#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 3.13 -0.21 1.12 0.40 -1.03 -2.99 117.98 118.39 1de1 s PHE 2 Ca 0.00 1.55 -0.03 0.00 -0.60 0.00 0.00 56.93 57.85 1de1 s PHE 2 Cb 0.00 -2.97 -0.00 0.00 0.51 0.00 0.00 43.02 40.56 1de1 s PHE 2 CO 0.00 -0.70 -0.07 0.15 0.70 0.00 0.00 175.22 175.30 1de1 s LYS 3 N -3.60 3.31 -0.10 0.44 3.01 0.87 0.53 119.74 124.20 1de1 s LYS 3 Ca 0.64 -0.66 0.01 0.00 -1.01 0.00 0.00 55.97 54.95 1de1 s LYS 3 Cb -0.14 -2.93 -0.02 0.00 -1.01 0.00 0.00 37.83 33.73 1de1 s LYS 3 CO 0.25 -0.20 -0.12 0.08 0.51 0.00 0.00 175.35 175.88 1de1 s VAL 4 N 1.45 3.22 -0.43 3.17 1.01 -1.03 0.12 120.40 127.90 1de1 s VAL 4 Ca 0.06 -0.63 -0.04 0.00 0.00 0.00 0.00 61.98 61.37 1de1 s VAL 4 Cb -0.14 -2.33 0.12 0.00 0.00 0.00 0.00 36.38 34.03 1de1 s VAL 4 CO -0.05 0.55 0.25 -0.31 0.00 0.00 0.00 175.10 175.54 1de1 s TYR 5 N -0.11 3.55 0.00 5.22 2.02 0.35 -1.86 117.35 126.52 1de1 s TYR 5 Ca -0.01 -2.31 0.00 0.00 -0.37 0.00 0.00 57.07 54.38 1de1 s TYR 5 Cb -0.14 -3.29 0.00 0.00 -0.40 0.00 0.00 41.96 38.13 1de1 s TYR 5 CO 0.03 -0.97 0.00 0.41 -1.57 0.00 0.00 175.55 173.45 1de1 n GLY 6 N 4.61 3.79 3.39 0.71 0.00 -0.98 -0.48 105.19 116.22 1de1 n GLY 6 Ca -0.03 -0.18 -0.22 0.00 0.00 0.00 0.00 46.02 45.59 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 0.13 1.99 0.00 1.61 2.02 -1.26 -0.57 117.35 121.27 1de1 s TYR 7 Ca 0.00 -0.44 0.00 0.00 -0.37 0.00 0.00 57.07 56.26 1de1 s TYR 7 Cb 0.00 -0.94 0.00 0.00 -0.40 0.00 0.00 41.96 40.62 1de1 s TYR 7 CO 0.00 0.46 0.00 -0.25 -1.57 0.00 0.00 175.55 174.19 1de1 n ASP 8 N -0.10 0.00 0.00 2.29 9.92 -1.26 -4.79 116.55 122.61 1de1 n ASP 8 Ca -0.10 0.05 0.00 0.00 -0.53 0.00 0.00 54.79 54.22 1de1 n ASP 8 Cb 0.58 -0.19 0.00 0.00 -0.64 0.00 0.00 41.12 40.87 1de1 n ASP 8 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 1de1 n SER 9 N -1.65 0.00 0.21 -2.24 2.88 -0.86 -4.65 113.62 107.31 1de1 n SER 9 Ca 0.00 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 57.63 1de1 n SER 9 Cb 0.00 0.00 0.43 0.00 -0.75 0.00 0.00 64.21 63.89 1de1 n SER 9 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 1de1 h ASN 10 N 0.00 0.00 0.00 -3.46 4.21 -1.99 -3.32 115.58 111.02 1de1 h ASN 10 Ca 0.00 0.00 -0.26 0.00 1.21 0.00 0.00 56.30 57.25 1de1 h ASN 10 Cb 0.00 0.00 -0.05 0.00 -1.12 0.00 0.00 38.32 37.15 1de1 h ASN 10 CO 0.00 0.26 -1.97 -0.38 -1.29 0.00 0.00 177.43 174.06 1de1 n ILE 11 N -3.45 0.97 -3.58 2.81 -0.00 -1.26 -5.03 119.36 109.82 1de1 n ILE 11 Ca -0.00 -0.37 -0.11 0.00 -0.00 0.00 0.00 62.75 62.27 1de1 n ILE 11 Cb 0.44 -1.11 -0.04 0.00 -0.00 0.00 0.00 39.64 38.94 1de1 n ILE 11 CO 0.00 0.00 0.00 -2.28 -0.00 0.00 0.00 176.55 174.27 1de1 s HIS 12 N -2.34 -0.30 0.87 1.39 5.04 -1.25 -4.85 115.29 113.86 1de1 s HIS 12 Ca -0.23 0.01 -0.13 0.00 -1.54 0.00 0.00 55.06 53.16 1de1 s HIS 12 Cb 0.06 0.37 0.13 0.00 0.04 0.00 0.00 32.58 33.18 1de1 s HIS 12 CO 0.39 -0.78 1.23 -1.59 -2.34 0.00 0.00 174.74 171.66 1de1 s LYS 13 N -3.80 1.38 -0.30 2.88 -2.85 -1.26 -2.03 119.74 113.77 1de1 s LYS 13 Ca 0.03 -0.15 -0.12 0.00 -1.00 0.00 0.00 55.97 54.73 1de1 s LYS 13 Cb 0.01 -1.92 0.14 0.00 -2.06 0.00 0.00 37.83 34.00 1de1 s LYS 13 CO -0.11 -1.94 0.79 0.00 0.10 0.00 0.00 175.35 174.18 1de1 n VAL 15 N 5.22 1.68 1.05 0.00 0.24 -1.26 -3.83 118.33 121.43 1de1 n VAL 15 Ca -0.11 -0.46 0.12 0.00 -2.04 0.00 0.00 64.34 61.86 1de1 n VAL 15 Cb 0.51 -1.81 0.32 0.00 -1.47 0.00 0.00 33.84 31.39 1de1 n VAL 15 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 1de1 n TYR 16 N -3.78 0.00 0.03 6.34 4.01 -1.26 -3.79 117.16 118.71 1de1 n TYR 16 Ca -0.34 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.22 1de1 n TYR 16 Cb 0.93 -0.25 -0.14 0.00 -0.31 0.00 0.00 39.34 39.57 1de1 n TYR 16 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1de1 h ASP 18 N 0.06 0.63 -0.00 0.00 1.82 -1.69 -2.46 116.42 114.77 1de1 h ASP 18 Ca -0.32 -0.24 -0.04 0.00 -0.39 0.00 0.00 57.03 56.04 1de1 h ASP 18 Cb 2.03 -0.17 0.00 0.00 0.68 0.00 0.00 39.33 41.87 1de1 h ASP 18 CO 0.13 0.88 -0.17 0.78 -1.61 0.00 0.00 179.24 179.25 1de1 h ASN 19 N 0.53 0.15 -0.72 2.28 2.35 -1.70 -2.98 115.58 115.50 1de1 h ASN 19 Ca 0.07 -0.78 0.11 0.00 -0.55 0.00 0.00 56.30 55.15 1de1 h ASN 19 Cb 0.76 -0.05 -0.08 0.00 0.05 0.00 0.00 38.32 39.01 1de1 h ASN 19 CO 0.06 0.91 0.33 0.00 -1.65 0.00 0.00 177.43 177.08 1de1 h ALA 20 N 0.25 0.99 0.42 -0.83 0.00 -1.52 0.25 119.26 118.82 1de1 h ALA 20 Ca -0.02 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1de1 h ALA 20 Cb 0.93 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1de1 h ALA 20 CO 0.03 -0.10 -0.20 -0.22 0.00 0.00 0.00 179.25 178.76 1de1 h LYS 21 N 0.54 -0.54 -0.52 0.00 3.64 -1.53 -1.67 116.57 116.50 1de1 h LYS 21 Ca 0.37 0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.81 1de1 h LYS 21 Cb 0.44 0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.36 1de1 h LYS 21 CO -0.31 -0.35 0.34 0.00 -2.27 0.00 0.00 179.45 176.86 1de1 h ARG 22 N -0.58 0.58 0.51 1.90 2.47 -1.26 -2.23 114.38 115.77 1de1 h ARG 22 Ca -0.06 -0.03 -0.02 0.00 -1.26 0.00 0.00 59.98 58.60 1de1 h ARG 22 Cb 0.44 -0.13 0.00 0.00 -1.65 0.00 0.00 29.97 28.64 1de1 h ARG 22 CO 0.09 0.38 -0.24 1.25 0.56 0.00 0.00 179.97 182.02 1de1 h LEU 23 N 0.60 -0.57 -0.54 3.04 6.46 -0.10 -1.28 115.31 122.91 1de1 h LEU 23 Ca 0.21 0.02 0.07 0.00 -0.12 0.00 0.00 57.88 58.05 1de1 h LEU 23 Cb 0.08 0.15 -0.06 0.00 -0.73 0.00 0.00 40.66 40.10 1de1 h LEU 23 CO -0.05 -0.41 0.22 -0.07 -0.62 0.00 0.00 178.44 177.51 1de1 h LEU 24 N -0.69 0.25 -1.36 2.25 3.38 -0.94 0.85 115.31 