#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 1.54 -3.21 1.12 3.72 -1.26 -3.84 117.46 115.53 1de1 n PHE 2 Ca 0.00 1.01 -0.39 0.00 -0.05 0.00 0.00 57.45 58.03 1de1 n PHE 2 Cb 0.00 -2.20 -0.06 0.00 -0.94 0.00 0.00 39.48 36.28 1de1 n PHE 2 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1de1 s LYS 3 N 3.82 4.33 -0.14 -1.08 3.01 0.25 0.11 119.74 130.04 1de1 s LYS 3 Ca 1.07 0.57 0.00 0.00 -1.01 0.00 0.00 55.97 56.61 1de1 s LYS 3 Cb -1.47 -3.47 -0.01 0.00 -1.01 0.00 0.00 37.83 31.88 1de1 s LYS 3 CO 0.75 0.05 -0.15 0.08 0.51 0.00 0.00 175.35 176.60 1de1 s VAL 4 N 0.94 2.76 -0.55 3.17 1.01 -0.06 0.14 120.40 127.81 1de1 s VAL 4 Ca 0.29 -0.75 -0.12 0.00 0.00 0.00 0.00 61.98 61.40 1de1 s VAL 4 Cb -0.16 -2.16 0.14 0.00 0.00 0.00 0.00 36.38 34.20 1de1 s VAL 4 CO 0.12 0.52 0.46 -0.31 0.00 0.00 0.00 175.10 175.89 1de1 s TYR 5 N 0.64 3.41 0.00 5.22 2.02 0.41 -1.24 117.35 127.81 1de1 s TYR 5 Ca -0.08 -1.74 0.00 0.00 -0.37 0.00 0.00 57.07 54.88 1de1 s TYR 5 Cb -0.16 -3.63 0.00 0.00 -0.40 0.00 0.00 41.96 37.77 1de1 s TYR 5 CO 0.02 -0.99 0.00 0.41 -1.57 0.00 0.00 175.55 173.42 1de1 n GLY 6 N 4.82 4.16 3.23 0.71 0.00 -1.05 -0.35 105.19 116.70 1de1 n GLY 6 Ca -0.06 -0.31 -0.15 0.00 0.00 0.00 0.00 46.02 45.50 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 0.47 1.23 -0.00 1.61 1.51 -1.26 0.66 117.35 121.57 1de1 s TYR 7 Ca 0.00 -0.72 -0.00 0.00 -1.01 0.00 0.00 57.07 55.34 1de1 s TYR 7 Cb 0.00 -0.64 -0.00 0.00 -0.11 0.00 0.00 41.96 41.21 1de1 s TYR 7 CO 0.00 0.07 0.47 0.22 -1.11 0.00 0.00 175.55 175.19 1de1 h ASP 8 N 3.04 -0.00 0.00 2.29 3.58 -1.89 -3.46 116.42 119.97 1de1 h ASP 8 Ca -0.37 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.08 1de1 h ASP 8 Cb 1.19 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.24 1de1 h ASP 8 CO 0.60 -0.00 0.00 -0.24 -2.88 0.00 0.00 179.24 176.72 1de1 n SER 9 N -2.03 0.00 0.08 2.28 2.88 -1.19 -4.77 113.62 110.87 1de1 n SER 9 Ca -0.00 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.53 1de1 n SER 9 Cb 0.00 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.41 1de1 n SER 9 CO 0.00 0.00 0.00 -1.13 -1.23 0.00 0.00 175.04 172.68 1de1 h ASN 10 N 0.00 0.00 0.01 -3.46 -1.24 -1.96 -3.36 115.58 105.57 1de1 h ASN 10 Ca 0.00 0.00 -0.20 0.00 0.71 0.00 0.00 56.30 56.81 1de1 h ASN 10 Cb 0.00 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.02 1de1 h ASN 10 CO 0.00 0.69 -1.11 0.40 -1.29 0.00 0.00 177.43 176.12 1de1 h ILE 11 N 0.00 1.04 -3.70 2.57 5.03 -1.92 -3.49 117.51 117.04 1de1 h ILE 11 Ca -0.06 -2.22 -0.13 0.00 -0.12 0.00 0.00 64.86 62.33 1de1 h ILE 11 Cb 1.58 2.43 -0.18 0.00 -3.03 0.00 0.00 36.82 37.62 1de1 h ILE 11 CO 0.08 0.40 -0.49 -2.28 -0.68 0.00 0.00 178.15 175.17 1de1 s HIS 12 N -2.35 0.14 0.83 1.37 2.46 -1.26 -4.88 115.29 