#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 3.56 -0.24 1.12 0.40 -1.04 -3.02 117.98 118.75 1de1 s PHE 2 Ca 0.00 1.73 -0.07 0.00 -0.60 0.00 0.00 56.93 57.99 1de1 s PHE 2 Cb 0.00 -3.05 -0.03 0.00 0.51 0.00 0.00 43.02 40.45 1de1 s PHE 2 CO 0.00 -0.17 0.07 0.15 0.70 0.00 0.00 175.22 175.97 1de1 s LYS 3 N -2.04 3.72 -0.05 0.44 3.01 0.19 0.72 119.74 125.73 1de1 s LYS 3 Ca 0.51 -0.45 0.02 0.00 -1.01 0.00 0.00 55.97 55.04 1de1 s LYS 3 Cb -0.22 -3.31 -0.03 0.00 -1.01 0.00 0.00 37.83 33.26 1de1 s LYS 3 CO 0.28 -0.10 -0.09 0.08 0.51 0.00 0.00 175.35 176.03 1de1 s VAL 4 N 1.38 3.50 -0.35 3.17 1.01 -0.63 0.16 120.40 128.65 1de1 s VAL 4 Ca 0.05 -0.62 0.04 0.00 0.00 0.00 0.00 61.98 61.45 1de1 s VAL 4 Cb -0.15 -2.43 0.10 0.00 0.00 0.00 0.00 36.38 33.90 1de1 s VAL 4 CO 0.04 0.55 0.06 -0.31 0.00 0.00 0.00 175.10 175.44 1de1 s TYR 5 N -0.83 3.74 0.00 5.22 1.51 0.49 0.97 117.35 128.46 1de1 s TYR 5 Ca 0.13 -3.01 0.00 0.00 -1.01 0.00 0.00 57.07 53.18 1de1 s TYR 5 Cb -0.11 -2.93 0.00 0.00 -0.11 0.00 0.00 41.96 38.81 1de1 s TYR 5 CO 0.02 -0.94 0.00 0.41 -1.11 0.00 0.00 175.55 173.93 1de1 n GLY 6 N 4.21 3.94 3.35 0.71 0.00 -0.70 0.31 105.19 117.02 1de1 n GLY 6 Ca 0.04 -0.24 -0.19 0.00 0.00 0.00 0.00 46.02 45.63 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 0.20 1.75 -0.00 1.61 2.02 -1.26 -2.62 117.35 119.05 1de1 s TYR 7 Ca 0.00 -0.55 -0.05 0.00 -0.37 0.00 0.00 57.07 56.10 1de1 s TYR 7 Cb 0.00 -0.81 -0.03 0.00 -0.40 0.00 0.00 41.96 40.72 1de1 s TYR 7 CO 0.00 0.39 0.58 0.22 -1.57 0.00 0.00 175.55 175.17 1de1 h ASP 8 N 2.55 -0.15 0.00 2.29 1.82 -1.91 -3.47 116.42 117.55 1de1 h ASP 8 Ca -0.38 0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.26 1de1 h ASP 8 Cb 1.22 0.04 0.00 0.00 0.68 0.00 0.00 39.33 41.27 1de1 h ASP 8 CO 0.62 -0.04 0.00 -1.20 -1.61 0.00 0.00 179.24 177.00 1de1 n SER 9 N -2.84 0.00 0.12 2.28 7.64 -1.23 -4.82 113.62 114.77 1de1 n SER 9 Ca -0.02 0.00 0.12 0.00 1.01 0.00 0.00 58.87 59.98 1de1 n SER 9 Cb 0.07 0.00 0.15 0.00 -1.01 0.00 0.00 64.21 63.42 1de1 n SER 9 CO 0.00 0.00 0.00 -1.13 -3.01 0.00 0.00 175.04 170.90 1de1 h ASN 10 N 0.00 0.00 0.11 6.43 -0.73 -1.96 -3.34 115.58 116.08 1de1 h ASN 10 Ca 0.00 -0.06 -0.33 0.00 1.87 0.00 0.00 56.30 57.79 1de1 h ASN 10 Cb 0.00 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 38.57 1de1 h ASN 10 CO 0.00 0.03 -1.75 0.40 -0.37 0.00 0.00 177.43 175.74 1de1 h ILE 11 N 0.00 0.77 -3.54 2.57 5.03 -1.96 -3.49 117.51 116.90 1de1 h ILE 11 Ca 0.00 -2.33 -0.08 0.00 -0.12 0.00 0.00 64.86 62.33 1de1 h ILE 11 Cb 0.90 2.51 -0.15 0.00 -3.03 0.00 0.00 36.82 37.04 1de1 h ILE 11 CO 0.00 0.75 -0.26 -2.28 -0.68 0.00 0.00 178.15 175.68 1de1 s HIS 12 N -2.51 -0.02 0.47 1.37 2.46 -1.25 -4.91 115.29 110.89 1de1 s HIS 12 Ca -0.23 -0.28 -0.21 0.00 0.47 0.00 0.00 55.06 