#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1de1 n PHE 2 N 0.00 1.96 -4.45 1.12 3.01 -0.79 -4.02 117.46 114.29 1de1 n PHE 2 Ca 0.00 0.43 -0.33 0.00 1.01 0.00 0.00 57.45 58.56 1de1 n PHE 2 Cb 0.00 -2.29 -0.16 0.00 -0.01 0.00 0.00 39.48 37.02 1de1 n PHE 2 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1de1 s LYS 3 N -3.17 3.06 -0.05 -1.08 3.01 -0.25 0.05 119.74 121.32 1de1 s LYS 3 Ca 0.79 -0.82 0.04 0.00 -1.01 0.00 0.00 55.97 54.97 1de1 s LYS 3 Cb -0.40 -2.53 -0.02 0.00 -1.01 0.00 0.00 37.83 33.87 1de1 s LYS 3 CO 0.44 -0.07 -0.15 0.08 0.51 0.00 0.00 175.35 176.15 1de1 s VAL 4 N 0.98 2.96 -0.34 3.17 1.01 -0.82 0.78 120.40 128.15 1de1 s VAL 4 Ca -0.03 -0.76 0.03 0.00 0.00 0.00 0.00 61.98 61.22 1de1 s VAL 4 Cb -0.15 -2.15 0.10 0.00 0.00 0.00 0.00 36.38 34.18 1de1 s VAL 4 CO -0.05 0.59 0.06 -0.31 0.00 0.00 0.00 175.10 175.39 1de1 s TYR 5 N -0.68 3.33 0.00 5.22 2.02 0.46 -1.57 117.35 126.13 1de1 s TYR 5 Ca 0.10 -2.75 0.00 0.00 -0.37 0.00 0.00 57.07 54.05 1de1 s TYR 5 Cb -0.11 -2.68 0.00 0.00 -0.40 0.00 0.00 41.96 38.78 1de1 s TYR 5 CO 0.01 -0.93 0.00 0.41 -1.57 0.00 0.00 175.55 173.46 1de1 n GLY 6 N 4.35 3.82 3.42 0.71 0.00 -0.78 0.00 105.19 116.70 1de1 n GLY 6 Ca 0.03 -0.26 -0.22 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.02 2.02 -0.07 1.61 2.02 -1.26 0.61 117.35 122.26 1de1 s TYR 7 Ca 0.00 -0.46 -0.06 0.00 -0.37 0.00 0.00 57.07 56.19 1de1 s TYR 7 Cb 0.00 -0.92 -0.02 0.00 -0.40 0.00 0.00 41.96 40.62 1de1 s TYR 7 CO 0.00 0.54 -0.11 -0.40 -1.57 0.00 0.00 175.55 174.01 1de1 n ASP 8 N -0.52 0.84 0.00 2.29 5.75 -1.25 -4.87 116.55 118.78 1de1 n ASP 8 Ca -0.06 0.33 0.00 0.00 -0.01 0.00 0.00 54.79 55.04 1de1 n ASP 8 Cb 0.60 -0.65 0.00 0.00 -1.03 0.00 0.00 41.12 40.05 1de1 n ASP 8 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1de1 n SER 9 N -3.35 0.00 -0.13 -1.12 7.64 -0.50 -4.66 113.62 111.51 1de1 n SER 9 Ca -0.04 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.74 1de1 n SER 9 Cb 0.16 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.35 1de1 n SER 9 CO 0.00 0.00 0.00 0.78 -3.01 0.00 0.00 175.04 172.81 1de1 h ASN 10 N 0.00 0.54 0.12 6.43 4.21 -1.98 -3.29 115.58 121.62 1de1 h ASN 10 Ca 0.00 -0.20 -0.34 0.00 1.21 0.00 0.00 56.30 56.97 1de1 h ASN 10 Cb 0.00 -0.14 -0.01 0.00 -1.12 0.00 0.00 38.32 37.05 1de1 h ASN 10 CO 0.00 0.59 -1.82 0.40 -1.29 0.00 0.00 177.43 175.31 1de1 h ILE 11 N 0.46 0.74 -3.04 2.81 1.08 -1.92 -3.48 117.51 114.17 1de1 h ILE 11 Ca 0.12 -2.36 -0.16 0.00 -0.39 0.00 0.00 64.86 62.08 1de1 h ILE 11 Cb 0.24 2.54 -0.26 0.00 -3.07 0.00 0.00 36.82 36.27 1de1 h ILE 11 CO -0.01 0.81 -0.40 -2.28 -0.69 0.00 0.00 178.15 175.59 1de1 s HIS 12 N -2.53 -0.32 0.51 1.37 2.46 -1.24 -4.77 115.29 110.77 1de1 s HIS 12 Ca -0.22 0.78 -0.15 0.00 0.47 0.00 0.00 55.06 55.94 1de1 s HIS 