119.05 1de1 h LEU 24 Ca -0.07 0.06 0.06 0.00 0.09 0.00 0.00 57.88 58.02 1de1 h LEU 24 Cb 0.52 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.26 1de1 h LEU 24 CO 0.11 0.16 0.48 0.74 0.09 0.00 0.00 178.44 180.03 1de1 h THR 25 N 0.41 1.04 0.11 0.22 2.02 -1.25 0.14 112.91 115.60 1de1 h THR 25 Ca 0.26 -0.27 -0.27 0.00 0.77 0.00 0.00 66.41 66.90 1de1 h THR 25 Cb 0.27 0.18 0.01 0.00 -1.74 0.00 0.00 68.15 66.86 1de1 h THR 25 CO -0.24 0.14 -1.19 0.58 0.37 0.00 0.00 175.52 175.18 1de1 h VAL 26 N 0.79 1.46 0.00 3.16 2.07 0.14 -3.17 116.25 120.71 1de1 h VAL 26 Ca 0.31 -2.90 0.00 0.00 0.82 0.00 0.00 66.70 64.93 1de1 h VAL 26 Cb 0.22 2.83 0.00 0.00 -1.52 0.00 0.00 31.29 32.82 1de1 h VAL 26 CO -0.10 0.85 0.00 1.17 0.02 0.00 0.00 177.57 179.51 1de1 n LYS 27 N -3.60 0.00 -2.72 1.57 0.00 0.28 -4.89 118.16 108.81 1de1 n LYS 27 Ca -0.09 0.18 -0.07 0.00 0.00 0.00 0.00 58.31 58.34 1de1 n LYS 27 Cb 0.99 -1.50 0.02 0.00 0.00 0.00 0.00 35.03 34.54 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 -1.50 -2.24 -4.39 1.64 3.00 -0.09 -5.04 118.16 109.54 1de1 n LYS 28 Ca 0.05 0.24 -0.21 0.00 -0.00 0.00 0.00 58.31 58.39 1de1 n LYS 28 Cb 0.22 -3.49 -0.16 0.00 0.00 0.00 0.00 35.03 31.60 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 -5.14 1.09 0.56 1.64 -1.52 -0.42 -5.04 119.66 110.82 1de1 s GLN 29 Ca 0.13 -0.29 -0.11 0.00 -1.95 0.00 0.00 55.36 53.14 1de1 s GLN 29 Cb -0.06 -0.99 -0.05 0.00 -0.22 0.00 0.00 33.01 31.69 1de1 s GLN 29 CO 0.21 0.06 0.96 -1.25 -0.25 0.00 0.00 175.29 175.02 1de1 s PRO 30 N 0.43 3.65 0.27 2.91 0.04 -1.26 -4.18 135.00 136.86 1de1 s PRO 30 Ca -0.07 0.65 -0.21 0.00 0.04 0.00 0.00 61.00 61.40 1de1 s PRO 30 Cb -0.11 -2.17 0.03 0.00 0.04 0.00 0.00 34.50 32.29 1de1 s PRO 30 CO 0.01 -0.41 0.78 -0.59 0.04 0.00 0.00 177.00 176.83 1de1 s PHE 31 N -2.95 -0.14 -0.12 0.56 -0.71 -1.26 -2.46 117.98 110.90 1de1 s PHE 31 Ca 0.54 -0.32 -0.00 0.00 -1.04 0.00 0.00 56.93 56.10 1de1 s PHE 31 Cb -0.11 0.71 0.03 0.00 -1.21 0.00 0.00 43.02 42.44 1de1 s PHE 31 CO 0.47 -1.19 -0.07 -2.00 -1.34 0.00 0.00 175.22 171.09 1de1 s GLU 32 N -3.57 1.51 0.32 1.99 2.56 0.19 -4.80 118.70 116.90 1de1 s GLU 32 Ca 0.12 -0.27 -0.09 0.00 0.00 0.00 0.00 54.97 54.74 1de1 s GLU 32 Cb -0.05 -1.61 -0.06 0.00 2.00 0.00 0.00 34.13 34.41 1de1 s GLU 32 CO 0.07 -0.28 0.64 0.12 -0.56 0.00 0.00 175.26 175.25 1de1 s PHE 33 N 1.71 3.45 -0.13 5.30 5.36 -1.26 -2.48 117.98 129.92 1de1 s PHE 33 Ca 0.05 0.88 -0.05 0.00 -0.96 0.00 0.00 56.93 56.85 1de1 s PHE 33 Cb -0.13 -2.29 0.06 0.00 -0.34 0.00 0.00 43.02 40.33 1de1 s PHE 33 CO -0.08 0.10 0.28 0.42 -1.46 0.00 0.00 175.22 174.47 1de1 s ILE 34 N -2.10 -0.37 -0.48 3.12 1.01 -0.77 -4.92 121.20 116.67 1de1 s ILE 34 Ca 0.48 0.25 -0.28 0.00 0.00 0.00 0.00 60.65 61.10 