#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 0.34 -3.73 1.12 3.01 -0.91 -4.06 117.46 113.23 1de1 n PHE 2 Ca 0.00 0.31 -0.21 0.00 1.01 0.00 0.00 57.45 58.56 1de1 n PHE 2 Cb 0.00 -1.94 -0.18 0.00 -0.01 0.00 0.00 39.48 37.36 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 -4.50 0.26 0.11 -1.08 3.01 -0.66 -0.53 119.74 116.35 1de1 s LYS 3 Ca 0.66 0.23 0.06 0.00 -1.01 0.00 0.00 55.97 55.92 1de1 s LYS 3 Cb -0.23 -0.72 -0.04 0.00 -1.01 0.00 0.00 37.83 35.83 1de1 s LYS 3 CO 0.60 -0.30 -0.04 0.08 0.51 0.00 0.00 175.35 176.20 1de1 s VAL 4 N 2.00 3.71 -0.28 3.17 1.01 -0.66 0.14 120.40 129.49 1de1 s VAL 4 Ca 0.04 -1.19 -0.02 0.00 0.00 0.00 0.00 61.98 60.81 1de1 s VAL 4 Cb -0.12 -2.78 0.09 0.00 0.00 0.00 0.00 36.38 33.57 1de1 s VAL 4 CO -0.04 0.07 0.09 -0.31 0.00 0.00 0.00 175.10 174.90 1de1 s TYR 5 N -1.37 1.34 0.00 5.22 1.51 0.44 0.26 117.35 124.75 1de1 s TYR 5 Ca 0.25 -1.40 0.00 0.00 -1.01 0.00 0.00 57.07 54.91 1de1 s TYR 5 Cb -0.11 -1.42 0.00 0.00 -0.11 0.00 0.00 41.96 40.32 1de1 s TYR 5 CO 0.17 -0.81 0.00 0.41 -1.11 0.00 0.00 175.55 174.21 1de1 n GLY 6 N 4.96 2.60 3.78 0.71 0.00 0.39 0.78 105.19 118.41 1de1 n GLY 6 Ca -0.04 -0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.74 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 0.65 3.06 0.00 1.61 2.02 -1.26 0.89 117.35 124.31 1de1 s TYR 7 Ca 0.00 -0.09 0.00 0.00 -0.37 0.00 0.00 57.07 56.61 1de1 s TYR 7 Cb 0.00 -1.41 0.00 0.00 -0.40 0.00 0.00 41.96 40.15 1de1 s TYR 7 CO 0.00 0.53 0.00 -3.47 -1.57 0.00 0.00 175.55 171.04 1de1 n ASP 8 N -0.80 0.00 0.00 2.29 2.03 -1.26 -4.92 116.55 113.89 1de1 n ASP 8 Ca -0.08 0.02 0.00 0.00 0.52 0.00 0.00 54.79 55.25 1de1 n ASP 8 Cb 0.57 -0.41 0.00 0.00 -0.72 0.00 0.00 41.12 40.55 1de1 n ASP 8 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1de1 n SER 9 N -2.29 0.00 0.03 1.67 3.41 -0.98 -4.70 113.62 110.75 1de1 n SER 9 Ca 0.00 0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.45 1de1 n SER 9 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 1de1 n SER 9 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1de1 h ASN 10 N 0.00 0.78 0.01 4.04 2.35 -1.98 -3.36 115.58 117.42 1de1 h ASN 10 Ca 0.00 -0.57 -0.22 0.00 -0.55 0.00 0.00 56.30 54.96 1de1 h ASN 10 Cb 0.00 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.10 1de1 h ASN 10 CO 0.00 1.36 -1.21 0.40 -1.65 0.00 0.00 177.43 176.33 1de1 h ILE 11 N 0.39 0.96 -3.98 2.81 1.08 -1.92 -3.48 117.51 113.39 1de1 h ILE 11 Ca -0.08 -2.20 -0.17 0.00 -0.39 0.00 0.00 64.86 62.02 1de1 h ILE 11 Cb 1.51 2.32 -0.21 0.00 -3.07 0.00 0.00 36.82 37.37 1de1 h ILE 11 CO 0.17 