#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 3.76 -0.13 1.12 0.40 -0.19 -2.10 117.98 120.84 1de1 s PHE 2 Ca 0.00 1.46 0.01 0.00 -0.60 0.00 0.00 56.93 57.80 1de1 s PHE 2 Cb 0.00 -2.65 -0.00 0.00 0.51 0.00 0.00 43.02 40.87 1de1 s PHE 2 CO 0.00 0.43 -0.18 0.15 0.70 0.00 0.00 175.22 176.33 1de1 s LYS 3 N -1.58 3.20 -0.12 0.44 3.01 0.30 -1.72 119.74 123.27 1de1 s LYS 3 Ca 0.39 -0.78 -0.01 0.00 -1.01 0.00 0.00 55.97 54.56 1de1 s LYS 3 Cb -0.19 -2.53 -0.03 0.00 -1.01 0.00 0.00 37.83 34.08 1de1 s LYS 3 CO 0.22 0.10 -0.07 0.08 0.51 0.00 0.00 175.35 176.20 1de1 s VAL 4 N 0.58 3.62 -0.38 3.17 1.01 -1.07 1.00 120.40 128.33 1de1 s VAL 4 Ca -0.10 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 61.41 1de1 s VAL 4 Cb -0.16 -2.53 0.11 0.00 0.00 0.00 0.00 36.38 33.79 1de1 s VAL 4 CO 0.03 0.54 0.13 -0.31 0.00 0.00 0.00 175.10 175.50 1de1 s TYR 5 N -0.09 3.67 0.00 5.22 2.02 0.45 -1.54 117.35 127.09 1de1 s TYR 5 Ca 0.01 -2.70 0.00 0.00 -0.37 0.00 0.00 57.07 54.00 1de1 s TYR 5 Cb -0.13 -3.09 0.00 0.00 -0.40 0.00 0.00 41.96 38.34 1de1 s TYR 5 CO 0.03 -0.96 0.00 0.41 -1.57 0.00 0.00 175.55 173.46 1de1 n GLY 6 N 4.41 3.41 3.37 0.71 0.00 -0.97 0.53 105.19 116.66 1de1 n GLY 6 Ca 0.01 -0.11 -0.23 0.00 0.00 0.00 0.00 46.02 45.69 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 0.18 1.95 0.00 1.61 2.02 -1.26 0.44 117.35 122.29 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 0.41 0.37 -3.47 -1.57 0.00 0.00 175.55 171.29 1de1 n ASP 8 N 0.09 0.00 0.00 2.29 -0.08 -1.26 -4.98 116.55 112.61 1de1 n ASP 8 Ca -0.11 0.52 0.00 0.00 -1.51 0.00 0.00 54.79 53.68 1de1 n ASP 8 Cb 0.58 -0.28 0.00 0.00 2.34 0.00 0.00 41.12 43.76 1de1 n ASP 8 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1de1 n SER 9 N -1.34 0.00 0.15 1.67 2.88 -1.25 -4.96 113.62 110.77 1de1 n SER 9 Ca 0.00 0.00 0.10 0.00 -1.33 0.00 0.00 58.87 57.64 1de1 n SER 9 Cb 0.00 0.00 0.07 0.00 -0.75 0.00 0.00 64.21 63.53 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 0.21 -3.46 -1.24 -2.00 -3.35 115.58 105.74 1de1 h ASN 10 Ca 0.00 0.00 -0.35 0.00 0.71 0.00 0.00 56.30 56.66 1de1 h ASN 10 Cb 0.00 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.03 1de1 h ASN 10 CO 0.00 0.07 -1.90 0.40 -1.29 0.00 0.00 177.43 174.72 1de1 h ILE 11 N 0.00 0.73 -3.06 2.57 5.03 -1.94 -3.48 117.51 117.35 1de1 h ILE 11 Ca -0.01 -2.44 -0.11 0.00 -0.12 0.00 0.00 64.86 62.18 1de1 h ILE 11 Cb 1.06 2.54 -0.19 0.00 -3.03 0.00 0.00 36.82 37.21 1de1 h ILE 11 CO 0.01 0.83 -0.24 -2.28 -0.68 0.00 0.00 178.15 175.79 1de1 s HIS 12 N -2.57 -0.18 0.63 1.37 2.46 -1.25 -4.99 115.29 110.75 1de1 s HIS 12 Ca -0.18 0.22 -0.13 0.00 0.47 0.00 0.00 55.06 55.43 1de1 s HIS 12 Cb 0.07 0.12 -0.02 0.00 -0.13 0.00 0.00 32.58 32.61 