12 Cb 0.06 0.10 -0.07 0.00 -0.13 0.00 0.00 32.58 32.54 1de1 s HIS 12 CO 0.76 -0.17 0.97 -1.59 -2.47 0.00 0.00 174.74 172.24 1de1 s LYS 13 N 0.35 3.89 -0.30 2.88 0.00 -1.26 -1.40 119.74 123.90 1de1 s LYS 13 Ca -0.02 0.88 -0.11 0.00 0.00 0.00 0.00 55.97 56.72 1de1 s LYS 13 Cb -0.03 -2.16 0.14 0.00 0.00 0.00 0.00 37.83 35.78 1de1 s LYS 13 CO -0.01 -0.28 0.73 0.00 0.00 0.00 0.00 175.35 175.79 1de1 h VAL 15 N 5.88 0.29 0.00 0.00 -1.51 -1.98 -3.34 116.25 115.59 1de1 h VAL 15 Ca -0.18 -1.54 0.00 0.00 -1.23 0.00 0.00 66.70 63.76 1de1 h VAL 15 Cb 1.11 1.83 0.00 0.00 -2.13 0.00 0.00 31.29 32.10 1de1 h VAL 15 CO 0.10 0.16 -0.81 -1.22 -1.23 0.00 0.00 177.57 174.58 1de1 n TYR 16 N -2.84 0.51 -0.01 5.19 4.02 -1.26 -3.82 117.16 118.96 1de1 n TYR 16 Ca -0.04 0.15 -0.17 0.00 -0.01 0.00 0.00 57.90 57.83 1de1 n TYR 16 Cb 0.69 -0.62 -0.10 0.00 -0.02 0.00 0.00 39.34 39.29 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 0.04 0.37 -0.58 0.00 1.82 -1.72 -1.91 116.42 114.44 1de1 h ASP 18 Ca -0.06 -0.23 0.07 0.00 -0.39 0.00 0.00 57.03 56.42 1de1 h ASP 18 Cb 1.25 -0.10 -0.06 0.00 0.68 0.00 0.00 39.33 41.11 1de1 h ASP 18 CO 0.12 0.50 0.27 0.78 -1.61 0.00 0.00 179.24 179.30 1de1 h ASN 19 N 0.22 0.36 -0.60 2.28 2.35 -1.66 -1.79 115.58 116.74 1de1 h ASN 19 Ca 0.08 0.05 -0.07 0.00 -0.55 0.00 0.00 56.30 55.80 1de1 h ASN 19 Cb 0.27 -0.01 -0.03 0.00 0.05 0.00 0.00 38.32 38.60 1de1 h ASN 19 CO 0.00 0.23 0.11 0.00 -1.65 0.00 0.00 177.43 176.12 1de1 h ALA 20 N 1.34 1.01 -0.86 -0.83 0.00 -1.39 -2.48 119.26 116.05 1de1 h ALA 20 Ca 0.27 -0.25 0.16 0.00 0.00 0.00 0.00 54.91 55.09 1de1 h ALA 20 Cb 0.23 -0.24 -0.10 0.00 0.00 0.00 0.00 17.79 17.68 1de1 h ALA 20 CO -0.21 0.63 0.42 -0.22 0.00 0.00 0.00 179.25 179.87 1de1 h LYS 21 N 0.95 0.55 0.00 0.00 3.64 -0.50 0.43 116.57 121.65 1de1 h LYS 21 Ca 0.19 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.46 1de1 h LYS 21 Cb 0.40 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 1de1 h LYS 21 CO 0.01 0.36 -0.40 -0.09 -2.27 0.00 0.00 179.45 177.06 1de1 h ARG 22 N 0.57 0.00 0.39 1.90 2.43 -1.22 -2.97 114.38 115.47 1de1 h ARG 22 Ca 0.48 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.65 1de1 h ARG 22 Cb 0.75 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.28 1de1 h ARG 22 CO -0.40 0.40 -0.31 1.25 -1.51 0.00 0.00 179.97 179.40 1de1 h LEU 23 N 0.00 -0.82 -0.27 3.80 6.46 0.30 0.30 115.31 125.07 1de1 h LEU 23 Ca -0.00 0.06 -0.01 0.00 -0.12 0.00 0.00 57.88 57.81 1de1 h LEU 23 Cb 0.97 0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 41.16 1de1 h LEU 23 CO 0.05 -0.46 0.13 -0.07 -0.62 0.00 0.00 178.44 177.47 1de1 h LEU 24 N -0.70 0.36 -1.69 2.25 3.38 -1.50 -1.72 115.31 115.68 1de1 h LEU 24 Ca -0.03 -0.13 0.17 0.00 0.09 0.00 0.00 57.88 57.99 1de1 h LEU 24 Cb 0.61 