1de1 s ILE 34 Cb -0.11 -0.46 0.03 0.00 0.01 0.00 0.00 42.46 41.94 1de1 s ILE 34 CO 0.27 0.10 1.09 0.20 0.00 0.00 0.00 174.94 176.61 1de1 s ASN 35 N 2.25 6.59 0.60 3.58 0.01 -1.26 -2.33 114.94 124.39 1de1 s ASN 35 Ca -0.01 0.36 0.40 0.00 -0.71 0.00 0.00 52.86 52.89 1de1 s ASN 35 Cb -0.12 -2.53 1.98 0.00 0.41 0.00 0.00 41.25 40.99 1de1 s ASN 35 CO -0.09 -1.23 2.19 0.16 -1.51 0.00 0.00 177.10 176.63 1de1 h ILE 36 N 6.20 0.00 -3.26 0.60 3.07 -1.18 -3.34 117.51 119.59 1de1 h ILE 36 Ca -0.23 -0.19 -0.63 0.00 1.55 0.00 0.00 64.86 65.36 1de1 h ILE 36 Cb 1.06 1.16 -0.41 0.00 -0.27 0.00 0.00 36.82 38.36 1de1 h ILE 36 CO 1.11 0.00 -0.67 -0.32 -1.05 0.00 0.00 178.15 177.23 1de1 s MET 37 N -3.93 1.75 0.00 0.16 0.00 -1.26 0.59 119.30 116.61 1de1 s MET 37 Ca -0.02 -2.41 0.29 0.00 0.00 0.00 0.00 55.69 53.54 1de1 s MET 37 Cb 0.11 -3.00 1.66 0.00 0.00 0.00 0.00 34.83 33.60 1de1 s MET 37 CO 0.45 -1.12 2.07 -0.35 0.00 0.00 0.00 175.02 176.07 1de1 n PRO 38 N 3.28 1.06 -3.90 4.11 -0.04 -1.26 -4.78 135.00 133.48 1de1 n PRO 38 Ca 0.06 -0.09 -0.12 0.00 -0.04 0.00 0.00 63.50 63.31 1de1 n PRO 38 Cb 0.33 -1.45 -0.14 0.00 -0.04 0.00 0.00 33.50 32.20 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 -2.00 0.05 0.00 0.54 8.01 -1.26 -5.02 118.70 119.03 1de1 s GLU 39 Ca 0.43 -0.04 0.12 0.00 0.01 0.00 0.00 54.97 55.48 1de1 s GLU 39 Cb 0.20 -0.03 0.53 0.00 -4.31 0.00 0.00 34.13 30.52 1de1 s GLU 39 CO 0.33 0.01 1.34 1.63 0.01 0.00 0.00 175.26 178.58 1de1 n LYS 40 N 3.01 0.06 -0.04 1.61 4.76 -1.26 -3.46 118.16 122.84 1de1 n LYS 40 Ca -0.13 0.26 -0.02 0.00 -2.87 0.00 0.00 58.31 55.55 1de1 n LYS 40 Cb 0.60 -1.50 -0.01 0.00 -1.84 0.00 0.00 35.03 32.28 1de1 n LYS 40 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 1de1 h GLY 41 N 1.98 0.00 -5.58 0.72 0.00 -1.97 -3.49 103.07 94.73 1de1 h GLY 41 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.10 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 -1.63 -0.00 1.09 4.60 1.01 -1.22 -5.16 120.40 119.08 1de1 s VAL 42 Ca -0.07 0.01 -0.13 0.00 0.00 0.00 0.00 61.98 61.79 1de1 s VAL 42 Cb 0.01 -0.05 0.24 0.00 0.00 0.00 0.00 36.38 36.57 1de1 s VAL 42 CO 0.11 0.00 1.06 0.72 0.00 0.00 0.00 175.10 176.99 1de1 s PHE 43 N 0.07 1.72 -0.35 5.22 -0.12 -1.26 -4.14 117.98 119.13 1de1 s PHE 43 Ca -0.00 1.08 -0.24 0.00 -0.05 0.00 0.00 56.93 57.72 1de1 s PHE 43 Cb -0.01 -3.18 0.01 0.00 -0.63 0.00 0.00 43.02 39.21 1de1 s PHE 43 CO -0.00 -3.40 0.80 0.34 -0.05 0.00 0.00 175.22 172.91 1de1 s ASP 44 N -2.99 6.60 0.42 1.98 -1.08 0.20 -4.89 116.67 116.90 1de1 s ASP 44 Ca 0.67 0.48 0.23 0.00 -0.52 0.00 0.00 52.55 53.40 1de1 s ASP 44 Cb -0.22 -2.41 0.68 0.00 -1.46 0.00 0.00 42.92 39.51 1de1 s ASP 44 CO 0.61 -0.72 1.72 0.44 0.52 0.00 0.00 175.17 177.75 1de1 h ASP 45 N 8.37 0.00 0.28 -0.34 3.32 -1.93 -2.85 116.42 123.27 1de1 h ASP 45 Ca -0.24 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.79 1de1 h ASP 45 Cb 1.