111.60 1de1 s HIS 12 Ca -0.27 -0.39 -0.15 0.00 0.47 0.00 0.00 55.06 54.72 1de1 s HIS 12 Cb 0.05 -0.10 -0.05 0.00 -0.13 0.00 0.00 32.58 32.35 1de1 s HIS 12 CO 0.62 -0.36 0.18 1.17 -2.47 0.00 0.00 174.74 173.88 1de1 n LYS 13 N 0.87 0.03 -2.67 2.88 4.81 -1.26 -3.18 118.16 119.64 1de1 n LYS 13 Ca -0.20 0.04 -0.04 0.00 -0.87 0.00 0.00 58.31 57.25 1de1 n LYS 13 Cb 0.58 -1.61 0.10 0.00 0.02 0.00 0.00 35.03 34.12 1de1 n LYS 13 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1de1 h VAL 15 N 1.05 1.73 0.00 0.00 -1.51 -1.95 -3.27 116.25 112.30 1de1 h VAL 15 Ca -0.27 -2.39 -0.00 0.00 -1.23 0.00 0.00 66.70 62.81 1de1 h VAL 15 Cb 1.19 3.35 -0.00 0.00 -2.13 0.00 0.00 31.29 33.70 1de1 h VAL 15 CO -0.02 0.63 -0.02 0.22 -1.23 0.00 0.00 177.57 177.16 1de1 h TYR 16 N -0.86 0.00 -0.16 5.19 3.20 -2.00 -2.83 116.97 119.51 1de1 h TYR 16 Ca -0.03 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.82 1de1 h TYR 16 Cb 1.14 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.41 1de1 h TYR 16 CO 0.26 0.02 0.02 0.00 -1.64 0.00 0.00 178.16 176.82 1de1 h ASP 18 N 0.04 0.00 -0.13 0.00 1.82 -1.55 0.15 116.42 116.75 1de1 h ASP 18 Ca 0.05 0.00 -0.15 0.00 -0.39 0.00 0.00 57.03 56.53 1de1 h ASP 18 Cb 0.31 0.00 0.01 0.00 0.68 0.00 0.00 39.33 40.33 1de1 h ASP 18 CO 0.00 0.00 -0.52 0.78 -1.61 0.00 0.00 179.24 177.89 1de1 h ASN 19 N 0.00 0.68 -0.40 2.28 2.35 -1.50 -2.16 115.58 116.82 1de1 h ASN 19 Ca 0.13 -0.62 -0.14 0.00 -0.55 0.00 0.00 56.30 55.12 1de1 h ASN 19 Cb 0.69 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.85 1de1 h ASN 19 CO -0.00 1.19 -0.28 0.00 -1.65 0.00 0.00 177.43 176.68 1de1 h ALA 20 N 0.50 0.58 0.59 -0.83 0.00 -0.80 -0.96 119.26 118.35 1de1 h ALA 20 Ca -0.03 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.44 1de1 h ALA 20 Cb 1.16 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.82 1de1 h ALA 20 CO 0.11 0.61 -0.28 0.87 0.00 0.00 0.00 179.25 180.55 1de1 h LYS 21 N 0.72 -0.77 -0.49 0.00 1.57 -1.19 -1.73 116.57 114.69 1de1 h LYS 21 Ca 0.08 0.05 0.03 0.00 -1.87 0.00 0.00 60.65 58.94 1de1 h LYS 21 Cb 0.87 0.17 -0.03 0.00 0.08 0.00 0.00 32.23 33.32 1de1 h LYS 21 CO 0.08 -0.47 0.32 0.07 -0.57 0.00 0.00 179.45 178.88 1de1 h ARG 22 N -0.94 0.53 0.03 3.15 -0.00 -1.45 -1.96 114.38 113.75 1de1 h ARG 22 Ca -0.08 -0.03 0.01 0.00 -0.00 0.00 0.00 59.98 59.88 1de1 h ARG 22 Cb 0.66 -0.12 -0.02 0.00 -0.00 0.00 0.00 29.97 30.49 1de1 h ARG 22 CO 0.13 0.35 -0.10 1.25 -0.00 0.00 0.00 179.97 181.61 1de1 h LEU 23 N 0.55 -0.27 -0.75 0.08 6.46 -0.93 0.13 115.31 120.57 1de1 h LEU 23 Ca 0.20 0.04 0.04 0.00 -0.12 0.00 0.00 57.88 58.04 1de1 h LEU 23 Cb 0.10 0.11 -0.05 0.00 -0.73 0.00 0.00 40.66 40.09 1de1 h LEU 23 CO -0.05 -0.14 0.46 -0.07 -0.62 0.00 0.00 178.44 178.02 1de1 h LEU 24 N -0.18 0.74 -1.05 2.25 3.38 -0.59 0.74 115.31 120.60 1de1 h LEU 24 Ca 0.03 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1de1 h LEU 24 Cb 0.21 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 1de1 h LEU 24 CO -0.08 0.49 0.56 0.74 0.09 0.00 0.00 178.44 180.25 1de1 h THR 25 N 0.88 1.24 -0.10 0.22 2.02 -0.90 0.41 112.91 116.69 1de1 h THR 25 Ca 0.32 -0.50 -0.23 0.00 0.77 0.00 0.00 66.41 66.76 1de1 h THR 25 Cb 0.09 -0.05 0.01 0.00 -1.74 0.00 0.00 68.15 66.46 1de1 h THR 25 CO -0.14 0.25 -0.86 0.58 0.37 0.00 0.00 175.52 175.72 1de1 h VAL 26 N 1.24 1.29 0.00 3.16 2.07 0.21 -3.02 116.25 121.20 1de1 h VAL 26 Ca 0.33 -2.09 0.00 0.00 0.82 0.00 0.00 66.70 65.76 1de1 h VAL 26 Cb -0.09 2.12 0.00 0.00 -1.52 0.00 0.00 31.29 31.81 1de1 h VAL 26 CO -0.06 0.65 0.00 1.17 0.02 0.00 0.00 177.57 179.35 1de1 n LYS 27 N -3.89 0.13 -2.84 1.57 0.00 0.25 -4.91 118.16 108.46 1de1 n LYS 27 Ca -0.08 0.26 -0.10 0.00 0.00 0.00 0.00 58.31 58.38 1de1 n LYS 27 Cb 0.79 -1.70 0.05 0.00 0.00 0.00 0.00 35.03 34.16 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 -1.94 -3.86 -3.61 1.64 4.81 0.13 -5.04 118.16 110.28 1de1 n LYS 28 Ca 0.04 0.49 -0.29 0.00 -0.87 0.00 0.00 58.31 57.68 1de1 n LYS 28 Cb 0.29 -4.43 -0.15 0.00 0.02 0.00 0.00 35.03 30.75 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 -4.86 0.34 1.01 1.64 -1.52 -0.17 -5.03 119.66 111.07 1de1 s GLN 29 Ca 0.03 -0.59 -0.22 0.00 -1.95 0.00 0.00 55.36 52.63 1de1 s GLN 29 Cb -0.01 -1.54 -0.05 0.00 -0.22 0.00 0.00 33.01 31.19 1de1 s GLN 29 CO 0.42 -0.93 -0.77 -2.30 -0.25 0.00 0.00 175.29 171.46 1de1 n PRO 30 N 5.14 -0.75 -3.81 2.91 -0.02 -1.26 -4.59 135.00 132.62 1de1 n PRO 30 Ca -0.05 -0.21 -0.05 0.00 -2.02 0.00 0.00 63.50 61.16 1de1 n PRO 30 Cb 0.43 -1.27 -0.02 0.00 -0.02 0.00 0.00 33.50 32.62 1de1 n PRO 30 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 1de1 s PHE 31 N -2.08 -0.15 -0.18 6.00 -0.71 -1.26 -4.21 117.98 115.38 1de1 s PHE 31 Ca 0.40 -0.24 -0.02 0.00 -1.04 0.00 0.00 56.93 56.03 1de1 s PHE 31 Cb 0.01 0.68 0.05 0.00 -1.21 0.00 0.00 43.02 42.55 1de1 s PHE 31 CO 0.59 -1.05 0.00 -2.00 -1.34 0.00 0.00 175.22 171.42 1de1 s GLU 32 N -3.56 0.92 0.33 1.99 2.12 0.31 -4.79 118.70 116.02 1de1 s GLU 32 Ca 0.12 -0.43 -0.08 0.00 0.36 0.00 0.00 54.97 54.93 1de1 s GLU 32 Cb -0.04 -1.99 -0.06 0.00 0.26 0.00 0.00 34.13 32.30 1de1 s GLU 32 CO 0.05 -0.55 0.66 0.12 -0.54 0.00 0.00 175.26 175.00 1de1 s PHE 33 N 1.77 3.46 -0.17 5.30 5.36 -1.26 -0.88 117.98 131.57 1de1 s PHE 33 Ca -0.00 0.88 -0.06 0.00 -0.96 0.00 0.00 56.93 56.78 1de1 s PHE 33 Cb -0.16 -2.29 0.08 0.00 -0.34 0.00 0.00 43.02 40.30 1de1 s PHE 33 CO -0.07 0.06 0.36 0.42 -1.46 0.00 0.00 175.22 174.52 1de1 s ILE 34 N -2.17 -0.46 -0.37 3.12 1.01 -0.37 -4.85 121.20 117.11 1de1 s ILE 34 Ca 0.48 