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.22 1de1 h LEU 24 CO -0.02 0.38 0.52 0.74 0.09 0.00 0.00 178.44 180.16 1de1 h THR 25 N 0.31 0.73 -0.00 0.22 2.02 -1.35 0.36 112.91 115.20 1de1 h THR 25 Ca 0.09 -0.10 -0.17 0.00 0.77 0.00 0.00 66.41 67.01 1de1 h THR 25 Cb 0.12 0.42 -0.02 0.00 -1.74 0.00 0.00 68.15 66.93 1de1 h THR 25 CO -0.01 0.05 -0.79 0.58 0.37 0.00 0.00 175.52 175.72 1de1 h VAL 26 N 0.28 1.56 0.00 3.16 2.07 -0.24 -3.02 116.25 120.06 1de1 h VAL 26 Ca 0.38 -2.68 0.00 0.00 0.82 0.00 0.00 66.70 65.22 1de1 h VAL 26 Cb 1.05 2.45 0.00 0.00 -1.52 0.00 0.00 31.29 33.27 1de1 h VAL 26 CO -0.10 0.77 0.00 0.29 0.02 0.00 0.00 177.57 178.55 1de1 n LYS 27 N -3.61 0.01 -3.33 1.57 4.76 0.12 -4.92 118.16 112.76 1de1 n LYS 27 Ca -0.01 0.04 -0.18 0.00 -2.87 0.00 0.00 58.31 55.29 1de1 n LYS 27 Cb 0.76 -1.50 0.06 0.00 -1.84 0.00 0.00 35.03 32.51 1de1 n LYS 27 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 1de1 n LYS 28 N -1.49 -6.11 -4.73 1.97 2.85 -0.66 -5.03 118.16 104.97 1de1 n LYS 28 Ca 0.07 0.64 -0.28 0.00 -1.05 0.00 0.00 58.31 57.69 1de1 n LYS 28 Cb 0.31 -5.11 -0.14 0.00 -0.65 0.00 0.00 35.03 29.44 1de1 n LYS 28 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 1de1 s GLN 29 N -5.97 1.56 0.14 -1.58 -1.52 -1.21 -5.08 119.66 106.00 1de1 s GLN 29 Ca 0.43 -1.05 -0.30 0.00 -1.95 0.00 0.00 55.36 52.49 1de1 s GLN 29 Cb -0.19 -1.73 -0.07 0.00 -0.22 0.00 0.00 33.01 30.80 1de1 s GLN 29 CO 0.56 0.44 1.00 -1.25 -0.25 0.00 0.00 175.29 175.80 1de1 s PRO 30 N -1.29 4.68 0.19 2.91 0.04 -1.26 -4.62 135.00 135.65 1de1 s PRO 30 Ca 0.10 1.54 -0.07 0.00 0.04 0.00 0.00 61.00 62.60 1de1 s PRO 30 Cb -0.09 -3.34 -0.02 0.00 0.04 0.00 0.00 34.50 31.09 1de1 s PRO 30 CO 0.02 0.20 0.28 -0.59 0.04 0.00 0.00 177.00 176.95 1de1 s PHE 31 N -0.17 0.61 -0.06 0.56 -0.12 -1.26 -1.88 117.98 115.65 1de1 s PHE 31 Ca 0.47 -0.94 -0.01 0.00 -0.05 0.00 0.00 56.93 56.40 1de1 s PHE 31 Cb -0.25 -0.15 0.03 0.00 -0.63 0.00 0.00 43.02 42.02 1de1 s PHE 31 CO 0.32 -0.76 0.00 -1.21 -0.05 0.00 0.00 175.22 173.52 1de1 s GLU 32 N -4.03 0.53 0.26 1.99 0.41 0.11 -4.83 118.70 113.13 1de1 s GLU 32 Ca 0.24 0.11 -0.10 0.00 -0.41 0.00 0.00 54.97 54.81 1de1 s GLU 32 Cb 0.03 -0.86 -0.07 0.00 -1.78 0.00 0.00 34.13 31.45 1de1 s GLU 32 CO 0.05 -0.26 0.59 0.12 -0.49 0.00 0.00 175.26 175.27 1de1 s PHE 33 N 1.78 3.42 -0.09 1.61 5.36 -1.26 -1.95 117.98 126.84 1de1 s PHE 33 Ca 0.02 0.94 -0.04 0.00 -0.96 0.00 0.00 56.93 56.89 1de1 s PHE 33 Cb -0.13 -2.31 0.05 0.00 -0.34 0.00 0.00 43.02 40.29 1de1 s PHE 33 CO -0.04 0.22 0.17 0.42 -1.46 0.00 0.00 175.22 174.53 1de1 s ILE 34 N -1.88 -0.28 -0.46 3.12 1.01 -0.61 -4.90 121.20 117.20 1de1 s ILE 34 Ca 0.49 0.33 -0.29 0.00 0.00 0.00 0.00 60.65 61.18 1de1 s ILE 34 Cb -0.11 -0.33 0.02 0.00 0.01 0.00 0.00 42.46 42.06 1de1 s ILE 34 CO 0.21 0.13 1.25 