1de1 s HIS 12 CO 0.79 -0.44 1.05 0.21 -2.47 0.00 0.00 174.74 173.88 1de1 s LYS 13 N -1.72 3.26 0.00 2.88 2.47 -1.26 -3.80 119.74 121.56 1de1 s LYS 13 Ca -0.11 1.03 0.00 0.00 -1.56 0.00 0.00 55.97 55.33 1de1 s LYS 13 Cb -0.04 -2.03 0.00 0.00 -1.46 0.00 0.00 37.83 34.30 1de1 s LYS 13 CO 0.02 -0.85 0.00 0.00 0.16 0.00 0.00 175.35 174.69 1de1 n VAL 15 N 0.00 1.75 0.85 0.00 0.24 -1.26 -4.06 118.33 115.85 1de1 n VAL 15 Ca 0.00 -0.67 0.13 0.00 -2.04 0.00 0.00 64.34 61.76 1de1 n VAL 15 Cb 0.00 -1.65 0.54 0.00 -1.47 0.00 0.00 33.84 31.25 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 -3.43 0.14 -0.02 6.34 0.18 -1.26 -3.35 117.16 115.76 1de1 n TYR 16 Ca -0.31 0.04 -0.17 0.00 1.88 0.00 0.00 57.90 59.34 1de1 n TYR 16 Cb 1.05 -0.57 -0.08 0.00 -0.38 0.00 0.00 39.34 39.35 1de1 n TYR 16 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1de1 h ASP 18 N 0.32 0.41 -0.22 0.00 3.58 -1.74 -3.00 116.42 115.77 1de1 h ASP 18 Ca -0.05 -0.20 -0.03 0.00 0.42 0.00 0.00 57.03 57.17 1de1 h ASP 18 Cb 1.32 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 42.24 1de1 h ASP 18 CO 0.14 0.84 0.04 0.78 -2.88 0.00 0.00 179.24 178.16 1de1 h ASN 19 N 0.30 0.35 -0.13 2.28 2.35 -1.56 -2.63 115.58 116.55 1de1 h ASN 19 Ca 0.01 -0.25 0.03 0.00 -0.55 0.00 0.00 56.30 55.54 1de1 h ASN 19 Cb 0.99 -0.09 -0.03 0.00 0.05 0.00 0.00 38.32 39.24 1de1 h ASN 19 CO 0.09 0.52 -0.06 0.00 -1.65 0.00 0.00 177.43 176.32 1de1 h ALA 20 N 0.85 0.05 -0.73 -0.83 0.00 -1.44 -1.84 119.26 115.32 1de1 h ALA 20 Ca 0.07 0.05 0.12 0.00 0.00 0.00 0.00 54.91 55.15 1de1 h ALA 20 Cb 0.31 0.14 -0.08 0.00 0.00 0.00 0.00 17.79 18.16 1de1 h ALA 20 CO 0.00 -0.51 0.33 -0.22 0.00 0.00 0.00 179.25 178.86 1de1 h LYS 21 N -0.05 0.52 -0.89 0.00 3.64 -1.49 -0.65 116.57 117.65 1de1 h LYS 21 Ca 0.07 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1de1 h LYS 21 Cb 0.15 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 31.81 1de1 h LYS 21 CO -0.16 0.34 0.56 0.00 -2.27 0.00 0.00 179.45 177.93 1de1 h ARG 22 N 0.53 1.20 0.17 1.90 2.47 -1.03 -1.76 114.38 117.86 1de1 h ARG 22 Ca 0.38 -0.09 0.00 0.00 -1.26 0.00 0.00 59.98 59.02 1de1 h ARG 22 Cb 0.49 -0.26 -0.02 0.00 -1.65 0.00 0.00 29.97 28.54 1de1 h ARG 22 CO -0.33 0.82 -0.17 1.25 0.56 0.00 0.00 179.97 182.09 1de1 h LEU 23 N 1.22 -0.47 -0.38 3.04 6.46 -0.33 -1.26 115.31 123.59 1de1 h LEU 23 Ca 0.32 0.05 0.05 0.00 -0.12 0.00 0.00 57.88 58.18 1de1 h LEU 23 Cb -0.09 0.16 -0.04 0.00 -0.73 0.00 0.00 40.66 39.96 1de1 h LEU 23 CO -0.07 -0.26 0.13 -0.07 -0.62 0.00 0.00 178.44 177.55 1de1 h LEU 24 N -0.38 0.13 -1.35 2.25 3.38 -1.17 0.36 115.31 118.52 1de1 h LEU 24 Ca 0.00 0.04 0.12 0.00 0.09 0.00 0.00 57.88 58.14 1de1 h LEU 24 Cb 0.36 0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.08 