54.81 1de1 s HIS 12 Cb 0.06 0.07 -0.11 0.00 -0.13 0.00 0.00 32.58 32.47 1de1 s HIS 12 CO 0.74 -0.56 0.63 1.17 -2.47 0.00 0.00 174.74 174.25 1de1 n LYS 13 N 0.13 0.69 -2.67 2.88 3.00 -1.26 -3.58 118.16 117.36 1de1 n LYS 13 Ca -0.17 0.26 -0.04 0.00 -0.00 0.00 0.00 58.31 58.36 1de1 n LYS 13 Cb 0.62 -1.67 0.09 0.00 0.00 0.00 0.00 35.03 34.07 1de1 n LYS 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1de1 n VAL 15 N 1.06 1.58 0.76 0.00 0.24 -1.26 -4.19 118.33 116.52 1de1 n VAL 15 Ca -0.01 -0.16 0.12 0.00 -2.04 0.00 0.00 64.34 62.25 1de1 n VAL 15 Cb 0.72 -1.97 0.50 0.00 -1.47 0.00 0.00 33.84 31.62 1de1 n VAL 15 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1de1 n TYR 16 N -4.24 0.26 -0.02 6.34 4.11 -1.26 -3.38 117.16 118.96 1de1 n TYR 16 Ca -0.33 0.08 -0.16 0.00 -0.00 0.00 0.00 57.90 57.49 1de1 n TYR 16 Cb 0.76 -0.63 -0.10 0.00 -0.00 0.00 0.00 39.34 39.37 1de1 n TYR 16 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1de1 h ASP 18 N -0.09 0.00 -0.07 0.00 3.58 -1.72 0.85 116.42 118.96 1de1 h ASP 18 Ca -0.03 0.00 -0.09 0.00 0.42 0.00 0.00 57.03 57.32 1de1 h ASP 18 Cb 1.08 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.14 1de1 h ASP 18 CO 0.08 0.00 -0.32 0.78 -2.88 0.00 0.00 179.24 176.90 1de1 h ASN 19 N 0.00 0.40 0.05 2.28 2.35 -1.63 -2.46 115.58 116.58 1de1 h ASN 19 Ca 0.11 -0.65 -0.01 0.00 -0.55 0.00 0.00 56.30 55.20 1de1 h ASN 19 Cb 0.68 -0.12 -0.00 0.00 0.05 0.00 0.00 38.32 38.93 1de1 h ASN 19 CO -0.00 0.99 -0.04 0.00 -1.65 0.00 0.00 177.43 176.72 1de1 h ALA 20 N 0.43 1.90 0.37 -0.83 0.00 -0.64 -0.92 119.26 119.57 1de1 h ALA 20 Ca -0.02 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1de1 h ALA 20 Cb 0.97 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1de1 h ALA 20 CO 0.07 0.06 -0.18 0.87 0.00 0.00 0.00 179.25 180.06 1de1 h LYS 21 N 0.00 -0.48 -0.59 0.00 1.57 -1.25 -2.91 116.57 112.91 1de1 h LYS 21 Ca -0.00 0.03 0.17 0.00 -1.87 0.00 0.00 60.65 58.98 1de1 h LYS 21 Cb 0.08 0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 1de1 h LYS 21 CO 0.01 -0.32 0.42 0.07 -0.57 0.00 0.00 179.45 179.06 1de1 h ARG 22 N -0.89 0.03 0.30 3.15 -0.00 -1.34 -1.00 114.38 114.63 1de1 h ARG 22 Ca -0.05 -0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 59.92 1de1 h ARG 22 Cb 0.38 -0.01 -0.01 0.00 -0.00 0.00 0.00 29.97 30.34 1de1 h ARG 22 CO 0.08 0.02 -0.23 1.25 -0.00 0.00 0.00 179.97 181.10 1de1 h LEU 23 N 0.03 -0.58 -0.61 0.08 6.46 -1.17 -1.31 115.31 118.20 1de1 h LEU 23 Ca 0.28 0.04 0.09 0.00 -0.12 0.00 0.00 57.88 58.17 1de1 h LEU 23 Cb 1.08 0.19 -0.07 0.00 -0.73 0.00 0.00 40.66 41.13 1de1 h LEU 23 CO -0.01 -0.35 0.25 -0.07 -0.62 0.00 0.00 178.44 177.64 1de1 h LEU 24 N -0.53 0.29 -1.38 2.25 3.38 -0.98 0.71 115.31 119.05 1de1 h LEU 24 Ca -0.02 0.07 0.13 0.00 0.09 0.00 0.00 57.88 58.15 