0.54 0.00 0.00 0.00 174.94 177.07 1de1 s ASN 35 N 2.31 6.50 0.54 3.58 2.20 -1.26 -1.87 114.94 126.93 1de1 s ASN 35 Ca 0.03 0.56 0.19 0.00 -0.94 0.00 0.00 52.86 52.71 1de1 s ASN 35 Cb -0.12 -2.55 1.39 0.00 -2.00 0.00 0.00 41.25 37.97 1de1 s ASN 35 CO -0.06 -1.35 2.16 0.16 -2.94 0.00 0.00 177.10 175.07 1de1 h ILE 36 N 6.32 0.89 -3.22 0.54 3.07 -0.17 -3.31 117.51 121.63 1de1 h ILE 36 Ca -0.25 0.00 -0.63 0.00 1.55 0.00 0.00 64.86 65.53 1de1 h ILE 36 Cb 1.08 0.98 -0.41 0.00 -0.27 0.00 0.00 36.82 38.20 1de1 h ILE 36 CO 1.12 0.00 -0.64 -0.32 -1.05 0.00 0.00 178.15 177.26 1de1 s MET 37 N -4.98 1.99 0.00 0.16 0.00 -1.26 0.10 119.30 115.32 1de1 s MET 37 Ca -0.05 -2.73 0.24 0.00 0.00 0.00 0.00 55.69 53.15 1de1 s MET 37 Cb 0.17 -3.17 1.26 0.00 0.00 0.00 0.00 34.83 33.09 1de1 s MET 37 CO 0.65 -1.17 1.79 -0.35 0.00 0.00 0.00 175.02 175.93 1de1 n PRO 38 N 2.84 0.46 -3.86 4.11 -0.04 -1.25 -4.71 135.00 132.55 1de1 n PRO 38 Ca 0.10 0.05 -0.14 0.00 -0.04 0.00 0.00 63.50 63.47 1de1 n PRO 38 Cb 0.34 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.15 1de1 n PRO 38 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1de1 s GLU 39 N -2.40 0.04 0.00 0.54 2.02 -1.26 -4.94 118.70 112.69 1de1 s GLU 39 Ca 0.26 0.06 0.08 0.00 0.02 0.00 0.00 54.97 55.39 1de1 s GLU 39 Cb 0.16 -0.15 0.36 0.00 0.10 0.00 0.00 34.13 34.60 1de1 s GLU 39 CO 0.34 -0.06 1.17 1.17 0.02 0.00 0.00 175.26 177.89 1de1 n LYS 40 N 3.55 0.06 -0.04 1.61 4.81 -1.26 -3.18 118.16 123.72 1de1 n LYS 40 Ca -0.19 0.28 -0.02 0.00 -0.87 0.00 0.00 58.31 57.52 1de1 n LYS 40 Cb 0.56 -1.50 -0.01 0.00 0.02 0.00 0.00 35.03 34.10 1de1 n LYS 40 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 1de1 h GLY 41 N 1.29 0.00 -6.45 3.14 0.00 -1.96 -3.48 103.07 95.60 1de1 h GLY 41 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.05 1de1 h GLY 41 CO 0.00 0.00 -0.69 0.14 0.00 0.00 0.00 176.54 175.99 1de1 s VAL 42 N -1.57 -0.06 0.95 4.60 1.01 -1.19 -5.16 120.40 118.98 1de1 s VAL 42 Ca -0.06 0.21 -0.12 0.00 0.00 0.00 0.00 61.98 62.01 1de1 s VAL 42 Cb 0.01 -0.13 0.16 0.00 0.00 0.00 0.00 36.38 36.42 1de1 s VAL 42 CO 0.09 0.09 1.09 0.72 0.00 0.00 0.00 175.10 177.08 1de1 s PHE 43 N 1.12 2.16 -0.80 5.22 -0.71 -1.26 -4.22 117.98 119.49 1de1 s PHE 43 Ca -0.09 1.17 -0.25 0.00 -1.04 0.00 0.00 56.93 56.72 1de1 s PHE 43 Cb -0.13 -3.20 0.05 0.00 -1.21 0.00 0.00 43.02 38.54 1de1 s PHE 43 CO -0.04 -2.68 1.24 0.34 -1.34 0.00 0.00 175.22 172.75 1de1 s ASP 44 N -3.36 6.27 0.34 1.98 -1.08 0.28 -4.86 116.67 116.25 1de1 s ASP 44 Ca 0.64 -0.88 0.26 0.00 -0.52 0.00 0.00 52.55 52.06 1de1 s ASP 44 Cb -0.19 -2.52 1.17 0.00 -1.46 0.00 0.00 42.92 39.92 1de1 s ASP 44 CO 0.58 -1.64 1.79 -2.24 0.52 0.00 0.00 175.17 174.17 1de1 h ASP 45 N 9.81 0.00 0.09 -0.34 3.04 -1.92 -2.95 116.42 124.15 1de1 h ASP 45 Ca -0.15 