1de1 h LEU 24 CO -0.05 0.11 0.54 0.74 0.09 0.00 0.00 178.44 179.87 1de1 h THR 25 N 0.28 0.89 0.00 0.22 2.02 -1.05 0.38 112.91 115.65 1de1 h THR 25 Ca 0.18 -0.23 -0.16 0.00 0.77 0.00 0.00 66.41 66.97 1de1 h THR 25 Cb 0.16 0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 66.70 1de1 h THR 25 CO -0.18 0.12 -0.74 0.58 0.37 0.00 0.00 175.52 175.67 1de1 h VAL 26 N 0.68 1.35 0.00 3.16 2.07 0.05 -3.16 116.25 120.40 1de1 h VAL 26 Ca 0.40 -2.70 -0.03 0.00 0.82 0.00 0.00 66.70 65.19 1de1 h VAL 26 Cb 0.60 2.53 -0.00 0.00 -1.52 0.00 0.00 31.29 32.90 1de1 h VAL 26 CO -0.16 0.72 -0.12 0.11 0.02 0.00 0.00 177.57 178.14 1de1 h LYS 27 N 0.00 0.00 -4.01 1.57 6.56 0.25 -3.48 116.57 117.45 1de1 h LYS 27 Ca -0.01 0.00 -0.07 0.00 -1.06 0.00 0.00 60.65 59.52 1de1 h LYS 27 Cb 1.48 0.00 0.05 0.00 -0.57 0.00 0.00 32.23 33.19 1de1 h LYS 27 CO 0.10 0.12 -0.23 1.63 -2.06 0.00 0.00 179.45 179.01 1de1 n LYS 28 N -3.13 -0.80 -4.37 3.15 5.02 0.10 -5.06 118.16 113.06 1de1 n LYS 28 Ca 0.03 0.56 -0.19 0.00 -2.02 0.00 0.00 58.31 56.69 1de1 n LYS 28 Cb 0.57 -3.30 -0.14 0.00 -0.02 0.00 0.00 35.03 32.14 1de1 n LYS 28 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1de1 s GLN 29 N -3.38 0.82 -0.07 1.97 1.11 -1.20 -5.07 119.66 113.84 1de1 s GLN 29 Ca 0.12 -0.49 -0.30 0.00 0.01 0.00 0.00 55.36 54.70 1de1 s GLN 29 Cb -0.02 -0.79 -0.03 0.00 -1.01 0.00 0.00 33.01 31.17 1de1 s GLN 29 CO 0.31 0.21 1.20 -1.25 0.01 0.00 0.00 175.29 175.77 1de1 s PRO 30 N -0.58 4.34 0.20 2.91 0.04 -1.26 -4.81 135.00 135.84 1de1 s PRO 30 Ca 0.02 1.66 -0.19 0.00 0.04 0.00 0.00 61.00 62.53 1de1 s PRO 30 Cb -0.05 -3.58 0.03 0.00 0.04 0.00 0.00 34.50 30.94 1de1 s PRO 30 CO 0.00 -0.48 0.57 -0.59 0.04 0.00 0.00 177.00 176.54 1de1 s PHE 31 N 2.39 -0.21 -0.04 0.56 -0.12 -1.26 -1.02 117.98 118.28 1de1 s PHE 31 Ca 0.55 -0.12 -0.06 0.00 -0.05 0.00 0.00 56.93 57.25 1de1 s PHE 31 Cb -0.24 0.47 0.01 0.00 -0.63 0.00 0.00 43.02 42.63 1de1 s PHE 31 CO 0.21 -0.95 0.15 -1.21 -0.05 0.00 0.00 175.22 173.37 1de1 s GLU 32 N -3.86 0.31 0.31 1.99 0.41 -0.70 -4.90 118.70 112.27 1de1 s GLU 32 Ca 0.08 -0.03 -0.09 0.00 -0.41 0.00 0.00 54.97 54.52 1de1 s GLU 32 Cb -0.02 0.14 -0.07 0.00 -1.78 0.00 0.00 34.13 32.40 1de1 s GLU 32 CO -0.03 -0.06 0.64 0.12 -0.49 0.00 0.00 175.26 175.44 1de1 s PHE 33 N -0.51 3.45 -0.09 1.61 5.36 -1.26 -2.60 117.98 123.93 1de1 s PHE 33 Ca -0.06 0.90 -0.04 0.00 -0.96 0.00 0.00 56.93 56.78 1de1 s PHE 33 Cb -0.04 -2.31 0.05 0.00 -0.34 0.00 0.00 43.02 40.39 1de1 s PHE 33 CO 0.01 0.11 0.18 0.42 -1.46 0.00 0.00 175.22 174.47 1de1 s ILE 34 N -2.08 -0.28 -0.39 3.12 1.01 -0.59 -4.90 121.20 117.09 1de1 s ILE 34 Ca 0.48 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 0.00 0.00 