0.20 -0.28 0.00 0.00 0.00 0.00 60.65 61.04 1de1 s ILE 34 Cb -0.11 -0.57 -0.01 0.00 0.01 0.00 0.00 42.46 41.79 1de1 s ILE 34 CO 0.29 0.08 1.66 0.54 0.00 0.00 0.00 174.94 177.51 1de1 s ASN 35 N 2.33 6.02 0.49 3.58 4.22 -1.26 -2.54 114.94 127.78 1de1 s ASN 35 Ca -0.02 1.08 0.30 0.00 -2.14 0.00 0.00 52.86 52.09 1de1 s ASN 35 Cb -0.11 -2.53 1.12 0.00 1.28 0.00 0.00 41.25 41.00 1de1 s ASN 35 CO -0.11 -1.64 1.88 -0.29 -2.04 0.00 0.00 177.10 174.89 1de1 h ILE 36 N 6.69 0.00 -2.91 0.54 2.10 -0.10 -3.39 117.51 120.44 1de1 h ILE 36 Ca -0.31 -0.58 -0.58 0.00 1.08 0.00 0.00 64.86 64.47 1de1 h ILE 36 Cb 1.15 1.55 -0.40 0.00 -1.09 0.00 0.00 36.82 38.03 1de1 h ILE 36 CO 1.06 0.00 -0.78 -0.32 -1.08 0.00 0.00 178.15 177.03 1de1 s MET 37 N -3.53 0.74 -0.10 2.19 0.00 -1.25 -0.54 119.30 116.81 1de1 s MET 37 Ca 0.03 -1.29 0.03 0.00 0.00 0.00 0.00 55.69 54.46 1de1 s MET 37 Cb 0.08 -1.78 0.23 0.00 0.00 0.00 0.00 34.83 33.36 1de1 s MET 37 CO 0.55 -1.09 1.04 -0.35 0.00 0.00 0.00 175.02 175.17 1de1 n PRO 38 N 4.38 1.85 -4.16 4.11 -0.04 -1.25 -4.85 135.00 135.03 1de1 n PRO 38 Ca 0.03 -0.92 -0.10 0.00 -0.04 0.00 0.00 63.50 62.47 1de1 n PRO 38 Cb 0.39 -1.58 -0.10 0.00 -0.04 0.00 0.00 33.50 32.17 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 -1.30 0.98 0.00 0.54 2.12 -1.23 -5.02 118.70 114.78 1de1 s GLU 39 Ca 0.17 -1.47 0.04 0.00 0.36 0.00 0.00 54.97 54.06 1de1 s GLU 39 Cb 0.13 0.20 0.19 0.00 0.26 0.00 0.00 34.13 34.91 1de1 s GLU 39 CO 0.04 -0.26 1.03 1.63 -0.54 0.00 0.00 175.26 177.16 1de1 n LYS 40 N -0.13 0.03 0.00 4.30 5.02 -1.26 -3.89 118.16 122.23 1de1 n LYS 40 Ca -0.05 0.33 0.00 0.00 -2.02 0.00 0.00 58.31 56.57 1de1 n LYS 40 Cb 0.64 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.15 1de1 n LYS 40 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1de1 n GLY 41 N -1.00 0.00 3.05 0.72 0.00 -1.26 -5.01 105.19 101.70 1de1 n GLY 41 Ca 0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 1de1 n GLY 41 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1de1 s VAL 42 N 0.00 -0.41 0.45 1.61 1.01 -1.25 -5.15 120.40 116.66 1de1 s VAL 42 Ca 0.00 0.25 -0.20 0.00 0.00 0.00 0.00 61.98 62.03 1de1 s VAL 42 Cb 0.00 -0.47 -0.10 0.00 0.00 0.00 0.00 36.38 35.81 1de1 s VAL 42 CO 0.00 0.10 0.97 0.72 0.00 0.00 0.00 175.10 176.89 1de1 s PHE 43 N 2.32 3.29 -0.72 5.22 -0.71 -1.26 -3.53 117.98 122.59 1de1 s PHE 43 Ca -0.00 1.58 -0.27 0.00 -1.04 0.00 0.00 56.93 57.20 1de1 s PHE 43 Cb -0.12 -2.87 0.02 0.00 -1.21 0.00 0.00 43.02 38.84 1de1 s PHE 43 CO -0.09 -0.26 1.39 0.34 -1.34 0.00 0.00 175.22 175.26 1de1 s ASP 44 N -2.31 6.00 0.55 1.98 -1.08 0.30 -4.86 116.67 117.25 1de1 s ASP 44 Ca 0.62 -0.32 0.36 0.00 -0.52 0.00 0.00 52.55 52.69 1de1 s ASP 44 Cb -0.10 -2.55 1.53 0.00 -1.46 0.00 0.00 42.92 40.34 1de1 s