0.00 -0.00 0.00 -3.24 0.00 0.00 57.03 53.64 1de1 h ASP 45 Cb 1.04 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.33 1de1 h ASP 45 CO 1.28 0.00 -0.04 -0.33 -2.04 0.00 0.00 179.24 178.11 1de1 h GLU 46 N 0.00 -0.11 -0.23 4.15 4.39 -1.94 0.85 114.58 121.69 1de1 h GLU 46 Ca 0.00 0.01 -0.17 0.00 0.34 0.00 0.00 59.36 59.54 1de1 h GLU 46 Cb 0.30 0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.97 1de1 h GLU 46 CO 0.00 0.08 -0.54 0.87 -1.16 0.00 0.00 179.01 178.27 1de1 h LYS 47 N -0.30 0.69 -0.28 2.33 6.56 -1.91 -2.90 116.57 120.76 1de1 h LYS 47 Ca -0.01 -0.43 -0.10 0.00 -1.06 0.00 0.00 60.65 59.05 1de1 h LYS 47 Cb 0.25 0.05 -0.01 0.00 -0.57 0.00 0.00 32.23 31.94 1de1 h LYS 47 CO 0.02 1.05 -0.26 0.82 -2.06 0.00 0.00 179.45 179.02 1de1 h ILE 48 N 0.53 1.27 -0.31 1.86 5.03 -1.43 -2.74 117.51 121.71 1de1 h ILE 48 Ca 0.01 -1.31 0.01 0.00 -0.12 0.00 0.00 64.86 63.46 1de1 h ILE 48 Cb 1.10 1.33 -0.02 0.00 -3.03 0.00 0.00 36.82 36.21 1de1 h ILE 48 CO 0.11 0.42 0.19 0.00 -0.68 0.00 0.00 178.15 178.19 1de1 h ALA 49 N 1.24 0.39 -0.87 1.87 0.00 0.89 -2.04 119.26 120.74 1de1 h ALA 49 Ca 0.07 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1de1 h ALA 49 Cb 0.70 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 1de1 h ALA 49 CO 0.05 -0.18 0.53 1.49 0.00 0.00 0.00 179.25 181.14 1de1 h GLU 50 N 0.38 1.18 -0.04 0.00 4.81 -1.38 -2.66 114.58 116.88 1de1 h GLU 50 Ca 0.12 -0.10 0.02 0.00 -0.13 0.00 0.00 59.36 59.27 1de1 h GLU 50 Cb -0.01 -0.25 -0.03 0.00 0.63 0.00 0.00 28.75 29.09 1de1 h GLU 50 CO -0.05 0.82 -0.11 1.25 -0.73 0.00 0.00 179.01 180.20 1de1 h LEU 51 N 1.20 -0.32 -0.69 1.64 5.85 -1.11 -1.32 115.31 120.56 1de1 h LEU 51 Ca 0.31 0.05 0.14 0.00 0.84 0.00 0.00 57.88 59.22 1de1 h LEU 51 Cb -0.05 0.14 -0.10 0.00 0.37 0.00 0.00 40.66 41.02 1de1 h LEU 51 CO -0.06 -0.15 0.20 -0.07 -0.34 0.00 0.00 178.44 178.02 1de1 h LEU 52 N -0.16 0.09 -0.71 2.25 3.38 -1.05 0.15 115.31 119.26 1de1 h LEU 52 Ca 0.05 0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 1de1 h LEU 52 Cb 0.24 0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 1de1 h LEU 52 CO -0.14 0.02 0.39 0.74 0.09 0.00 0.00 178.44 179.54 1de1 h THR 53 N 0.32 1.22 -0.83 0.22 2.02 -1.19 -2.33 112.91 112.33 1de1 h THR 53 Ca 0.38 -0.54 -0.00 0.00 0.77 0.00 0.00 66.41 67.01 1de1 h THR 53 Cb 0.60 0.29 -0.04 0.00 -1.74 0.00 0.00 68.15 67.25 1de1 h THR 53 CO -0.44 0.24 0.51 0.11 0.37 0.00 0.00 175.52 176.31 1de1 h LYS 54 N 0.97 1.12 0.91 6.66 6.56 0.11 -3.04 116.57 129.87 1de1 h LYS 54 Ca 0.25 -0.09 -0.04 0.00 -1.06 0.00 0.00 60.65 59.70 1de1 h LYS 54 Cb 0.04 -0.24 0.01 0.00 -0.57 0.00 0.00 32.23 31.46 1de1 h LYS 54 CO -0.04 0.77 -0.44 -0.07 -2.06 0.00 0.00 179.45 177.61 1de1 h LEU 55 N 1.14 -1.05 0.00 2.94 3.38 -0.65 -3.46 115.31 117.61 1de1 h LEU 55 Ca 0.30 