0.01 0.00 0.00 42.46 42.04 1de1 s ILE 34 CO 0.26 0.13 1.53 0.54 0.00 0.00 0.00 174.94 177.40 1de1 s ASN 35 N 2.31 6.20 0.45 3.58 2.20 -1.26 -2.28 114.94 126.14 1de1 s ASN 35 Ca 0.03 0.96 0.23 0.00 -0.94 0.00 0.00 52.86 53.14 1de1 s ASN 35 Cb -0.12 -2.54 1.00 0.00 -2.00 0.00 0.00 41.25 37.59 1de1 s ASN 35 CO -0.06 -1.52 1.87 0.16 -2.94 0.00 0.00 177.10 174.61 1de1 h ILE 36 N 6.57 0.65 -3.15 0.54 -0.00 -0.34 -3.37 117.51 118.40 1de1 h ILE 36 Ca -0.29 -1.06 -0.62 0.00 -0.00 0.00 0.00 64.86 62.89 1de1 h ILE 36 Cb 1.12 1.69 -0.40 0.00 -0.00 0.00 0.00 36.82 39.23 1de1 h ILE 36 CO 1.07 0.23 -0.71 -0.32 -0.00 0.00 0.00 178.15 178.42 1de1 s MET 37 N -3.80 1.43 0.00 0.16 0.00 -1.26 -0.48 119.30 115.36 1de1 s MET 37 Ca -0.01 -2.08 0.30 0.00 0.00 0.00 0.00 55.69 53.90 1de1 s MET 37 Cb 0.11 -2.62 1.74 0.00 0.00 0.00 0.00 34.83 34.06 1de1 s MET 37 CO 0.64 -1.12 2.12 -0.35 0.00 0.00 0.00 175.02 176.31 1de1 n PRO 38 N 3.59 1.05 -3.88 4.11 -0.04 -1.26 -4.77 135.00 133.80 1de1 n PRO 38 Ca 0.06 -0.07 -0.13 0.00 -0.04 0.00 0.00 63.50 63.33 1de1 n PRO 38 Cb 0.35 -1.47 -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 -2.00 -0.04 0.00 0.00 175.50 173.46 1de1 s GLU 39 N -2.00 0.03 0.00 0.54 2.12 -1.26 -5.01 118.70 113.12 1de1 s GLU 39 Ca 0.45 0.01 0.09 0.00 0.36 0.00 0.00 54.97 55.88 1de1 s GLU 39 Cb 0.21 -0.07 0.42 0.00 0.26 0.00 0.00 34.13 34.94 1de1 s GLU 39 CO 0.35 -0.02 1.26 1.63 -0.54 0.00 0.00 175.26 177.94 1de1 n LYS 40 N 3.24 0.04 -0.04 4.30 5.02 -1.26 -3.23 118.16 126.24 1de1 n LYS 40 Ca -0.15 0.30 -0.01 0.00 -2.02 0.00 0.00 58.31 56.43 1de1 n LYS 40 Cb 0.58 -1.50 -0.00 0.00 -0.02 0.00 0.00 35.03 34.09 1de1 n LYS 40 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1de1 h GLY 41 N 1.57 0.00 -5.29 0.72 0.00 -1.97 -3.49 103.07 94.61 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 -0.29 0.14 0.00 0.00 0.00 176.54 176.39 1de1 s VAL 42 N -1.52 -0.00 1.17 4.60 1.01 -1.20 -5.16 120.40 119.30 1de1 s VAL 42 Ca -0.04 0.01 -0.14 0.00 0.00 0.00 0.00 61.98 61.81 1de1 s VAL 42 Cb 0.01 -0.52 0.27 0.00 0.00 0.00 0.00 36.38 36.13 1de1 s VAL 42 CO 0.06 0.00 0.87 2.22 0.00 0.00 0.00 175.10 178.25 1de1 n PHE 43 N 2.96 -1.31 -2.58 5.22 1.16 -1.26 -4.32 117.46 117.32 1de1 n PHE 43 Ca -0.14 -0.12 -0.42 0.00 -1.87 0.00 0.00 57.45 54.90 1de1 n PHE 43 Cb 0.57 -1.68 -0.02 0.00 -1.61 0.00 0.00 39.48 36.74 1de1 n PHE 43 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 1de1 s ASP 44 N -2.32 6.43 0.51 5.98 -1.08 0.36 -4.88 116.67 121.69 1de1 s ASP 44 Ca 0.67 0.08 0.34 0.00 -0.52 0.00 0.00 52.55 53.12 1de1 s ASP 44 Cb -0.24 -2.55 1.86 0.00 -1.46 0.00 0.00 42.92 40.53 1de1 s ASP 44 CO 0.65 -1.50 2.05 -0.78 0.52 0.00 0.00 175.17 176.11 1de1 h ASP 45 N 9.56 0.00 