0.36 -0.70 -2.28 -0.69 0.00 0.00 178.15 175.01 1de1 s HIS 12 N -2.36 0.26 0.57 1.37 2.46 -1.26 -4.54 115.29 111.79 1de1 s HIS 12 Ca -0.28 -0.52 -0.13 0.00 0.47 0.00 0.00 55.06 54.59 1de1 s HIS 12 Cb 0.05 -0.19 -0.06 0.00 -0.13 0.00 0.00 32.58 32.26 1de1 s HIS 12 CO 0.61 -0.19 1.01 -1.59 -2.47 0.00 0.00 174.74 172.11 1de1 s LYS 13 N -1.44 3.75 -0.33 2.88 -2.85 -1.26 -2.32 119.74 118.17 1de1 s LYS 13 Ca -0.16 0.84 -0.06 0.00 -1.00 0.00 0.00 55.97 55.59 1de1 s LYS 13 Cb -0.10 -2.10 0.19 0.00 -2.06 0.00 0.00 37.83 33.75 1de1 s LYS 13 CO -0.01 -0.44 0.96 0.00 0.10 0.00 0.00 175.35 175.96 1de1 h VAL 15 N 4.12 1.28 0.00 0.00 -1.51 -1.97 -2.94 116.25 115.23 1de1 h VAL 15 Ca -0.04 -1.76 -0.01 0.00 -1.23 0.00 0.00 66.70 63.67 1de1 h VAL 15 Cb 1.21 1.67 -0.00 0.00 -2.13 0.00 0.00 31.29 32.03 1de1 h VAL 15 CO -0.04 0.57 -0.02 1.88 -1.23 0.00 0.00 177.57 178.72 1de1 h TYR 16 N 0.64 0.00 0.65 5.19 -1.99 -1.99 -2.73 116.97 116.74 1de1 h TYR 16 Ca 0.01 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.71 1de1 h TYR 16 Cb 1.17 0.00 0.01 0.00 2.00 0.00 0.00 36.73 39.91 1de1 h TYR 16 CO 0.07 0.02 -0.31 0.00 -0.00 0.00 0.00 178.16 177.94 1de1 h ASP 18 N -1.17 0.75 -0.71 0.00 1.82 -1.57 -0.25 116.42 115.29 1de1 h ASP 18 Ca -0.09 0.08 -0.05 0.00 -0.39 0.00 0.00 57.03 56.58 1de1 h ASP 18 Cb 0.67 -0.05 -0.03 0.00 0.68 0.00 0.00 39.33 40.59 1de1 h ASP 18 CO 0.15 0.29 0.24 0.78 -1.61 0.00 0.00 179.24 179.08 1de1 h ASN 19 N 0.74 1.03 0.03 2.28 2.35 -1.47 -2.75 115.58 117.79 1de1 h ASN 19 Ca 0.55 -0.20 -0.00 0.00 -0.55 0.00 0.00 56.30 56.10 1de1 h ASN 19 Cb 0.89 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.99 1de1 h ASN 19 CO -0.33 0.96 -0.02 0.00 -1.65 0.00 0.00 177.43 176.39 1de1 h ALA 20 N 1.11 -0.04 -1.02 -0.83 0.00 -0.40 -2.81 119.26 115.27 1de1 h ALA 20 Ca 0.23 -0.17 0.25 0.00 0.00 0.00 0.00 54.91 55.23 1de1 h ALA 20 Cb 0.29 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.00 1de1 h ALA 20 CO -0.01 -0.36 0.66 -0.22 0.00 0.00 0.00 179.25 179.32 1de1 h LYS 21 N -0.38 0.40 -0.55 0.00 3.64 -1.27 0.37 116.57 118.79 1de1 h LYS 21 Ca -0.00 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.28 1de1 h LYS 21 Cb 0.36 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.06 1de1 h LYS 21 CO 0.01 0.27 0.07 0.00 -2.27 0.00 0.00 179.45 177.52 1de1 h ARG 22 N 0.41 0.92 0.11 1.90 2.47 -1.30 -1.39 114.38 117.50 1de1 h ARG 22 Ca 0.58 -0.26 0.01 0.00 -1.26 0.00 0.00 59.98 59.05 1de1 h ARG 22 Cb 1.43 -0.10 -0.02 0.00 -1.65 0.00 0.00 29.97 29.63 1de1 h ARG 22 CO -0.28 0.90 -0.18 1.25 0.56 0.00 0.00 179.97 182.22 1de1 h LEU 23 N 