1de1 h LEU 24 Cb 0.46 0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.18 1de1 h LEU 24 CO -0.00 0.17 0.54 0.74 0.09 0.00 0.00 178.44 179.98 1de1 h THR 25 N 0.45 0.86 0.05 0.22 2.02 -1.08 0.16 112.91 115.60 1de1 h THR 25 Ca 0.30 -0.22 -0.24 0.00 0.77 0.00 0.00 66.41 67.03 1de1 h THR 25 Cb 0.34 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 66.91 1de1 h THR 25 CO -0.28 0.12 -1.09 0.58 0.37 0.00 0.00 175.52 175.22 1de1 h VAL 26 N 0.64 1.61 0.00 3.16 2.07 0.41 -3.14 116.25 121.00 1de1 h VAL 26 Ca 0.40 -3.21 0.00 0.00 0.82 0.00 0.00 66.70 64.71 1de1 h VAL 26 Cb 0.66 2.86 0.00 0.00 -1.52 0.00 0.00 31.29 33.29 1de1 h VAL 26 CO -0.16 0.93 0.00 0.29 0.02 0.00 0.00 177.57 178.64 1de1 n LYS 27 N -3.45 0.09 -2.46 1.57 4.01 0.22 -4.90 118.16 113.24 1de1 n LYS 27 Ca -0.04 0.25 -0.04 0.00 -0.51 0.00 0.00 58.31 57.97 1de1 n LYS 27 Cb 0.96 -1.65 0.02 0.00 -0.51 0.00 0.00 35.03 33.85 1de1 n LYS 27 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46 1de1 n LYS 28 N -1.81 -1.31 -3.78 1.97 3.00 0.30 -5.04 118.16 111.49 1de1 n LYS 28 Ca 0.04 0.15 -0.13 0.00 -0.00 0.00 0.00 58.31 58.37 1de1 n LYS 28 Cb 0.25 -3.11 -0.14 0.00 0.00 0.00 0.00 35.03 32.04 1de1 n LYS 28 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 1de1 s GLN 29 N -4.69 0.14 0.71 1.64 -0.21 -0.78 -5.04 119.66 111.42 1de1 s GLN 29 Ca 0.05 0.32 -0.10 0.00 0.02 0.00 0.00 55.36 55.65 1de1 s GLN 29 Cb -0.02 -0.07 0.03 0.00 1.00 0.00 0.00 33.01 33.95 1de1 s GLN 29 CO 0.13 -0.11 1.07 -1.25 -2.12 0.00 0.00 175.29 173.02 1de1 s PRO 30 N 0.74 2.62 0.26 2.91 0.04 -1.26 -4.10 135.00 136.22 1de1 s PRO 30 Ca -0.05 0.25 -0.21 0.00 0.04 0.00 0.00 61.00 61.02 1de1 s PRO 30 Cb -0.07 -2.06 0.03 0.00 0.04 0.00 0.00 34.50 32.44 1de1 s PRO 30 CO -0.04 -1.11 0.78 -0.59 0.04 0.00 0.00 177.00 176.08 1de1 s PHE 31 N -3.33 -0.14 -0.01 0.56 -0.71 -1.26 -2.51 117.98 110.57 1de1 s PHE 31 Ca 0.58 -0.31 0.01 0.00 -1.04 0.00 0.00 56.93 56.17 1de1 s PHE 31 Cb -0.11 0.71 0.01 0.00 -1.21 0.00 0.00 43.02 42.42 1de1 s PHE 31 CO 0.49 -1.19 -0.03 -1.83 -1.34 0.00 0.00 175.22 171.33 1de1 s GLU 32 N -3.59 0.39 0.46 1.99 -1.05 0.22 -4.78 118.70 112.34 1de1 s GLU 32 Ca 0.12 -0.10 -0.04 0.00 -0.15 0.00 0.00 54.97 54.81 1de1 s GLU 32 Cb -0.05 -0.42 -0.03 0.00 -0.44 0.00 0.00 34.13 33.19 1de1 s GLU 32 CO 0.06 0.02 0.73 0.12 0.95 0.00 0.00 175.26 177.15 1de1 s PHE 33 N 0.26 3.50 -0.10 4.83 5.36 -1.26 -1.60 117.98 128.96 1de1 s PHE 33 Ca -0.02 0.65 -0.04 0.00 -0.96 0.00 0.00 56.93 56.56 1de1 s PHE 33 Cb -0.06 -2.25 0.05 0.00 -0.34 0.00 0.00 43.02 40.43 1de1 s PHE 33 CO -0.00 -0.24 0.19 0.42 -1.46 0.00 0.00 175.22 174.13 1de1 s ILE 34 N -2.66 -0.31 -0.20 3.12 1.01 0.27 -4.78 121.20 117.66 1de1 s ILE 34 Ca 0.46 0.31 -0.26 0.00 0.00 0.00 0.00 60.65 61.16 1de1 s ILE 34 Cb -0.10 -0.36 -0.01 0.00 0.01 0.00 0.00 42.46 42.00 1de1 s ILE 34 CO 0.42 0.12 0.90 0.21 0.00 0.00 0.00 174.94 176.59 1de1 s ASN 35 N 2.33 6.98 0.01 3.58 3.84 -1.26 -1.72 114.94 128.71 1de1 s ASN 35 Ca 0.03 1.22 0.22 0.00 0.21 0.00 0.00 52.86 54.54 1de1 s ASN 35 Cb -0.12 -2.48 -0.28 0.00 -0.55 0.00 0.00 41.25 37.82 1de1 s ASN 35 CO -0.07 -0.50 0.59 2.30 -2.79 0.00 0.00 177.10 176.62 1de1 n ILE 36 N 5.01 0.13 -3.80 -5.21 -5.35 -1.08 -4.68 119.36 104.38 1de1 n ILE 36 Ca 0.07 -0.51 -0.28 0.00 -0.27 0.00 0.00 62.75 61.75 1de1 n ILE 36 Cb 0.48 -0.07 -0.12 0.00 -1.74 0.00 0.00 39.64 38.19 1de1 n ILE 36 CO 0.00 0.00 0.00 -0.32 -1.76 0.00 0.00 176.55 174.47 1de1 s MET 37 N -3.48 1.95 0.22 6.28 0.00 -1.26 0.11 119.30 123.12 1de1 s MET 37 Ca -0.07 -2.83 0.22 0.00 0.00 0.00 0.00 55.69 53.02 1de1 s MET 37 Cb 0.13 -2.91 0.92 0.00 0.00 0.00 0.00 34.83 32.97 1de1 s MET 37 CO 0.89 -1.26 1.68 -0.35 0.00 0.00 0.00 175.02 175.98 1de1 n PRO 38 N 2.54 0.17 -3.94 4.11 -0.04 -1.26 -4.71 135.00 131.86 1de1 n PRO 38 Ca 0.17 0.39 -0.11 0.00 -0.04 0.00 0.00 63.50 63.92 1de1 n PRO 38 Cb 0.36 -1.81 -0.12 0.00 -0.04 0.00 0.00 33.50 31.89 1de1 n PRO 38 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1de1 s GLU 39 N -3.26 0.18 0.00 0.54 2.12 -1.26 -5.01 118.70 112.00 1de1 s GLU 39 Ca 0.05 -0.33 0.15 0.00 0.36 0.00 0.00 54.97 55.19 1de1 s GLU 39 Cb 0.09 0.04 0.68 0.00 0.26 0.00 0.00 34.13 35.20 1de1 s GLU 39 CO 0.38 -0.02 1.44 0.36 -0.54 0.00 0.00 175.26 176.87 1de1 n LYS 40 N 2.29 0.10 -0.06 4.30 2.85 -1.26 -3.27 118.16 123.12 1de1 n LYS 40 Ca -0.18 0.20 -0.03 0.00 -1.05 0.00 0.00 58.31 57.25 1de1 n LYS 40 Cb 0.57 -1.50 -0.02 0.00 -0.65 0.00 0.00 35.03 33.43 1de1 n LYS 40 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 177.40 178.13 1de1 h GLY 41 N 2.46 0.00 -5.23 2.58 0.00 -1.97 -3.48 103.07 97.43 1de1 h GLY 41 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.19 1de1 h GLY 41 CO 0.00 0.00 -0.31 0.14 0.00 0.00 0.00 176.54 176.37 1de1 s VAL 42 N -1.72 0.00 0.93 4.60 1.01 -1.20 -5.16 120.40 118.85 1de1 s VAL 42 Ca -0.05 -0.03 -0.10 0.00 0.00 0.00 0.00 61.98 61.80 1de1 s VAL 42 Cb -0.00 -0.49 0.15 0.00 0.00 0.00 0.00 36.38 36.04 1de1 s VAL 42 CO 0.12 -0.02 1.15 -0.36 0.00 0.00 0.00 175.10 175.99 1de1 s PHE 43 N 0.07 1.56 0.13 5.22 0.40 -1.26 -4.21 117.98 119.90 1de1 s PHE 43 Ca -0.01 1.80 -0.30 0.00 -0.60 0.00 0.00 56.93 57.81 1de1 s PHE 43 Cb -0.03 -3.35 -0.07 0.00 0.51 0.00 0.00 43.02 40.08 1de1 s PHE 43 CO 0.01 -2.88 1.26 0.34 0.70 0.00 0.00 175.22 174.65 1de1 s ASP 44 N -2.64 6.99 0.33 1.36 -1.08 0.30 -4.91 116.67 117.03 1de1 s ASP 44 Ca 0.67 2.22 0.15 0.00 -0.52 0.00 0.00 52.55 55.06 1de1 s ASP 44 Cb -0.23 -2.59 0.56 0.00 -1.46 0.00 0.00 42.92 39.19 1de1 s ASP 44 CO 0.58 -0.49 1.70 -0.78 0.52 0.00 0.00 175.17 176.69 1de1 h