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.65 1de1 h ASP 45 CO 0.91 0.22 -0.13 1.05 -1.72 0.00 0.00 179.24 179.56 1de1 h GLU 46 N 0.00 -0.36 -0.33 3.56 4.11 -1.96 0.99 114.58 120.59 1de1 h GLU 46 Ca -0.00 0.02 -0.15 0.00 0.07 0.00 0.00 59.36 59.30 1de1 h GLU 46 Cb 0.91 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.23 1de1 h GLU 46 CO 0.03 -0.23 -0.39 0.87 0.07 0.00 0.00 179.01 179.36 1de1 h LYS 47 N -0.39 0.79 -0.34 1.06 1.57 -1.95 -2.84 116.57 114.47 1de1 h LYS 47 Ca -0.04 -0.41 -0.06 0.00 -1.87 0.00 0.00 60.65 58.27 1de1 h LYS 47 Cb 0.30 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 1de1 h LYS 47 CO 0.06 1.04 -0.05 0.82 -0.57 0.00 0.00 179.45 180.76 1de1 h ILE 48 N 0.65 1.22 -0.13 1.86 2.04 -1.30 -2.69 117.51 119.16 1de1 h ILE 48 Ca 0.05 -0.91 0.00 0.00 1.00 0.00 0.00 64.86 65.00 1de1 h ILE 48 Cb 0.95 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 38.03 1de1 h ILE 48 CO 0.09 0.31 0.08 0.00 0.00 0.00 0.00 178.15 178.63 1de1 h ALA 49 N 1.43 0.16 -0.56 1.87 0.00 0.13 -1.85 119.26 120.43 1de1 h ALA 49 Ca 0.11 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.05 1de1 h ALA 49 Cb 0.41 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1de1 h ALA 49 CO 0.02 -0.34 0.38 1.49 0.00 0.00 0.00 179.25 180.80 1de1 h GLU 50 N 0.16 0.52 0.21 0.00 4.81 -1.33 -2.14 114.58 116.81 1de1 h GLU 50 Ca 0.05 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1de1 h GLU 50 Cb 0.00 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.26 1de1 h GLU 50 CO -0.01 0.34 -0.16 1.25 -0.73 0.00 0.00 179.01 179.70 1de1 h LEU 51 N 0.54 -0.42 -0.91 1.64 6.46 -1.03 -2.40 115.31 119.20 1de1 h LEU 51 Ca 0.24 0.03 0.19 0.00 -0.12 0.00 0.00 57.88 58.22 1de1 h LEU 51 Cb 0.28 0.14 -0.11 0.00 -0.73 0.00 0.00 40.66 40.23 1de1 h LEU 51 CO -0.07 -0.25 0.47 -0.07 -0.62 0.00 0.00 178.44 177.90 1de1 h LEU 52 N -0.38 0.53 -0.24 2.25 3.38 -0.95 -0.17 115.31 119.72 1de1 h LEU 52 Ca -0.01 0.12 0.04 0.00 0.09 0.00 0.00 57.88 58.11 1de1 h LEU 52 Cb 0.34 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.09 1de1 h LEU 52 CO -0.01 0.15 0.02 0.74 0.09 0.00 0.00 178.44 179.43 1de1 h THR 53 N 0.57 0.85 -0.94 0.22 2.02 -1.23 0.20 112.91 114.59 1de1 h THR 53 Ca 0.53 -0.03 -0.01 0.00 0.77 0.00 0.00 66.41 67.67 1de1 h THR 53 Cb 0.88 0.74 -0.05 0.00 -1.74 0.00 0.00 68.15 67.99 1de1 h THR 53 CO -0.43 0.02 0.56 0.11 0.37 0.00 0.00 175.52 176.15 1de1 h LYS 54 N 0.10 1.29 -0.15 6.66 1.57 -0.72 -2.66 116.57 122.65 1de1 h LYS 54 Ca 0.11 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1de1 h LYS 54 Cb 0.13 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 