0.81 -0.50 -0.54 3.04 6.46 -0.03 -0.15 115.31 124.40 1de1 h LEU 23 Ca 0.16 0.06 0.04 0.00 -0.12 0.00 0.00 57.88 58.02 1de1 h LEU 23 Cb 0.44 0.19 -0.04 0.00 -0.73 0.00 0.00 40.66 40.51 1de1 h LEU 23 CO 0.01 -0.26 0.30 -0.07 -0.62 0.00 0.00 178.44 177.80 1de1 h LEU 24 N -0.35 0.46 -1.51 2.25 3.38 -1.30 0.62 115.31 118.86 1de1 h LEU 24 Ca 0.02 0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.07 1de1 h LEU 24 Cb 0.37 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 1de1 h LEU 24 CO -0.09 0.32 0.41 0.74 0.09 0.00 0.00 178.44 179.91 1de1 h THR 25 N 0.58 0.99 0.10 0.22 2.02 -0.83 -0.36 112.91 115.63 1de1 h THR 25 Ca 0.23 -0.20 -0.26 0.00 0.77 0.00 0.00 66.41 66.94 1de1 h THR 25 Cb 0.09 0.35 -0.00 0.00 -1.74 0.00 0.00 68.15 66.84 1de1 h THR 25 CO -0.13 0.11 -1.20 0.58 0.37 0.00 0.00 175.52 175.25 1de1 h VAL 26 N 0.59 1.54 0.00 3.16 2.07 0.39 -3.18 116.25 120.83 1de1 h VAL 26 Ca 0.27 -3.14 0.00 0.00 0.82 0.00 0.00 66.70 64.65 1de1 h VAL 26 Cb 0.29 2.93 0.00 0.00 -1.52 0.00 0.00 31.29 32.99 1de1 h VAL 26 CO -0.08 0.91 0.00 0.29 0.02 0.00 0.00 177.57 178.71 1de1 n LYS 27 N -3.50 0.07 -2.93 1.57 4.01 0.20 -4.90 118.16 112.69 1de1 n LYS 27 Ca -0.07 0.26 -0.11 0.00 -0.51 0.00 0.00 58.31 57.88 1de1 n LYS 27 Cb 1.01 -1.62 0.05 0.00 -0.51 0.00 0.00 35.03 33.96 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 -1.75 -4.23 -4.59 1.97 0.00 -0.27 -5.04 118.16 104.25 1de1 n LYS 28 Ca 0.04 0.52 -0.24 0.00 0.00 0.00 0.00 58.31 58.63 1de1 n LYS 28 Cb 0.23 -4.59 -0.16 0.00 0.00 0.00 0.00 35.03 30.50 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 -4.98 1.67 0.32 1.64 -1.52 -1.00 -5.07 119.66 110.72 1de1 s GLN 29 Ca 0.05 -0.42 -0.27 0.00 -1.95 0.00 0.00 55.36 52.77 1de1 s GLN 29 Cb -0.02 -1.39 -0.09 0.00 -0.22 0.00 0.00 33.01 31.28 1de1 s GLN 29 CO 0.45 0.04 1.02 -1.25 -0.25 0.00 0.00 175.29 175.31 1de1 s PRO 30 N 0.60 4.51 0.28 2.91 0.04 -1.26 -4.59 135.00 137.49 1de1 s PRO 30 Ca -0.13 1.55 -0.19 0.00 0.04 0.00 0.00 61.00 62.27 1de1 s PRO 30 Cb -0.15 -2.91 0.02 0.00 0.04 0.00 0.00 34.50 31.50 1de1 s PRO 30 CO 0.04 0.16 0.68 -0.59 0.04 0.00 0.00 177.00 177.32 1de1 s PHE 31 N -1.43 -0.05 -0.05 0.56 -0.71 -1.26 -2.14 117.98 112.90 1de1 s PHE 31 Ca 0.49 -0.40 -0.02 0.00 -1.04 0.00 0.00 56.93 55.96 1de1 s PHE 31 Cb -0.25 0.61 0.04 0.00 -1.21 0.00 0.00 43.02 42.21 1de1 s PHE 31 CO 0.31 -1.22 0.10 -1.21 -1.34 0.00 0.00 175.22 171.86 1de1 s GLU 32 N -3.81 0.03 0.48 1.99 0.41 0.31 -4.84 118.70 113.26 1de1 s GLU 32 Ca 0.14 0.31 -0.03 0.00 -0.41 0.00 0.00 54.97 54.98 1de1 s GLU 32 Cb -0.05 -0.22 -0.02 0.00 -1.78 0.00 0.00 