1.25 -1.50 0.00 0.00 178.83 177.88 1de1 h LEU 82 N 0.44 0.27 -1.99 1.46 6.46 -0.95 -3.00 115.31 118.01 1de1 h LEU 82 Ca 0.43 -0.20 0.25 0.00 -0.12 0.00 0.00 57.88 58.24 1de1 h LEU 82 Cb 0.67 -0.08 -0.04 0.00 -0.73 0.00 0.00 40.66 40.48 1de1 h LEU 82 CO -0.42 0.96 0.62 -0.09 -0.62 0.00 0.00 178.44 178.89 1de1 h ARG 83 N 0.14 0.01 -0.24 1.25 2.43 0.14 1.52 114.38 119.63 1de1 h ARG 83 Ca -0.03 -0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 59.01 1de1 h ARG 83 Cb 1.38 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.92 1de1 h ARG 83 CO 0.12 0.00 -0.36 1.49 -1.51 0.00 0.00 179.97 179.71 1de1 h GLU 84 N 0.01 0.53 -0.37 0.20 4.57 -1.33 1.06 114.58 119.25 1de1 h GLU 84 Ca 0.41 -0.25 -0.03 0.00 -1.18 0.00 0.00 59.36 58.31 1de1 h GLU 84 Cb 1.64 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 30.21 1de1 h GLU 84 CO -0.01 0.82 0.12 -0.92 -1.18 0.00 0.00 179.01 177.84 1de1 h TYR 85 N 0.44 0.53 0.16 0.92 5.03 0.20 -2.82 116.97 121.44 1de1 h TYR 85 Ca 0.05 -0.02 -0.34 0.00 2.58 0.00 0.00 58.73 60.99 1de1 h TYR 85 Cb 0.84 -0.17 0.00 0.00 1.55 0.00 0.00 36.73 38.96 1de1 h TYR 85 CO 0.03 0.45 -1.75 0.74 -1.32 0.00 0.00 178.16 176.31 1de1 h PHE 86 N 0.53 0.61 0.00 -3.82 0.04 -0.75 -3.52 116.94 110.04 1de1 h PHE 86 Ca 0.13 -0.45 0.00 0.00 2.80 0.00 0.00 57.97 60.45 1de1 h PHE 86 Cb 0.16 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.29 1de1 h PHE 86 CO 0.01 1.62 0.00 1.63 -0.60 0.00 0.00 178.31 180.97