ASP 44 CO 0.17 -1.94 1.81 -0.78 0.52 0.00 0.00 175.17 174.96 1de1 h ASP 45 N 10.93 0.00 0.43 -0.34 1.82 -1.93 -0.21 116.42 127.13 1de1 h ASP 45 Ca -0.27 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.35 1de1 h ASP 45 Cb 1.07 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.08 1de1 h ASP 45 CO 1.27 0.00 -0.21 -0.08 -1.61 0.00 0.00 179.24 178.61 1de1 h GLU 46 N 0.00 -0.56 -0.36 0.28 4.81 -1.98 0.69 114.58 117.46 1de1 h GLU 46 Ca 0.53 0.04 -0.12 0.00 -0.13 0.00 0.00 59.36 59.68 1de1 h GLU 46 Cb 2.17 0.13 -0.01 0.00 0.63 0.00 0.00 28.75 31.67 1de1 h GLU 46 CO -0.01 -0.36 -0.24 0.87 -0.73 0.00 0.00 179.01 178.55 1de1 h LYS 47 N -0.61 0.80 -0.49 1.92 1.57 -1.49 -2.94 116.57 115.33 1de1 h LYS 47 Ca -0.06 -0.38 -0.04 0.00 -1.87 0.00 0.00 60.65 58.30 1de1 h LYS 47 Cb 0.46 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.74 1de1 h LYS 47 CO 0.10 1.00 0.13 0.82 -0.57 0.00 0.00 179.45 180.93 1de1 h ILE 48 N 0.58 1.21 0.08 1.86 5.03 -1.10 -2.26 117.51 122.91 1de1 h ILE 48 Ca 0.07 -0.72 0.01 0.00 -0.12 0.00 0.00 64.86 64.11 1de1 h ILE 48 Cb 0.80 0.69 -0.02 0.00 -3.03 0.00 0.00 36.82 35.26 1de1 h ILE 48 CO 0.07 0.27 -0.15 0.00 -0.68 0.00 0.00 178.15 177.65 1de1 h ALA 49 N 1.44 -0.24 -0.29 1.87 0.00 0.58 -1.44 119.26 121.17 1de1 h ALA 49 Ca 0.16 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1de1 h ALA 49 Cb 0.24 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1de1 h ALA 49 CO -0.01 -0.67 0.14 1.49 0.00 0.00 0.00 179.25 180.20 1de1 h GLU 50 N -0.29 0.40 0.20 0.00 4.81 -1.35 -2.61 114.58 115.73 1de1 h GLU 50 Ca 0.03 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 1de1 h GLU 50 Cb 0.32 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.61 1de1 h GLU 50 CO -0.09 0.31 -0.10 1.25 -0.73 0.00 0.00 179.01 179.66 1de1 h LEU 51 N 0.40 -0.23 -0.73 1.64 6.46 -0.71 -2.06 115.31 120.09 1de1 h LEU 51 Ca 0.10 0.00 0.13 0.00 -0.12 0.00 0.00 57.88 57.99 1de1 h LEU 51 Cb 0.05 0.06 -0.09 0.00 -0.73 0.00 0.00 40.66 39.95 1de1 h LEU 51 CO -0.01 -0.16 0.30 -0.07 -0.62 0.00 0.00 178.44 177.88 1de1 h LEU 52 N -0.28 0.30 -0.16 2.25 3.38 -0.92 -0.67 115.31 119.21 1de1 h LEU 52 Ca -0.03 0.10 0.02 0.00 0.09 0.00 0.00 57.88 58.06 1de1 h LEU 52 Cb 0.21 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 1de1 h LEU 52 CO 0.05 0.14 0.03 0.74 0.09 0.00 0.00 178.44 179.49 1de1 h THR 53 N 0.47 0.93 -0.68 0.22 2.02 -1.30 -1.86 112.91 112.70 1de1 h THR 53 Ca 0.39 -0.03 0.02 0.00 0.77 0.00 0.00 66.41 67.55 1de1 h THR 53 Cb 0.54 0.82 -0.04 0.00 -1.74 0.00 0.00 68.15 67.74 1de1 h THR 53 CO -0.37 0.02 0.45 0.11 0.37 0.00 0.00 175.52 176.10 1de1 h LYS 54 N 0.10 0.86 0.23 6.66 1.57 -0.59 -2.62 116.57 122.77 1de1 h LYS 54 Ca 0.07 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1de1 h