34.13 32.06 1de1 s GLU 32 CO 0.08 -0.18 0.75 0.12 -0.49 0.00 0.00 175.26 175.54 1de1 s PHE 33 N 1.23 3.39 -0.13 1.61 5.36 -1.26 -1.65 117.98 126.53 1de1 s PHE 33 Ca -0.08 0.55 -0.05 0.00 -0.96 0.00 0.00 56.93 56.39 1de1 s PHE 33 Cb -0.12 -2.35 0.06 0.00 -0.34 0.00 0.00 43.02 40.27 1de1 s PHE 33 CO -0.05 -0.37 0.26 0.42 -1.46 0.00 0.00 175.22 174.03 1de1 s ILE 34 N -2.69 -0.33 0.16 3.12 1.01 0.14 -4.79 121.20 117.82 1de1 s ILE 34 Ca 0.48 0.25 -0.30 0.00 0.00 0.00 0.00 60.65 61.08 1de1 s ILE 34 Cb -0.10 -0.43 -0.07 0.00 0.01 0.00 0.00 42.46 41.87 1de1 s ILE 34 CO 0.42 0.10 0.99 0.21 0.00 0.00 0.00 174.94 176.66 1de1 s ASN 35 N 2.15 7.49 -0.10 3.58 3.84 -1.26 -0.46 114.94 130.17 1de1 s ASN 35 Ca -0.01 1.90 0.18 0.00 0.21 0.00 0.00 52.86 55.13 1de1 s ASN 35 Cb -0.12 -2.60 -0.24 0.00 -0.55 0.00 0.00 41.25 37.74 1de1 s ASN 35 CO -0.09 -0.04 0.35 2.30 -2.79 0.00 0.00 177.10 176.83 1de1 n ILE 36 N 2.38 1.09 -3.89 -5.21 -5.35 0.26 -4.77 119.36 103.87 1de1 n ILE 36 Ca 0.01 -0.75 -0.30 0.00 -0.27 0.00 0.00 62.75 61.44 1de1 n ILE 36 Cb 0.48 -0.48 -0.14 0.00 -1.74 0.00 0.00 39.64 37.76 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 -2.79 1.44 0.00 6.28 0.00 -1.26 -1.15 119.30 121.82 1de1 s MET 37 Ca -0.08 -1.97 0.17 0.00 0.00 0.00 0.00 55.69 53.81 1de1 s MET 37 Cb 0.08 -2.84 0.96 0.00 0.00 0.00 0.00 34.83 33.03 1de1 s MET 37 CO 0.84 -1.04 1.62 -0.35 0.00 0.00 0.00 175.02 176.09 1de1 n PRO 38 N 3.90 1.07 -3.89 4.11 -0.04 -1.26 -4.71 135.00 134.18 1de1 n PRO 38 Ca 0.04 -0.11 -0.13 0.00 -0.04 0.00 0.00 63.50 63.26 1de1 n PRO 38 Cb 0.38 -1.27 -0.14 0.00 -0.04 0.00 0.00 33.50 32.42 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 -1.98 0.06 0.00 0.54 2.02 -1.25 -4.93 118.70 113.16 1de1 s GLU 39 Ca 0.25 0.02 0.08 0.00 0.02 0.00 0.00 54.97 55.33 1de1 s GLU 39 Cb 0.12 -0.11 0.34 0.00 0.10 0.00 0.00 34.13 34.57 1de1 s GLU 39 CO 0.20 -0.02 1.21 1.17 0.02 0.00 0.00 175.26 177.84 1de1 n LYS 40 N 3.31 0.03 -0.03 1.61 4.81 -1.26 -3.27 118.16 123.34 1de1 n LYS 40 Ca -0.16 0.33 -0.02 0.00 -0.87 0.00 0.00 58.31 57.60 1de1 n LYS 40 Cb 0.58 -1.50 -0.01 0.00 0.02 0.00 0.00 35.03 34.12 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 -3.93 3.14 0.00 -1.95 -3.50 103.07 98.13 1de1 h GLY 41 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.18 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 -1.56 0.22 0.87 4.60 1.01 -1.20 -5.16 120.40 119.16 1de1 s VAL 42 Ca -0.06 -1.46 -0.12 0.00 0.00 0.00 0.00 61.98 60.34 1de1 s VAL 42 Cb 0.01 -1.03 0.11 0.00 0.00 0.00 0.00 36.38 35.47 1de1 s VAL 42 CO 0.09 -0.79 1.12 0.72 0.00 0.00 