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.31 1de1 h LEU 55 Cb -0.07 0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1de1 h LEU 55 CO -0.06 -0.75 0.00 0.61 0.09 0.00 0.00 178.44 178.33 1de1 n GLY 56 N -1.62 0.56 0.00 0.83 0.00 -1.00 -5.08 105.19 98.87 1de1 n GLY 56 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1de1 n GLY 56 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1de1 n ARG 57 N 0.00 0.75 -0.41 1.61 1.74 -1.20 -4.98 116.66 114.16 1de1 n ARG 57 Ca 0.00 0.00 0.06 0.00 -0.77 0.00 0.00 57.85 57.14 1de1 n ARG 57 Cb 0.00 0.00 0.20 0.00 -1.02 0.00 0.00 32.46 31.64 1de1 n ARG 57 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1de1 n ASP 58 N -0.55 2.81 -4.32 0.55 5.68 -1.26 -3.59 116.55 115.87 1de1 n ASP 58 Ca 0.00 -3.31 -0.30 0.00 -0.50 0.00 0.00 54.79 50.68 1de1 n ASP 58 Cb 0.00 -0.52 -0.15 0.00 -1.14 0.00 0.00 41.12 39.31 1de1 n ASP 58 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 1de1 s THR 59 N -2.99 2.02 -0.59 2.12 -1.32 -1.26 -5.05 115.64 108.58 1de1 s THR 59 Ca 0.39 -1.27 -0.18 0.00 -1.21 0.00 0.00 61.69 59.42 1de1 s THR 59 Cb 0.34 -1.72 0.12 0.00 -1.51 0.00 0.00 72.50 69.73 1de1 s THR 59 CO 0.03 0.40 0.64 -1.10 -2.21 0.00 0.00 174.62 172.38 1de1 s GLN 60 N -1.04 3.05 -1.14 7.08 -0.21 -1.26 -4.98 119.66 121.16 1de1 s GLN 60 Ca 0.11 -1.50 -0.21 0.00 0.02 0.00 0.00 55.36 53.77 1de1 s GLN 60 Cb -0.10 -4.29 -0.07 0.00 1.00 0.00 0.00 33.01 29.55 1de1 s GLN 60 CO 0.01 -1.46 1.91 -0.89 -2.12 0.00 0.00 175.29 172.74 1de1 n ILE 61 N 5.39 2.35 -2.12 1.08 -0.00 -1.26 -4.38 119.36 120.42 1de1 n ILE 61 Ca -0.10 -2.35 -0.00 0.00 -0.00 0.00 0.00 62.75 60.30 1de1 n ILE 61 Cb 0.42 -2.25 -0.00 0.00 -0.00 0.00 0.00 39.64 37.80 1de1 n ILE 61 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1de1 n GLY 62 N 5.38 -0.40 3.69 7.39 0.00 -1.26 -4.83 105.19 115.16 1de1 n GLY 62 Ca 0.47 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.19 1de1 n GLY 62 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1de1 s LEU 63 N -4.03 2.54 0.24 0.99 2.01 -1.26 -5.05 118.68 114.12 1de1 s LEU 63 Ca 0.00 1.83 0.08 0.00 0.01 0.00 0.00 54.13 56.05 1de1 s LEU 63 Cb -0.00 -4.27 -0.04 0.00 0.01 0.00 0.00 46.19 41.89 1de1 s LEU 63 CO 0.00 -2.78 0.09 -0.89 1.01 0.00 0.00 176.35 173.78 1de1 s THR 64 N -2.78 3.98 0.22 5.49 2.01 -1.26 -5.14 115.64 118.16 1de1 s THR 64 Ca 0.64 -1.56 0.10 0.00 0.31 0.00 0.00 61.69 61.19 1de1 s THR 64 Cb -0.20 -3.11 -0.04 0.00 0.01 0.00 0.00 72.50 69.16 1de1 s THR 64 CO 0.58 -0.29 -0.12 -0.04 -0.69 0.00 0.00 174.62 174.05 1de1 s MET 65 N -3.56 1.94 0.36 4.92 -1.94 -1.26 -4.19 119.30 115.58 1de1 s MET 65 Ca 0.31 -1.46 -0.22 0.00 -1.71 0.00 0.00 55.69 52.61 1de1 s MET 65 Cb -0.08 -2.02 -0.10 0.00 2.01 0.00 0.00 34.83 34.64 1de1 s MET 65 CO 0.22 0.39 0.91 -2.14 -0.01 0.00 