0.57 -0.34 1.82 -1.90 -2.36 116.42 123.78 1de1 h ASP 45 Ca -0.25 0.00 -0.03 0.00 -0.39 0.00 0.00 57.03 56.36 1de1 h ASP 45 Cb 1.06 0.00 0.01 0.00 0.68 0.00 0.00 39.33 41.07 1de1 h ASP 45 CO 1.19 0.00 -0.27 -0.33 -1.61 0.00 0.00 179.24 178.22 1de1 h GLU 46 N 0.00 -0.73 -0.41 0.28 5.08 -1.96 0.17 114.58 117.01 1de1 h GLU 46 Ca 0.00 0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.33 1de1 h GLU 46 Cb 0.01 0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 1de1 h GLU 46 CO 0.00 -0.49 -0.06 1.57 -1.00 0.00 0.00 179.01 179.03 1de1 h LYS 47 N -1.08 0.69 0.00 2.33 2.10 -1.90 -2.45 116.57 116.26 1de1 h LYS 47 Ca -0.08 -0.20 -0.11 0.00 -2.00 0.00 0.00 60.65 58.27 1de1 h LYS 47 Cb 0.58 -0.07 -0.02 0.00 -0.90 0.00 0.00 32.23 31.82 1de1 h LYS 47 CO 0.13 0.75 -0.52 0.82 -2.00 0.00 0.00 179.45 178.63 1de1 h ILE 48 N 0.64 1.36 0.44 0.07 5.03 -1.49 -2.51 117.51 121.05 1de1 h ILE 48 Ca 0.12 -1.78 -0.02 0.00 -0.12 0.00 0.00 64.86 63.06 1de1 h ILE 48 Cb 0.49 1.96 0.00 0.00 -3.03 0.00 0.00 36.82 36.25 1de1 h ILE 48 CO 0.03 0.51 -0.21 0.00 -0.68 0.00 0.00 178.15 177.79 1de1 h ALA 49 N 1.48 -0.59 -0.44 1.87 0.00 -0.16 -2.11 119.26 119.32 1de1 h ALA 49 Ca -0.01 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1de1 h ALA 49 Cb 0.92 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 1de1 h ALA 49 CO 0.07 -0.79 0.26 1.49 0.00 0.00 0.00 179.25 180.28 1de1 h GLU 50 N -0.67 0.59 -0.12 0.00 4.81 -1.51 -2.46 114.58 115.22 1de1 h GLU 50 Ca -0.06 -0.05 0.03 0.00 -0.13 0.00 0.00 59.36 59.16 1de1 h GLU 50 Cb 0.50 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.71 1de1 h GLU 50 CO 0.10 0.42 -0.10 1.25 -0.73 0.00 0.00 179.01 179.94 1de1 h LEU 51 N 0.60 -0.33 -0.49 1.64 6.46 -1.10 0.19 115.31 122.29 1de1 h LEU 51 Ca 0.16 0.07 0.08 0.00 -0.12 0.00 0.00 57.88 58.07 1de1 h LEU 51 Cb -0.02 0.16 -0.07 0.00 -0.73 0.00 0.00 40.66 40.01 1de1 h LEU 51 CO -0.03 -0.14 0.12 -0.07 -0.62 0.00 0.00 178.44 177.70 1de1 h LEU 52 N -0.12 0.05 -0.41 2.25 3.38 -0.91 -0.40 115.31 119.14 1de1 h LEU 52 Ca 0.08 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 1de1 h LEU 52 Cb 0.24 0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1de1 h LEU 52 CO -0.19 0.05 0.19 0.74 0.09 0.00 0.00 178.44 179.32 1de1 h THR 53 N 0.26 1.18 -0.95 0.22 2.02 -1.24 -2.50 112.91 111.90 1de1 h THR 53 Ca 0.25 -0.52 0.08 0.00 0.77 0.00 0.00 66.41 66.98 1de1 h THR 53 Cb 0.31 0.76 -0.07 0.00 -1.74 0.00 0.00 68.15 67.42 1de1 h THR 53 CO -0.30 0.20 0.60 0.11 0.37 0.00 0.00 175.52 176.49 1de1 h LYS 54 N 0.52 1.02 -0.22 6.66 1.57 0.17 -2.05 116.57 124.25 1de1 h LYS 54 Ca 0.14 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1de1 h LYS 54 Cb 0.13 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 