ASP 45 N 6.11 0.00 0.43 -0.34 1.82 -1.91 -1.56 116.42 120.97 1de1 h ASP 45 Ca -0.43 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.19 1de1 h ASP 45 Cb 1.21 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.23 1de1 h ASP 45 CO 0.80 0.48 -0.21 -0.08 -1.61 0.00 0.00 179.24 178.62 1de1 h GLU 46 N 0.00 -0.55 -0.26 0.28 4.81 -1.96 -0.31 114.58 116.59 1de1 h GLU 46 Ca -0.00 0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.23 1de1 h GLU 46 Cb 0.94 0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.44 1de1 h GLU 46 CO 0.06 -0.25 0.04 0.87 -0.73 0.00 0.00 179.01 179.00 1de1 h LYS 47 N -0.92 0.43 -0.86 1.92 6.56 -1.88 0.17 116.57 121.99 1de1 h LYS 47 Ca -0.06 -0.12 0.05 0.00 -1.06 0.00 0.00 60.65 59.46 1de1 h LYS 47 Cb 0.57 -0.05 -0.05 0.00 -0.57 0.00 0.00 32.23 32.12 1de1 h LYS 47 CO 0.10 0.56 0.56 0.82 -2.06 0.00 0.00 179.45 179.43 1de1 h ILE 48 N 0.24 1.10 0.29 1.86 5.03 -1.36 0.53 117.51 125.20 1de1 h ILE 48 Ca 0.08 -0.35 -0.01 0.00 -0.12 0.00 0.00 64.86 64.46 1de1 h ILE 48 Cb 0.34 -0.00 0.00 0.00 -3.03 0.00 0.00 36.82 34.13 1de1 h ILE 48 CO 0.01 0.18 -0.14 0.00 -0.68 0.00 0.00 178.15 177.52 1de1 h ALA 49 N 1.52 -0.38 -0.13 1.87 0.00 -0.80 -2.89 119.26 118.44 1de1 h ALA 49 Ca 0.35 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1de1 h ALA 49 Cb 0.12 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1de1 h ALA 49 CO -0.12 -0.43 0.08 1.05 0.00 0.00 0.00 179.25 179.83 1de1 h GLU 50 N -0.96 0.17 0.20 0.00 4.11 -0.81 -2.41 114.58 114.89 1de1 h GLU 50 Ca -0.04 -0.01 -0.01 0.00 0.07 0.00 0.00 59.36 59.37 1de1 h GLU 50 Cb 0.49 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.70 1de1 h GLU 50 CO 0.06 0.13 -0.11 1.25 0.07 0.00 0.00 179.01 180.41 1de1 h LEU 51 N 0.18 -0.27 -0.67 3.06 5.85 0.05 0.29 115.31 123.81 1de1 h LEU 51 Ca 0.05 0.01 0.13 0.00 0.84 0.00 0.00 57.88 58.91 1de1 h LEU 51 Cb -0.00 0.07 -0.09 0.00 0.37 0.00 0.00 40.66 41.01 1de1 h LEU 51 CO -0.01 -0.18 0.20 -0.07 -0.34 0.00 0.00 178.44 178.03 1de1 h LEU 52 N -0.29 0.11 -1.33 2.25 3.38 -1.22 0.25 115.31 118.46 1de1 h LEU 52 Ca -0.02 0.11 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 1de1 h LEU 52 Cb 0.24 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1de1 h LEU 52 CO 0.03 0.05 -0.23 0.74 0.09 0.00 0.00 178.44 179.12 1de1 h THR 53 N 0.33 1.21 -0.11 0.22 2.02 -1.30 -2.20 112.91 113.09 1de1 h THR 53 Ca 0.36 -0.97 -0.08 0.00 0.77 0.00 0.00 66.41 66.49 1de1 h THR 53 Cb 0.54 1.39 -0.01 0.00 -1.74 0.00 0.00 68.15 68.32 1de1 h THR 53 CO -0.41 0.29 -0.30 0.50 0.37 0.00 0.00 175.52 175.98 1de1 h LYS 54 N 0.15 0.20 -0.51 6.66 3.64 0.16 -2.88 116.57 123.99 1de1 h LYS 54 Ca 0.03 -0.07 -0.06 0.00 -1.27 0.00 0.00 60.65 59.28 1de1 h LYS 54 Cb 0.49 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.27 1de1 h LYS 54 