1de1 h LYS 54 CO -0.18 0.91 0.10 -0.07 -0.57 0.00 0.00 179.45 179.64 1de1 h LEU 55 N 1.30 0.18 0.00 2.94 3.38 -0.37 -3.44 115.31 119.29 1de1 h LEU 55 Ca 0.34 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.30 1de1 h LEU 55 Cb -0.04 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1de1 h LEU 55 CO -0.06 0.13 0.00 0.61 0.09 0.00 0.00 178.44 179.21 1de1 n GLY 56 N -1.12 -0.42 2.05 0.83 0.00 -0.02 -4.93 105.19 101.59 1de1 n GLY 56 Ca -0.04 -1.40 -0.23 0.00 0.00 0.00 0.00 46.02 44.35 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 2.15 0.00 1.61 1.74 -1.26 -4.29 116.66 116.61 1de1 n ARG 57 Ca 0.00 -2.45 0.00 0.00 -0.77 0.00 0.00 57.85 54.63 1de1 n ARG 57 Cb 0.00 -1.96 0.00 0.00 -1.02 0.00 0.00 32.46 29.48 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 -0.56 0.00 -4.62 0.55 8.00 -1.26 -5.17 116.55 113.48 1de1 n ASP 58 Ca 0.48 0.00 -0.28 0.00 0.71 0.00 0.00 54.79 55.70 1de1 n ASP 58 Cb 0.99 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 41.99 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 2.50 1.86 -0.66 -3.53 -1.32 -1.26 -5.02 115.64 108.22 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 -2.90 -0.03 0.00 -1.51 0.00 0.00 72.50 68.06 1de1 s THR 59 CO 0.00 0.00 1.91 0.00 -2.21 0.00 0.00 174.62 174.32 1de1 s GLN 60 N -3.74 2.57 -1.21 7.08 0.00 -1.26 -4.88 119.66 118.23 1de1 s GLN 60 Ca 0.32 0.50 -0.21 0.00 -0.00 0.00 0.00 55.36 55.97 1de1 s GLN 60 Cb 0.09 -4.52 -0.04 0.00 0.00 0.00 0.00 33.01 28.55 1de1 s GLN 60 CO 0.16 -2.89 1.88 1.51 0.00 0.00 0.00 175.29 175.95 1de1 n ILE 61 N 7.38 2.65 -1.96 3.63 3.06 -1.26 -4.30 119.36 128.56 1de1 n ILE 61 Ca 0.25 -2.73 -0.03 0.00 -2.50 0.00 0.00 62.75 57.74 1de1 n ILE 61 Cb 0.51 -2.25 -0.01 0.00 0.54 0.00 0.00 39.64 38.43 1de1 n ILE 61 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1de1 n GLY 62 N 5.53 -0.20 3.71 4.50 0.00 -1.26 -4.83 105.19 112.64 1de1 n GLY 62 Ca 0.47 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.09 1de1 n GLY 62 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1de1 n LEU 63 N -2.07 4.45 -4.69 0.99 -0.00 -1.26 -5.01 117.00 109.42 1de1 n LEU 63 Ca -0.04 1.05 -0.25 0.00 -0.00 0.00 0.00 56.01 56.77 1de1 n LEU 63 Cb 0.37 -1.52 -0.07 0.00 -0.00 0.00 0.00 43.42 42.20 1de1 n LEU 63 CO 0.05 -0.71 -0.30 0.42 -0.00 0.00 0.00 177.39 176.84 1de1 s THR 64 N -1.25 3.79 0.12 1.96 -4.23 -1.26 -5.13 115.64 109.64 1de1 s THR 64 Ca 0.65 -1.54 0.04 0.00 -1.18 0.00 0.00 61.69 59.66 1de1 s THR 64 Cb -0.47 -2.96 -0.04 0.00 1.34 0.00 0.00 72.50 70.37 1de1 s THR 64 CO 0.55 -0.22 0.12 -0.04 -0.54 0.00 0.00 174.62 174.48 1de1 s MET 65 N -3.29 2.92 0.28 3.99 1.00 -1.26 -3.95 119.30 118.99 1de1 s MET 65 Ca 0.30 -0.77 -0.24 0.00 0.00 0.00 0.00 55.69 54.98 1de1 s MET 