0.00 175.02 174.39 1de1 s PRO 66 N -3.15 4.36 -0.06 2.03 0.02 -1.26 -4.92 135.00 132.02 1de1 s PRO 66 Ca 0.27 1.15 -0.15 0.00 0.02 0.00 0.00 61.00 62.28 1de1 s PRO 66 Cb -0.07 -2.51 -0.05 0.00 0.02 0.00 0.00 34.50 31.89 1de1 s PRO 66 CO 0.15 0.15 0.40 -1.14 -0.33 0.00 0.00 177.00 176.23 1de1 s GLN 67 N -2.61 4.08 0.25 5.54 2.00 0.10 -4.35 119.66 124.67 1de1 s GLN 67 Ca 0.55 0.36 0.10 0.00 -2.00 0.00 0.00 55.36 54.36 1de1 s GLN 67 Cb -0.14 -3.31 -0.04 0.00 0.80 0.00 0.00 33.01 30.32 1de1 s GLN 67 CO 0.18 0.47 -0.03 0.08 -0.50 0.00 0.00 175.29 175.50 1de1 s VAL 68 N -0.36 3.37 -0.00 1.34 1.01 -0.53 0.17 120.40 125.40 1de1 s VAL 68 Ca 0.23 -1.89 -0.04 0.00 0.00 0.00 0.00 61.98 60.28 1de1 s VAL 68 Cb -0.16 -2.78 -0.00 0.00 0.00 0.00 0.00 36.38 33.44 1de1 s VAL 68 CO 0.11 -0.33 0.07 -0.36 0.00 0.00 0.00 175.10 174.58 1de1 s PHE 69 N -2.23 0.08 0.87 5.22 0.40 0.23 -2.81 117.98 119.73 1de1 s PHE 69 Ca 0.30 -0.16 -0.13 0.00 -0.60 0.00 0.00 56.93 56.35 1de1 s PHE 69 Cb -0.07 -0.07 0.07 0.00 0.51 0.00 0.00 43.02 43.46 1de1 s PHE 69 CO 0.19 -0.18 0.82 0.00 0.70 0.00 0.00 175.22 176.75 1de1 n ALA 70 N 1.97 -1.31 0.29 5.36 0.00 0.26 -1.09 120.51 125.98 1de1 n ALA 70 Ca -0.20 -0.47 0.14 0.00 0.00 0.00 0.00 53.44 52.91 1de1 n ALA 70 Cb 0.56 -2.03 0.85 0.00 0.00 0.00 0.00 19.45 18.84 1de1 n ALA 70 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1de1 h PRO 71 N -1.29 0.00 0.00 0.00 0.11 -1.91 -2.17 132.00 126.74 1de1 h PRO 71 Ca -0.44 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.64 1de1 h PRO 71 Cb 1.29 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.40 1de1 h PRO 71 CO 0.40 0.02 -1.85 -0.25 -0.21 0.00 0.00 178.00 176.12 1de1 n ASP 72 N -3.93 0.16 0.00 -2.05 8.00 -1.26 -3.67 116.55 113.80 1de1 n ASP 72 Ca -0.03 0.06 0.00 0.00 0.71 0.00 0.00 54.79 55.53 1de1 n ASP 72 Cb 0.11 1.65 0.00 0.00 -0.02 0.00 0.00 41.12 42.86 1de1 n ASP 72 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1de1 n GLY 73 N 1.28 1.62 3.61 0.44 0.00 -0.81 -5.14 105.19 106.18 1de1 n GLY 73 Ca -0.05 -0.63 -0.09 0.00 0.00 0.00 0.00 46.02 45.25 1de1 n GLY 73 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1de1 s SER 74 N 0.00 -0.38 -0.32 1.61 0.01 -1.26 -4.84 113.70 108.52 1de1 s SER 74 Ca 0.00 0.55 -0.29 0.00 1.31 0.00 0.00 55.95 57.52 1de1 s SER 74 Cb 0.00 0.50 0.01 0.00 0.21 0.00 0.00 66.02 66.74 1de1 s SER 74 CO 0.00 -0.25 1.17 -2.28 0.41 0.00 0.00 173.24 172.29 1de1 s HIS 75 N -0.55 2.95 -0.24 2.43 2.46 -1.26 0.91 115.29 121.98 1de1 s HIS 75 Ca 0.01 1.03 -0.07 0.00 0.47 0.00 0.00 55.06 56.50 1de1 s HIS 75 Cb -0.02 -3.83 -0.12 0.00 -0.13 0.00 0.00 32.58 28.47 1de1 s HIS 75 CO -0.02 -1.17 -0.28 -0.89 -2.47 0.00 0.00 174.74 169.91 1de1 n ILE 76 N 6.07 1.35 0.00 0.89 -0.00 -1.12 -4.92 119.36 121.63 1de1 n ILE 76 Ca 0.13 -0.41 