CO 0.03 0.48 0.10 -0.07 -2.27 0.00 0.00 179.45 177.73 1de1 h LEU 55 N 0.18 0.79 0.00 5.20 3.38 -0.59 -3.41 115.31 120.86 1de1 h LEU 55 Ca 0.03 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1de1 h LEU 55 Cb 0.62 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1de1 h LEU 55 CO 0.05 0.84 0.00 0.61 0.09 0.00 0.00 178.44 180.02 1de1 n GLY 56 N -0.57 -1.00 1.16 0.83 0.00 -1.09 -4.83 105.19 99.69 1de1 n GLY 56 Ca 0.01 0.38 -0.01 0.00 0.00 0.00 0.00 46.02 46.40 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 0.00 0.00 1.61 1.74 -1.26 -4.70 116.66 114.05 1de1 n ARG 57 Ca 0.00 -1.38 0.00 0.00 -0.77 0.00 0.00 57.85 55.70 1de1 n ARG 57 Cb 0.00 0.17 0.00 0.00 -1.02 0.00 0.00 32.46 31.61 1de1 n ARG 57 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1de1 n ASP 58 N 0.22 0.00 -4.62 0.55 8.00 -1.26 -5.16 116.55 114.28 1de1 n ASP 58 Ca -0.09 0.00 -0.28 0.00 0.71 0.00 0.00 54.79 55.13 1de1 n ASP 58 Cb 0.89 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 41.88 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 2.49 1.95 -0.78 -3.53 -1.32 -1.26 -4.95 115.64 108.24 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 -2.97 0.04 0.00 -1.51 0.00 0.00 72.50 68.06 1de1 s THR 59 CO 0.00 0.00 1.26 0.00 -2.21 0.00 0.00 174.62 173.67 1de1 s GLN 60 N -3.72 3.25 -1.17 7.08 -2.07 -1.26 -4.94 119.66 116.83 1de1 s GLN 60 Ca 0.34 -0.49 -0.20 0.00 -1.82 0.00 0.00 55.36 53.19 1de1 s GLN 60 Cb 0.10 -4.38 0.06 0.00 -1.09 0.00 0.00 33.01 27.70 1de1 s GLN 60 CO 0.18 -2.11 1.61 0.42 -1.32 0.00 0.00 175.29 174.07 1de1 s ILE 61 N 5.33 4.03 -1.56 3.63 1.01 -1.26 -4.17 121.20 128.21 1de1 s ILE 61 Ca 0.35 -1.40 0.00 0.00 0.00 0.00 0.00 60.65 59.60 1de1 s ILE 61 Cb -0.08 -5.13 0.00 0.00 0.01 0.00 0.00 42.46 37.26 1de1 s ILE 61 CO 0.10 -1.99 0.00 0.61 0.00 0.00 0.00 174.94 173.66 1de1 n GLY 62 N 6.07 0.38 3.71 6.18 0.00 -1.26 -4.90 105.19 115.37 1de1 n GLY 62 Ca 0.42 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.04 1de1 n GLY 62 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1de1 n LEU 63 N -2.56 4.49 -4.52 0.99 7.99 -1.26 -5.02 117.00 117.10 1de1 n LEU 63 Ca -0.18 1.04 -0.25 0.00 -0.01 0.00 0.00 56.01 56.61 1de1 n LEU 63 Cb 0.61 -1.52 -0.11 0.00 -0.11 0.00 0.00 43.42 42.29 1de1 n LEU 63 CO 0.24 -0.72 -0.31 0.42 -1.51 0.00 0.00 177.39 175.52 1de1 s THR 64 N -1.26 1.71 0.20 -5.08 -4.23 -1.26 -5.13 115.64 100.60 1de1 s THR 64 Ca 0.65 -2.05 0.09 0.00 -1.18 0.00 0.00 61.69 59.20 1de1 s THR 64 Cb -0.47 -2.80 -0.04 0.00 1.34 0.00 0.00 72.50 70.53 1de1 s THR 64 CO 0.54 -0.08 -0.05 -0.04 -0.54 0.00 0.00 174.62 174.46 1de1 s MET 65 N -3.76 2.21 0.24 3.99 -1.94 -1.26 -3.96 119.30 114.82 1de1 s MET 65 Ca 0.34 -1.27 -0.29 0.00 -1.71 0.00 0.00 55.69 52.76 1de1 s MET 65 Cb 0.08 -2.21 -0.09 0.00 2.01 0.00 0.00 34.83 