LYS 54 Cb 0.07 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.18 1de1 h LYS 54 CO -0.10 0.57 -0.11 -0.07 -0.57 0.00 0.00 179.45 179.17 1de1 h LEU 55 N 0.88 -0.26 0.00 2.94 3.38 -0.42 -3.44 115.31 118.39 1de1 h LEU 55 Ca 0.26 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.24 1de1 h LEU 55 Cb -0.04 0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1de1 h LEU 55 CO -0.06 -0.19 0.00 0.61 0.09 0.00 0.00 178.44 178.89 1de1 n GLY 56 N -1.22 -0.25 1.26 0.83 0.00 -0.77 -5.00 105.19 100.05 1de1 n GLY 56 Ca -0.09 0.53 0.03 0.00 0.00 0.00 0.00 46.02 46.49 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 -4.54 116.66 114.20 1de1 n ARG 57 Ca 0.00 -1.72 0.00 0.00 -0.77 0.00 0.00 57.85 55.36 1de1 n ARG 57 Cb 0.00 -0.07 0.00 0.00 -1.02 0.00 0.00 32.46 31.37 1de1 n ARG 57 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1de1 n ASP 58 N 0.37 0.00 -4.62 0.55 -0.08 -1.26 -5.14 116.55 106.37 1de1 n ASP 58 Ca 0.03 0.00 -0.28 0.00 -1.51 0.00 0.00 54.79 53.03 1de1 n ASP 58 Cb 1.03 0.00 -0.11 0.00 2.34 0.00 0.00 41.12 44.38 1de1 n ASP 58 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 1de1 s THR 59 N 2.46 1.96 -0.67 5.18 -1.32 -1.26 -4.91 115.64 117.07 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 -0.03 0.00 -1.51 0.00 0.00 72.50 67.99 1de1 s THR 59 CO 0.00 0.00 1.87 0.00 -2.21 0.00 0.00 174.62 174.28 1de1 s GLN 60 N -3.72 2.62 -1.18 7.08 -2.07 -1.26 -4.89 119.66 116.24 1de1 s GLN 60 Ca 0.34 0.41 -0.20 0.00 -1.82 0.00 0.00 55.36 54.10 1de1 s GLN 60 Cb 0.10 -4.52 0.06 0.00 -1.09 0.00 0.00 33.01 27.56 1de1 s GLN 60 CO 0.18 -2.85 1.61 0.42 -1.32 0.00 0.00 175.29 173.32 1de1 s ILE 61 N 9.22 4.07 -1.83 3.63 1.09 -1.26 -4.13 121.20 132.00 1de1 s ILE 61 Ca 0.67 -1.46 0.00 0.00 -1.10 0.00 0.00 60.65 58.77 1de1 s ILE 61 Cb -0.11 -5.13 0.00 0.00 -1.06 0.00 0.00 42.46 36.16 1de1 s ILE 61 CO 0.16 -1.98 0.00 0.61 -0.10 0.00 0.00 174.94 173.64 1de1 n GLY 62 N 5.98 0.33 3.52 6.18 0.00 -1.26 -4.90 105.19 115.03 1de1 n GLY 62 Ca 0.42 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.75 1.48 -4.49 0.99 7.99 -1.26 -5.01 117.00 113.96 1de1 n LEU 63 Ca -0.22 0.82 -0.24 0.00 -0.01 0.00 0.00 56.01 56.37 1de1 n LEU 63 Cb 0.67 -1.23 -0.10 0.00 -0.11 0.00 0.00 43.42 42.64 1de1 n LEU 63 CO 0.28 -2.56 -0.37 0.42 -1.51 0.00 0.00 177.39 173.66 1de1 s THR 64 N -1.57 1.92 0.18 -5.08 -4.23 -1.26 -5.15 115.64 100.45 1de1 s THR 64 Ca 0.68 -2.15 0.11 0.00 -1.18 0.00 0.00 61.69 59.15 1de1 s THR 64 Cb -0.48 -2.57 -0.04 0.00 1.34 0.00 0.00 72.50 70.74 1de1 s THR 64 CO 0.54 -0.23 -0.21 -0.04 -0.54 0.00 0.00 174.62 174.14 1de1 s MET 65 N -3.68 1.65 0.05 3.99 1.00 -1.26 -3.92 119.30 117.13 1de1 s MET 65 Ca 0.31 -1.43 -0.23 0.00 0.00 0.00 0.00 55.69 54.35 1de1 s MET 65 Cb 0.04 -1.94 -0.06 0.00 