65 Cb -0.08 -2.70 -0.09 0.00 0.00 0.00 0.00 34.83 31.95 1de1 s MET 65 CO 0.20 0.53 0.85 -2.14 0.00 0.00 0.00 175.02 174.46 1de1 s PRO 66 N -2.75 4.46 -0.17 2.03 0.02 -1.26 -4.88 135.00 132.45 1de1 s PRO 66 Ca 0.30 1.14 -0.11 0.00 0.02 0.00 0.00 61.00 62.36 1de1 s PRO 66 Cb -0.11 -2.85 -0.05 0.00 0.02 0.00 0.00 34.50 31.52 1de1 s PRO 66 CO 0.23 0.33 0.19 -0.65 -0.33 0.00 0.00 177.00 176.77 1de1 s GLN 67 N -1.99 4.06 0.20 5.54 1.11 0.37 -4.32 119.66 124.62 1de1 s GLN 67 Ca 0.47 -0.09 0.05 0.00 0.01 0.00 0.00 55.36 55.80 1de1 s GLN 67 Cb -0.18 -3.37 -0.04 0.00 -1.01 0.00 0.00 33.01 28.41 1de1 s GLN 67 CO 0.23 0.38 0.20 0.08 0.01 0.00 0.00 175.29 176.19 1de1 s VAL 68 N 0.08 4.69 -0.05 1.09 1.01 0.26 0.13 120.40 127.61 1de1 s VAL 68 Ca 0.12 -1.11 -0.04 0.00 0.00 0.00 0.00 61.98 60.95 1de1 s VAL 68 Cb -0.12 -3.46 0.02 0.00 0.00 0.00 0.00 36.38 32.82 1de1 s VAL 68 CO 0.01 -0.20 0.13 -0.36 0.00 0.00 0.00 175.10 174.68 1de1 s PHE 69 N -1.89 -0.15 0.68 5.22 0.08 0.32 -2.61 117.98 119.63 1de1 s PHE 69 Ca 0.32 0.37 -0.17 0.00 0.12 0.00 0.00 56.93 57.57 1de1 s PHE 69 Cb -0.09 0.04 -0.03 0.00 -0.57 0.00 0.00 43.02 42.36 1de1 s PHE 69 CO 0.25 -0.08 0.74 0.00 -0.10 0.00 0.00 175.22 176.04 1de1 n ALA 70 N 3.11 -0.78 0.56 5.36 0.00 0.32 -0.09 120.51 128.99 1de1 n ALA 70 Ca -0.14 -0.16 0.07 0.00 0.00 0.00 0.00 53.44 53.22 1de1 n ALA 70 Cb 0.58 -1.98 0.33 0.00 0.00 0.00 0.00 19.45 18.39 1de1 n ALA 70 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1de1 n PRO 71 N -1.07 0.05 -0.00 0.00 -0.02 -1.16 -2.36 135.00 130.44 1de1 n PRO 71 Ca 0.12 0.22 0.07 0.00 -2.02 0.00 0.00 63.50 61.89 1de1 n PRO 71 Cb 0.49 -1.50 -0.10 0.00 -0.02 0.00 0.00 33.50 32.37 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 -1.45 1.61 0.00 2.55 8.00 -1.26 -4.76 116.55 121.24 1de1 n ASP 72 Ca 0.04 -0.19 0.00 0.00 0.71 0.00 0.00 54.79 55.36 1de1 n ASP 72 Cb 0.16 1.48 0.00 0.00 -0.02 0.00 0.00 41.12 42.74 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 1.64 1.63 0.00 0.44 0.00 -0.99 -5.18 105.19 102.72 1de1 n GLY 73 Ca -0.01 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.39 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 0.00 -4.56 1.61 2.88 -1.26 -4.87 113.62 107.42 1de1 n SER 74 Ca 0.00 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.12 1de1 n SER 74 Cb 0.00 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.40 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 -2.00 3.11 -0.22 0.66 2.46 -1.26 0.12 115.29 118.16 1de1 s HIS 75 Ca 0.00 0.29 -0.18 0.00 0.47 0.00 0.00 55.06 55.65 1de1 s HIS 75 Cb 0.00 -3.27 -0.18 0.00 -0.13 0.00 0.00 32.58 29.00 1de1 s HIS 75 CO 0.00 -0.72 0.08 -0.89 -2.47 0.00 0.00 174.74 170.74 1de1 n ILE 76 N 5.72 1.56 0.00 0.89 5.41 -1.07 -4.91 119.36 126.95 