1de1 h LYS 54 CO -0.02 0.68 0.14 -0.07 -0.57 0.00 0.00 179.45 179.61 1de1 h LEU 55 N 1.05 0.24 0.00 2.94 3.38 -0.73 -3.44 115.31 118.75 1de1 h LEU 55 Ca 0.43 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.39 1de1 h LEU 55 Cb 0.25 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1de1 h LEU 55 CO -0.20 0.18 0.00 0.61 0.09 0.00 0.00 178.44 179.12 1de1 n GLY 56 N -1.15 -0.74 1.79 0.83 0.00 -0.77 -4.97 105.19 100.18 1de1 n GLY 56 Ca -0.03 0.43 -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 0.56 0.00 1.61 1.74 -1.26 -4.53 116.66 114.78 1de1 n ARG 57 Ca 0.00 -1.79 0.00 0.00 -0.77 0.00 0.00 57.85 55.29 1de1 n ARG 57 Cb 0.00 -0.04 0.00 0.00 -1.02 0.00 0.00 32.46 31.40 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 -0.24 0.00 -4.66 0.55 8.00 -1.26 -5.15 116.55 113.78 1de1 n ASP 58 Ca -0.10 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.11 1de1 n ASP 58 Cb 0.89 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.89 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 2.56 1.68 -0.62 -3.53 -1.32 -1.26 -4.99 115.64 108.16 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 -2.70 -0.04 0.00 -1.51 0.00 0.00 72.50 68.25 1de1 s THR 59 CO 0.00 0.00 2.01 0.00 -2.21 0.00 0.00 174.62 174.42 1de1 s GLN 60 N -3.77 2.46 -1.22 7.08 -2.07 -1.26 -4.87 119.66 116.01 1de1 s GLN 60 Ca 0.25 0.69 -0.20 0.00 -1.82 0.00 0.00 55.36 54.28 1de1 s GLN 60 Cb 0.07 -4.52 -0.02 0.00 -1.09 0.00 0.00 33.01 27.46 1de1 s GLN 60 CO 0.13 -2.99 1.87 -0.89 -1.32 0.00 0.00 175.29 172.09 1de1 n ILE 61 N 7.51 2.92 -2.05 3.63 5.41 -1.26 -4.36 119.36 131.17 1de1 n ILE 61 Ca 0.27 -2.97 -0.03 0.00 1.00 0.00 0.00 62.75 61.03 1de1 n ILE 61 Cb 0.52 -2.29 -0.00 0.00 -0.71 0.00 0.00 39.64 37.15 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 -0.26 3.76 7.39 0.00 -1.26 -4.85 105.19 115.34 1de1 n GLY 62 Ca 0.48 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 1.08 0.00 0.00 0.00 173.32 174.40 1de1 s LEU 63 N -4.27 4.53 0.43 0.99 2.01 -1.26 -5.05 118.68 116.06 1de1 s LEU 63 Ca 0.00 2.33 0.08 0.00 0.01 0.00 0.00 54.13 56.55 1de1 s LEU 63 Cb 0.00 -3.63 -0.01 0.00 0.01 0.00 0.00 46.19 42.56 1de1 s LEU 63 CO 0.00 -0.20 0.40 0.42 1.01 0.00 0.00 176.35 177.98 1de1 s THR 64 N -1.13 2.61 0.19 5.49 -4.23 -1.26 -5.11 115.64 112.20 1de1 s THR 64 Ca 0.45 -1.32 0.07 0.00 -1.18 0.00 0.00 61.69 59.71 1de1 s THR 64 Cb -0.33 -2.93 -0.04 0.00 1.34 0.00 0.00 72.50 70.54 1de1 s THR 64 CO 0.43 0.00 0.09 -0.04 -0.54 0.00 0.00 174.62 174.56 1de1 s MET 65 N -4.17 2.68 0.23 3.99 1.00 -1.26 -4.13 119.30 117.64 1de1 s MET 65 Ca 0.48 -1.04 -0.23 0.00 0.00 0.00 0.00 55.69 54.91 1de1 s MET 65 Cb -0.04 -2.49 -0.08 0.00 0.00 0.00 0.00 34.83 32.22 1de1 s MET 65 CO 0.28 