0.00 0.00 0.00 34.83 32.87 1de1 s MET 65 CO 0.14 0.42 0.68 -1.25 0.00 0.00 0.00 175.02 175.01 1de1 s PRO 66 N -2.62 4.40 -0.12 2.03 0.05 -1.26 -5.05 135.00 132.42 1de1 s PRO 66 Ca 0.21 0.91 -0.18 0.00 0.05 0.00 0.00 61.00 61.99 1de1 s PRO 66 Cb -0.08 -3.32 -0.04 0.00 0.05 0.00 0.00 34.50 31.10 1de1 s PRO 66 CO 0.11 0.41 0.48 -1.14 0.05 0.00 0.00 177.00 176.91 1de1 s GLN 67 N -0.42 4.33 0.15 4.56 2.00 0.52 -4.45 119.66 126.35 1de1 s GLN 67 Ca 0.34 0.45 0.04 0.00 -2.00 0.00 0.00 55.36 54.19 1de1 s GLN 67 Cb -0.20 -3.45 -0.04 0.00 0.80 0.00 0.00 33.01 30.13 1de1 s GLN 67 CO 0.21 0.13 0.19 0.08 -0.50 0.00 0.00 175.29 175.40 1de1 s VAL 68 N 0.70 4.86 -0.04 1.34 1.01 0.93 0.15 120.40 129.35 1de1 s VAL 68 Ca 0.26 -0.87 -0.03 0.00 0.00 0.00 0.00 61.98 61.34 1de1 s VAL 68 Cb -0.15 -3.47 0.01 0.00 0.00 0.00 0.00 36.38 32.77 1de1 s VAL 68 CO 0.10 -0.07 0.10 -0.36 0.00 0.00 0.00 175.10 174.87 1de1 s PHE 69 N -1.71 -0.11 1.02 5.22 0.08 0.37 -2.75 117.98 120.11 1de1 s PHE 69 Ca 0.32 0.28 -0.17 0.00 0.12 0.00 0.00 56.93 57.48 1de1 s PHE 69 Cb -0.11 0.00 -0.01 0.00 -0.57 0.00 0.00 43.02 42.33 1de1 s PHE 69 CO 0.25 -0.07 -0.22 0.00 -0.10 0.00 0.00 175.22 175.09 1de1 n ALA 70 N 3.26 -4.06 -0.18 5.36 0.00 0.17 0.84 120.51 125.89 1de1 n ALA 70 Ca -0.15 -0.92 -0.05 0.00 0.00 0.00 0.00 53.44 52.31 1de1 n ALA 70 Cb 0.58 -1.45 -0.01 0.00 0.00 0.00 0.00 19.45 18.57 1de1 n ALA 70 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1de1 n PRO 71 N -0.40 0.51 -1.34 0.00 -0.04 -1.26 -3.00 135.00 129.47 1de1 n PRO 71 Ca 0.02 -0.68 0.00 0.00 -0.04 0.00 0.00 63.50 62.80 1de1 n PRO 71 Cb 0.59 -2.06 0.00 0.00 -0.04 0.00 0.00 33.50 32.00 1de1 n PRO 71 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1de1 n ASP 72 N 4.60 -0.67 0.00 3.54 -0.08 -1.26 -4.69 116.55 117.98 1de1 n ASP 72 Ca 0.11 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.39 1de1 n ASP 72 Cb 0.04 -0.33 0.00 0.00 2.34 0.00 0.00 41.12 43.17 1de1 n ASP 72 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1de1 n GLY 73 N -1.01 0.21 0.00 0.27 0.00 -1.16 -5.16 105.19 98.34 1de1 n GLY 73 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1de1 n GLY 73 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1de1 n SER 74 N 0.00 0.00 -4.68 1.61 3.41 -1.26 -4.90 113.62 107.80 1de1 n SER 74 Ca 0.00 -0.92 -0.41 0.00 -0.26 0.00 0.00 58.87 57.28 1de1 n SER 74 Cb 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 1de1 n SER 74 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 1de1 s HIS 75 N -3.13 3.47 -0.24 7.33 2.46 -1.26 0.44 115.29 124.35 1de1 s HIS 75 Ca 0.00 1.36 -0.10 0.00 0.47 0.00 0.00 55.06 56.79 1de1 s HIS 75 Cb 0.00 -3.04 -0.17 0.00 -0.13 0.00 0.00 32.58 29.24 1de1 s HIS 75 CO 0.00 -0.19 -0.13 -0.89 -2.47 0.00 0.00 174.74 