34.62 1de1 s MET 65 CO 0.16 0.42 0.92 -2.14 -0.01 0.00 0.00 175.02 174.37 1de1 s PRO 66 N -3.11 4.78 -0.24 2.03 0.02 -1.26 -5.03 135.00 132.20 1de1 s PRO 66 Ca 0.27 1.42 -0.14 0.00 0.02 0.00 0.00 61.00 62.58 1de1 s PRO 66 Cb -0.08 -3.22 -0.04 0.00 0.02 0.00 0.00 34.50 31.18 1de1 s PRO 66 CO 0.17 0.50 0.32 -0.65 -0.33 0.00 0.00 177.00 177.01 1de1 s GLN 67 N -1.29 4.08 0.24 5.54 -0.21 0.15 -4.16 119.66 124.01 1de1 s GLN 67 Ca 0.41 0.01 0.04 0.00 0.02 0.00 0.00 55.36 55.85 1de1 s GLN 67 Cb -0.25 -3.58 -0.03 0.00 1.00 0.00 0.00 33.01 30.15 1de1 s GLN 67 CO 0.30 -0.10 0.37 0.08 -2.12 0.00 0.00 175.29 173.82 1de1 s VAL 68 N 1.53 5.25 0.00 1.09 1.01 0.29 0.18 120.40 129.75 1de1 s VAL 68 Ca 0.14 -0.90 -0.05 0.00 0.00 0.00 0.00 61.98 61.18 1de1 s VAL 68 Cb -0.15 -3.85 -0.00 0.00 0.00 0.00 0.00 36.38 32.38 1de1 s VAL 68 CO 0.08 -0.33 0.09 -0.36 0.00 0.00 0.00 175.10 174.59 1de1 s PHE 69 N -1.99 0.07 0.55 5.22 0.08 0.43 -2.61 117.98 119.74 1de1 s PHE 69 Ca 0.35 -0.17 -0.21 0.00 0.12 0.00 0.00 56.93 57.02 1de1 s PHE 69 Cb -0.09 -0.07 -0.05 0.00 -0.57 0.00 0.00 43.02 42.24 1de1 s PHE 69 CO 0.30 -0.23 1.35 0.00 -0.10 0.00 0.00 175.22 176.54 1de1 s ALA 70 N -1.20 2.78 -0.54 5.36 0.00 0.30 -0.64 121.76 127.83 1de1 s ALA 70 Ca -0.13 1.32 0.19 0.00 0.00 0.00 0.00 51.96 53.34 1de1 s ALA 70 Cb -0.07 -3.57 0.86 0.00 0.00 0.00 0.00 23.12 20.34 1de1 s ALA 70 CO 0.01 -1.39 1.57 -2.30 0.00 0.00 0.00 175.76 173.65 1de1 n PRO 71 N -1.10 0.12 -0.06 0.00 -0.02 -1.17 -1.92 135.00 130.85 1de1 n PRO 71 Ca 0.11 0.47 -0.01 0.00 -2.02 0.00 0.00 63.50 62.05 1de1 n PRO 71 Cb 0.45 -1.80 -0.16 0.00 -0.02 0.00 0.00 33.50 31.98 1de1 n PRO 71 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1de1 n ASP 72 N -2.04 0.18 0.00 2.55 9.92 -1.26 -4.76 116.55 121.14 1de1 n ASP 72 Ca 0.01 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.27 1de1 n ASP 72 Cb 0.13 1.39 0.00 0.00 -0.64 0.00 0.00 41.12 42.01 1de1 n ASP 72 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1de1 n GLY 73 N 1.59 1.71 0.00 0.44 0.00 -0.81 -5.19 105.19 102.93 1de1 n GLY 73 Ca -0.20 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.43 1de1 n GLY 73 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1de1 n SER 74 N 0.00 0.00 -4.56 1.61 7.64 -1.26 -4.85 113.62 112.20 1de1 n SER 74 Ca 0.00 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.46 1de1 n SER 74 Cb 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 1de1 n SER 74 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 1de1 s HIS 75 N -2.00 3.12 -0.24 1.43 2.46 -1.26 0.11 115.29 118.91 1de1 s HIS 75 Ca 0.00 0.27 -0.17 0.00 0.47 0.00 0.00 55.06 55.63 1de1 s HIS 75 Cb 0.00 -3.22 -0.16 0.00 -0.13 0.00 0.00 32.58 29.06 1de1 s HIS 75 CO 0.00 -0.70 -0.03 -0.89 -2.47 0.00 0.00 174.74 170.65 1de1 n ILE 76 