0.45 0.78 -2.14 0.00 0.00 0.00 175.02 174.39 1de1 s PRO 66 N -3.25 4.41 -0.14 2.03 0.02 -1.26 -4.98 135.00 131.83 1de1 s PRO 66 Ca 0.30 1.04 -0.13 0.00 0.02 0.00 0.00 61.00 62.24 1de1 s PRO 66 Cb -0.09 -2.97 -0.05 0.00 0.02 0.00 0.00 34.50 31.41 1de1 s PRO 66 CO 0.22 0.42 0.29 -0.65 -0.33 0.00 0.00 177.00 176.94 1de1 s GLN 67 N -1.76 4.13 0.29 5.54 -0.21 0.19 -4.60 119.66 123.24 1de1 s GLN 67 Ca 0.42 0.10 0.06 0.00 0.02 0.00 0.00 55.36 55.97 1de1 s GLN 67 Cb -0.19 -3.38 -0.02 0.00 1.00 0.00 0.00 33.01 30.42 1de1 s GLN 67 CO 0.23 0.35 0.34 0.08 -2.12 0.00 0.00 175.29 174.17 1de1 s VAL 68 N 0.13 4.40 -0.05 1.09 1.01 -1.08 0.17 120.40 126.07 1de1 s VAL 68 Ca 0.17 -1.16 -0.02 0.00 0.00 0.00 0.00 61.98 60.97 1de1 s VAL 68 Cb -0.13 -3.50 0.03 0.00 0.00 0.00 0.00 36.38 32.78 1de1 s VAL 68 CO 0.05 -0.25 0.10 -0.36 0.00 0.00 0.00 175.10 174.64 1de1 s PHE 69 N -2.13 -0.09 0.52 5.22 0.08 0.28 -2.40 117.98 119.46 1de1 s PHE 69 Ca 0.38 0.34 -0.21 0.00 0.12 0.00 0.00 56.93 57.56 1de1 s PHE 69 Cb -0.08 -0.13 -0.06 0.00 -0.57 0.00 0.00 43.02 42.19 1de1 s PHE 69 CO 0.28 -0.13 1.23 0.00 -0.10 0.00 0.00 175.22 176.51 1de1 s ALA 70 N 1.05 2.80 0.36 5.36 0.00 0.64 -0.54 121.76 131.43 1de1 s ALA 70 Ca -0.08 1.07 0.17 0.00 0.00 0.00 0.00 51.96 53.12 1de1 s ALA 70 Cb -0.11 -3.46 1.13 0.00 0.00 0.00 0.00 23.12 20.68 1de1 s ALA 70 CO -0.04 -1.01 1.68 -1.35 0.00 0.00 0.00 175.76 175.03 1de1 h PRO 71 N 1.53 0.32 -0.24 0.00 0.11 -1.77 0.24 132.00 132.19 1de1 h PRO 71 Ca -0.50 -0.02 -0.19 0.00 0.11 0.00 0.00 66.00 65.40 1de1 h PRO 71 Cb 1.28 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1de1 h PRO 71 CO 0.58 0.21 -0.59 -0.44 -0.21 0.00 0.00 178.00 177.55 1de1 h ASP 72 N 0.32 0.87 0.00 -2.05 5.19 -1.91 -3.40 116.42 115.45 1de1 h ASP 72 Ca 0.72 -0.49 0.00 0.00 -0.62 0.00 0.00 57.03 56.64 1de1 h ASP 72 Cb 1.75 -0.25 0.00 0.00 0.18 0.00 0.00 39.33 41.01 1de1 h ASP 72 CO -0.51 1.26 0.00 0.61 -3.12 0.00 0.00 179.24 177.48 1de1 n GLY 73 N 0.40 0.63 3.56 2.75 0.00 0.85 -5.16 105.19 108.21 1de1 n GLY 73 Ca -0.04 -0.41 -0.14 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.54 -0.51 1.61 0.01 -1.25 -4.91 113.70 108.12 1de1 s SER 74 Ca 0.00 0.67 -0.28 0.00 1.31 0.00 0.00 55.95 57.65 1de1 s SER 74 Cb 0.00 0.56 0.01 0.00 0.21 0.00 0.00 66.02 66.80 1de1 s SER 74 CO 0.00 -0.44 1.41 -2.28 0.41 0.00 0.00 173.24 172.34 1de1 s HIS 75 N -0.90 2.34 -0.08 2.43 2.46 -1.26 -0.26 115.29 120.01 1de1 s HIS 75 Ca -0.05 0.56 -0.27 0.00 0.47 0.00 0.00 55.06 55.77 1de1 s HIS 75 Cb -0.01 -4.36 -0.22 0.00 -0.13 0.00 0.00 32.58 27.85 1de1 s HIS 75 CO 0.05 -1.95 0.99 0.82 -2.47 0.00 0.00 174.74 172.18 1de1 h ILE 76 N 6.41 1.52 0.00 0.89 2.04 -1.83 -3.48 117.51 123.06 1de1 h ILE 76 Ca -0.27 -1.69 0.00 0.00 1.00 0.00 0.00 64.86 63.90 1de1 h ILE 76 Cb 1.10 2.65 0.00 0.00 -0.74 0.00 0.00 36.82 39.82 1de1 h ILE 76 CO 1.14 0.43 0.00 0.61 0.00 0.00 0.00 178.15 180.33 1de1 n GLY 77 N 0.91 0.62 0.00 5.37 0.00 -1.26 -4.47 105.19 106.36 1de1 n GLY 77 Ca -0.09 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 44.06 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 1.30 0.00 -0.02 0.00 -1.26 -2.63 105.19 102.58 1de1 n GLY 78 Ca 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.96 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 -0.34 1.61 7.35 -1.26 -1.98 117.46 122.84 1de1 n PHE 79 Ca 0.00 0.00 0.01 0.00 -0.76 0.00 0.00 57.45 56.70 1de1 n PHE 79 Cb 0.00 -0.46 0.15 0.00 0.35 0.00 0.00 39.48 39.52 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 0.94 -0.88 -2.13 1.82 -1.99 -0.15 116.42 114.04 1de1 h ASP 80 Ca 0.00 0.01 0.04 0.00 -0.39 0.00 0.00 57.03 56.69 1de1 h ASP 80 Cb 0.00 -0.19 -0.05 0.00 0.68 0.00 0.00 39.33 39.77 1de1 h ASP 80 CO 0.00 0.61 0.57 -0.61 -1.61 0.00 0.00 179.24 178.20 1de1 h GLN 81 N 1.08 1.04 -0.03 0.28 5.75 -1.90 -2.52 115.11 118.81 1de1 h GLN 81 Ca 0.40 -0.06 -0.22 0.00 -0.15 0.00 0.00 58.65 58.62 1de1 h GLN 81 Cb 0.14 -0.24 0.02 0.00 1.07 0.00 0.00 27.48 28.48 1de1 h GLN 81 CO -0.17 0.69 -0.83 1.25 -2.65 0.00 0.00 178.83 177.13 1de1 h LEU 82 N 1.08 0.78 -1.97 -2.39 6.46 -0.60 -3.07 115.31 115.60 1de1 h LEU 82 Ca 0.35 -0.72 0.25 0.00 -0.12 0.00 0.00 57.88 57.64 1de1 h LEU 82 Cb 0.05 -0.24 -0.04 0.00 -0.73 0.00 0.00 40.66 39.71 1de1 h LEU 82 CO -0.11 1.39 0.63 0.03 -0.62 0.00 0.00 178.44 179.77 1de1 h ARG 83 N 0.24 0.03 -0.20 1.25 3.08 -0.66 1.33 114.38 119.44 1de1 h ARG 83 Ca -0.10 -0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.80 1de1 h ARG 83 Cb 1.50 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.53 1de1 h ARG 83 CO 0.16 0.02 -0.52 0.93 -1.07 0.00 0.00 179.97 179.49 1de1 h GLU 84 N 0.03 0.56 -0.25 0.04 5.08 -1.38 0.36 114.58 119.02 1de1 h GLU 84 Ca 0.42 -0.34 -0.05 0.00 -1.00 0.00 0.00 59.36 58.39 1de1 h GLU 84 Cb 1.65 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.92 1de1 h GLU 84 CO -0.02 0.95 -0.06 -0.92 -1.00 0.00 0.00 179.01 177.96 1de1 h TYR 85 N 0.44 0.40 0.00 4.33 5.03 0.17 -1.74 116.97 125.60 1de1 h TYR 85 Ca 0.01 -0.04 0.00 0.00 2.58 0.00 0.00 58.73 61.28 1de1 h TYR 85 Cb 1.06 -0.12 0.00 0.00 1.55 0.00 0.00 36.73 39.22 1de1 h TYR 85 CO 0.04 0.45 -0.63 1.19 -1.32 0.00 0.00 178.16 177.89 1de1 n PHE 86 N -4.28 0.33 -1.27 -3.82 3.72 -0.29 -5.12 117.46 106.73 1de1 n PHE 86 Ca 0.00 0.10 0.00 0.00 -0.05 0.00 0.00 57.45 57.50 1de1 n PHE 86 Cb 0.25 -0.49 0.00 0.00 -0.94 0.00 0.00 39.48 38.30 1de1 n PHE 86 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34