171.06 1de1 n ILE 76 N 4.55 1.55 0.00 0.89 5.41 -1.11 -4.89 119.36 125.76 1de1 n ILE 76 Ca 0.05 -0.41 0.00 0.00 1.00 0.00 0.00 62.75 63.39 1de1 n ILE 76 Cb 0.49 -1.76 0.00 0.00 -0.71 0.00 0.00 39.64 37.66 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 1.66 0.85 0.00 7.39 0.00 -1.21 -4.57 105.19 109.32 1de1 n GLY 77 Ca -0.45 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 43.74 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 1.44 0.00 -0.02 0.00 -1.26 -0.05 105.19 105.31 1de1 n GLY 78 Ca 0.00 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.46 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 -0.10 1.61 7.35 -1.26 -2.25 117.46 122.81 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 -0.47 0.01 0.00 0.35 0.00 0.00 39.48 39.37 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 0.07 -0.92 -2.13 1.82 -1.98 0.24 116.42 113.52 1de1 h ASP 80 Ca 0.00 0.05 0.16 0.00 -0.39 0.00 0.00 57.03 56.85 1de1 h ASP 80 Cb 0.00 0.05 -0.10 0.00 0.68 0.00 0.00 39.33 39.96 1de1 h ASP 80 CO 0.00 0.07 0.52 1.56 -1.61 0.00 0.00 179.24 179.78 1de1 h GLN 81 N 0.22 0.69 0.02 0.28 1.08 -1.92 -0.26 115.11 115.22 1de1 h GLN 81 Ca 0.16 -0.04 -0.22 0.00 -1.45 0.00 0.00 58.65 57.10 1de1 h GLN 81 Cb 0.16 -0.16 -0.00 0.00 -0.05 0.00 0.00 27.48 27.43 1de1 h GLN 81 CO -0.19 0.46 -0.95 1.25 -0.95 0.00 0.00 178.83 178.45 1de1 h LEU 82 N 0.71 0.39 -1.97 1.46 6.46 -0.86 -3.07 115.31 118.42 1de1 h LEU 82 Ca 0.51 -0.32 0.22 0.00 -0.12 0.00 0.00 57.88 58.16 1de1 h LEU 82 Cb 0.72 -0.12 -0.03 0.00 -0.73 0.00 0.00 40.66 40.50 1de1 h LEU 82 CO -0.36 1.14 0.59 -0.09 -0.62 0.00 0.00 178.44 179.10 1de1 h ARG 83 N 0.15 0.00 -0.17 1.25 2.43 0.13 1.66 114.38 119.83 1de1 h ARG 83 Ca -0.07 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 58.98 1de1 h ARG 83 Cb 1.60 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 31.14 1de1 h ARG 83 CO 0.15 0.00 -0.41 1.49 -1.51 0.00 0.00 179.97 179.70 1de1 h GLU 84 N 0.00 0.40 -0.23 0.20 4.81 -1.37 1.18 114.58 119.57 1de1 h GLU 84 Ca 0.36 -0.19 -0.06 0.00 -0.13 0.00 0.00 59.36 59.34 1de1 h GLU 84 Cb 1.54 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.90 1de1 h GLU 84 CO -0.00 0.74 -0.11 -0.92 -0.73 0.00 0.00 179.01 177.99 1de1 h TYR 85 N 0.33 0.39 0.00 0.92 5.03 0.23 -3.33 116.97 120.55 1de1 h TYR 85 Ca 0.03 -0.05 0.00 0.00 2.58 0.00 0.00 58.73 61.29 1de1 h TYR 85 Cb 0.86 -0.11 0.00 0.00 1.55 0.00 0.00 36.73 39.03 1de1 h TYR 85 CO 0.02 0.48 -0.16 1.19 -1.32 0.00 0.00 178.16 178.37 1de1 n PHE 86 N -4.25 0.28 -1.02 -3.82 3.72 -0.74 -5.14 117.46 106.50 1de1 n PHE 86 Ca 0.00 0.12 0.00 0.00 -0.05 0.00 0.00 57.45 57.52 1de1 n PHE 86 Cb 0.28 -0.40 0.00 0.00 -0.94 0.00 0.00 39.48 38.42 1de1 n PHE 86 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07