N 5.68 1.54 0.00 0.89 5.41 -1.07 -4.91 119.36 126.90 1de1 n ILE 76 Ca -0.01 -0.22 0.00 0.00 1.00 0.00 0.00 62.75 63.53 1de1 n ILE 76 Cb 0.48 -1.95 0.00 0.00 -0.71 0.00 0.00 39.64 37.47 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 1.40 0.74 0.00 7.39 0.00 -1.17 -4.51 105.19 109.04 1de1 n GLY 77 Ca -0.42 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 43.76 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 1.64 0.00 -0.02 0.00 -1.26 0.10 105.19 105.66 1de1 n GLY 78 Ca 0.00 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.34 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 -0.16 1.61 7.35 -1.26 -1.71 117.46 123.29 1de1 n PHE 79 Ca 0.00 0.00 -0.06 0.00 -0.76 0.00 0.00 57.45 56.63 1de1 n PHE 79 Cb 0.00 -0.46 0.03 0.00 0.35 0.00 0.00 39.48 39.40 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 0.46 -0.98 -2.13 3.58 -1.96 0.95 116.42 116.34 1de1 h ASP 80 Ca 0.00 0.01 0.17 0.00 0.42 0.00 0.00 57.03 57.63 1de1 h ASP 80 Cb 0.00 -0.09 -0.09 0.00 1.72 0.00 0.00 39.33 40.87 1de1 h ASP 80 CO 0.00 0.33 0.61 -0.61 -2.88 0.00 0.00 179.24 176.69 1de1 h GLN 81 N 0.57 0.74 0.08 0.28 4.15 -1.92 -0.21 115.11 118.81 1de1 h GLN 81 Ca 0.20 -0.04 -0.25 0.00 0.77 0.00 0.00 58.65 59.32 1de1 h GLN 81 Cb 0.02 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.54 1de1 h GLN 81 CO -0.09 0.49 -1.13 1.25 -1.93 0.00 0.00 178.83 177.42 1de1 h LEU 82 N 0.77 0.31 -1.98 -2.39 6.46 -0.48 -3.17 115.31 114.82 1de1 h LEU 82 Ca 0.53 -0.32 0.24 0.00 -0.12 0.00 0.00 57.88 58.22 1de1 h LEU 82 Cb 0.82 -0.10 -0.03 0.00 -0.73 0.00 0.00 40.66 40.61 1de1 h LEU 82 CO -0.31 1.23 0.62 -0.09 -0.62 0.00 0.00 178.44 179.28 1de1 h ARG 83 N 0.07 0.00 -0.19 1.25 2.43 0.10 1.57 114.38 119.61 1de1 h ARG 83 Ca -0.09 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 58.94 1de1 h ARG 83 Cb 1.86 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 31.40 1de1 h ARG 83 CO 0.18 0.00 -0.48 0.93 -1.51 0.00 0.00 179.97 179.09 1de1 h GLU 84 N 0.00 0.50 -0.36 0.20 4.39 -1.45 1.06 114.58 118.92 1de1 h GLU 84 Ca 0.40 -0.28 -0.04 0.00 0.34 0.00 0.00 59.36 59.78 1de1 h GLU 84 Cb 1.64 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 30.29 1de1 h GLU 84 CO -0.00 0.87 0.06 -0.92 -1.16 0.00 0.00 179.01 177.85 1de1 h TYR 85 N 0.40 0.55 0.00 4.33 5.03 0.21 -3.33 116.97 124.16 1de1 h TYR 85 Ca 0.02 -0.04 0.00 0.00 2.58 0.00 0.00 58.73 61.29 1de1 h TYR 85 Cb 0.99 -0.16 0.00 0.00 1.55 0.00 0.00 36.73 39.10 1de1 h TYR 85 CO 0.04 0.50 0.00 1.19 -1.32 0.00 0.00 178.16 178.57 1de1 n PHE 86 N -4.32 0.00 1.79 -3.82 3.72 -0.55 -5.13 117.46 109.15 1de1 n PHE 86 Ca 0.02 0.00 0.15 0.00 -0.05 0.00 0.00 57.45 57.57 1de1 n PHE 86 Cb 0.21 -0.29 0.77 0.00 -0.94 0.00 0.00 39.48 39.23 1de1 n PHE 86 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34