1de1 n ILE 76 Ca -0.00 -0.19 0.00 0.00 1.00 0.00 0.00 62.75 63.56 1de1 n ILE 76 Cb 0.48 -1.95 0.00 0.00 -0.71 0.00 0.00 39.64 37.46 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 1.47 0.84 0.00 7.39 0.00 -1.20 -4.52 105.19 109.17 1de1 n GLY 77 Ca -0.38 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 43.87 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 1.34 0.00 -0.02 0.00 -1.26 0.90 105.19 106.15 1de1 n GLY 78 Ca 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.89 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 -0.02 1.61 7.35 -1.26 -2.15 117.46 122.99 1de1 n PHE 79 Ca 0.00 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 56.59 1de1 n PHE 79 Cb 0.00 -0.47 -0.04 0.00 0.35 0.00 0.00 39.48 39.32 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 0.14 -1.00 -2.13 1.82 -1.96 0.17 116.42 113.45 1de1 h ASP 80 Ca 0.00 0.00 0.19 0.00 -0.39 0.00 0.00 57.03 56.83 1de1 h ASP 80 Cb 0.00 -0.03 -0.10 0.00 0.68 0.00 0.00 39.33 39.88 1de1 h ASP 80 CO 0.00 0.10 0.61 -0.61 -1.61 0.00 0.00 179.24 177.74 1de1 h GLN 81 N 0.18 0.71 0.07 0.28 5.75 -1.92 0.25 115.11 120.43 1de1 h GLN 81 Ca 0.06 -0.04 -0.24 0.00 -0.15 0.00 0.00 58.65 58.27 1de1 h GLN 81 Cb -0.01 -0.16 -0.00 0.00 1.07 0.00 0.00 27.48 28.38 1de1 h GLN 81 CO -0.03 0.47 -1.09 1.25 -2.65 0.00 0.00 178.83 176.78 1de1 h LEU 82 N 0.73 0.34 -1.99 -2.39 6.46 -0.89 -3.16 115.31 114.42 1de1 h LEU 82 Ca 0.57 -0.33 0.27 0.00 -0.12 0.00 0.00 57.88 58.27 1de1 h LEU 82 Cb 0.93 -0.11 -0.04 0.00 -0.73 0.00 0.00 40.66 40.71 1de1 h LEU 82 CO -0.36 1.21 0.67 0.03 -0.62 0.00 0.00 178.44 179.38 1de1 h ARG 83 N 0.09 0.01 -0.29 1.25 3.08 0.15 1.59 114.38 120.25 1de1 h ARG 83 Ca -0.09 -0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.85 1de1 h ARG 83 Cb 1.80 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.83 1de1 h ARG 83 CO 0.17 0.01 -0.29 1.49 -1.07 0.00 0.00 179.97 180.28 1de1 h GLU 84 N 0.01 0.59 -0.33 0.04 4.57 -1.45 0.93 114.58 118.94 1de1 h GLU 84 Ca 0.45 -0.25 -0.04 0.00 -1.18 0.00 0.00 59.36 58.34 1de1 h GLU 84 Cb 1.78 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 30.33 1de1 h GLU 84 CO -0.01 0.81 0.05 -0.92 -1.18 0.00 0.00 179.01 177.76 1de1 h TYR 85 N 0.51 0.50 0.00 0.92 5.03 0.22 -2.09 116.97 122.06 1de1 h TYR 85 Ca 0.07 -0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.34 1de1 h TYR 85 Cb 0.76 -0.15 0.00 0.00 1.55 0.00 0.00 36.73 38.89 1de1 h TYR 85 CO 0.03 0.46 -0.99 1.19 -1.32 0.00 0.00 178.16 177.53 1de1 n PHE 86 N -4.33 0.94 -0.45 -3.82 3.72 -0.71 -5.14 117.46 107.67 1de1 n PHE 86 Ca 0.02 0.27 0.00 0.00 -0.05 0.00 0.00 57.45 57.69 1de1 n PHE 86 Cb 0.20 -0.94 0.00 0.00 -0.94 0.00 0.00 39.48 37.80 1de1 n PHE 86 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34