0.00 0.00 -0.00 0.00 0.00 62.75 62.47 1de1 n ILE 76 Cb 0.47 -1.64 0.00 0.00 -0.00 0.00 0.00 39.64 38.48 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 1.81 0.74 0.00 7.39 0.00 -1.22 -4.34 105.19 109.57 1de1 n GLY 77 Ca -0.46 -2.09 0.00 0.00 0.00 0.00 0.00 46.02 43.47 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 0.60 0.01 -0.02 0.00 -1.26 -1.46 105.19 103.07 1de1 n GLY 78 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 1de1 n GLY 78 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1de1 h PHE 79 N 0.00 0.00 -0.58 1.61 3.04 -1.94 -2.54 116.94 116.53 1de1 h PHE 79 Ca 0.00 0.00 0.12 0.00 3.98 0.00 0.00 57.97 62.07 1de1 h PHE 79 Cb 0.00 0.00 -0.09 0.00 2.56 0.00 0.00 35.95 38.42 1de1 h PHE 79 CO 0.00 0.00 0.03 0.22 -2.02 0.00 0.00 178.31 176.54 1de1 h ASP 80 N -0.23 -0.20 -0.25 0.41 3.58 -1.98 0.87 116.42 118.61 1de1 h ASP 80 Ca 0.00 0.14 0.00 0.00 0.42 0.00 0.00 57.03 57.59 1de1 h ASP 80 Cb 0.04 0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.31 1de1 h ASP 80 CO 0.00 -0.08 0.16 1.56 -2.88 0.00 0.00 179.24 178.00 1de1 h GLN 81 N 0.14 0.34 -0.48 0.28 4.20 -1.87 -2.73 115.11 114.99 1de1 h GLN 81 Ca 0.30 -0.03 -0.09 0.00 0.06 0.00 0.00 58.65 58.90 1de1 h GLN 81 Cb 0.47 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.16 1de1 h GLN 81 CO -0.47 0.25 -0.04 1.25 -0.67 0.00 0.00 178.83 179.15 1de1 h LEU 82 N 0.33 0.87 -1.86 1.46 6.46 -0.75 -2.37 115.31 119.44 1de1 h LEU 82 Ca 0.09 -0.33 0.23 0.00 -0.12 0.00 0.00 57.88 57.76 1de1 h LEU 82 Cb -0.01 -0.24 -0.04 0.00 -0.73 0.00 0.00 40.66 39.64 1de1 h LEU 82 CO -0.02 0.99 0.60 -0.09 -0.62 0.00 0.00 178.44 179.30 1de1 h ARG 83 N 0.74 0.11 -0.08 1.25 2.43 0.90 1.41 114.38 121.14 1de1 h ARG 83 Ca 0.13 -0.01 -0.14 0.00 -0.81 0.00 0.00 59.98 59.16 1de1 h ARG 83 Cb 0.56 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.08 1de1 h ARG 83 CO 0.03 0.07 -0.56 1.49 -1.51 0.00 0.00 179.97 179.50 1de1 h GLU 84 N 0.11 0.25 0.00 0.20 4.57 -1.12 1.52 114.58 120.10 1de1 h GLU 84 Ca 0.42 -0.16 -0.10 0.00 -1.18 0.00 0.00 59.36 58.34 1de1 h GLU 84 Cb 1.49 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 30.08 1de1 h GLU 84 CO -0.05 0.74 -0.47 -0.92 -1.18 0.00 0.00 179.01 177.12 1de1 h TYR 85 N 0.19 0.00 0.00 0.92 5.03 0.20 -3.38 116.97 119.93 1de1 h TYR 85 Ca 0.00 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 1de1 h TYR 85 Cb 1.04 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.32 1de1 h TYR 85 CO 0.02 0.47 0.00 1.19 -1.32 0.00 0.00 178.16 178.52 1de1 n PHE 86 N -3.86 0.00 -0.13 -3.82 3.72 -0.12 -5.11 117.46 108.14 1de1 n PHE 86 Ca -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 1de1 n PHE 86 Cb 0.51 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.04 1de1 n PHE 86 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07