0.00 175.10 176.25 1de1 s PHE 43 N -2.90 2.65 -0.35 5.22 -0.12 -1.26 -3.87 117.98 117.34 1de1 s PHE 43 Ca -0.02 0.96 -0.13 0.00 -0.05 0.00 0.00 56.93 57.69 1de1 s PHE 43 Cb 0.01 -3.30 -0.01 0.00 -0.63 0.00 0.00 43.02 39.09 1de1 s PHE 43 CO -0.06 -2.13 0.24 0.34 -0.05 0.00 0.00 175.22 173.56 1de1 s ASP 44 N -4.00 6.02 0.62 1.98 2.15 -0.30 -4.91 116.67 118.23 1de1 s ASP 44 Ca 0.63 -0.51 0.31 0.00 0.43 0.00 0.00 52.55 53.40 1de1 s ASP 44 Cb -0.14 -2.13 1.67 0.00 -0.30 0.00 0.00 42.92 42.02 1de1 s ASP 44 CO 0.53 -0.27 2.02 0.44 -0.17 0.00 0.00 175.17 177.72 1de1 h ASP 45 N 8.50 0.00 0.28 -0.34 3.32 -1.96 -1.95 116.42 124.27 1de1 h ASP 45 Ca -0.31 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.74 1de1 h ASP 45 Cb 1.15 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.69 1de1 h ASP 45 CO 0.65 0.00 -0.18 -0.08 -1.72 0.00 0.00 179.24 177.91 1de1 h GLU 46 N 0.00 -0.43 0.00 3.56 4.81 -1.93 0.87 114.58 121.46 1de1 h GLU 46 Ca 0.08 0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.24 1de1 h GLU 46 Cb 0.68 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.14 1de1 h GLU 46 CO -0.00 -0.28 -0.47 0.87 -0.73 0.00 0.00 179.01 178.39 1de1 h LYS 47 N -0.44 0.00 -0.24 1.92 1.79 -1.68 -2.84 116.57 115.07 1de1 h LYS 47 Ca -0.03 0.00 -0.20 0.00 -2.18 0.00 0.00 60.65 58.25 1de1 h LYS 47 Cb 0.37 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.02 1de1 h LYS 47 CO 0.02 0.47 -0.62 0.82 -1.08 0.00 0.00 179.45 179.07 1de1 h ILE 48 N 0.00 1.28 0.48 1.86 1.08 -0.99 -2.68 117.51 118.53 1de1 h ILE 48 Ca -0.00 -1.81 -0.02 0.00 -0.39 0.00 0.00 64.86 62.63 1de1 h ILE 48 Cb 0.92 1.74 0.00 0.00 -3.07 0.00 0.00 36.82 36.41 1de1 h ILE 48 CO 0.06 0.58 -0.23 0.00 -0.69 0.00 0.00 178.15 177.88 1de1 h ALA 49 N 0.67 -0.64 -0.60 1.87 0.00 0.89 -1.95 119.26 119.50 1de1 h ALA 49 Ca -0.01 -0.18 0.10 0.00 0.00 0.00 0.00 54.91 54.83 1de1 h ALA 49 Cb 1.23 0.25 -0.04 0.00 0.00 0.00 0.00 17.79 19.23 1de1 h ALA 49 CO 0.13 -0.77 0.41 1.05 0.00 0.00 0.00 179.25 180.06 1de1 h GLU 50 N -0.81 0.37 -0.04 0.00 4.11 -1.59 -1.31 114.58 115.31 1de1 h GLU 50 Ca -0.07 -0.02 -0.00 0.00 0.07 0.00 0.00 59.36 59.34 1de1 h GLU 50 Cb 0.56 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 1de1 h GLU 50 CO 0.11 0.25 0.02 1.25 0.07 0.00 0.00 179.01 180.70 1de1 h LEU 51 N 0.39 0.06 -0.75 3.06 5.85 -1.24 -1.53 115.31 121.15 1de1 h LEU 51 Ca 0.28 -0.16 0.13 0.00 0.84 0.00 0.00 57.88 58.98 1de1 h LEU 51 Cb 0.59 -0.02 -0.09 0.00 0.37 0.00 0.00 40.66 41.51 1de1 h LEU 51 CO -0.08 0.20 0.32 -0.07 -0.34 0.00 0.00 178.44 178.47 1de1 h LEU 52 N -0.08 0.33 -1.33 2.25 3.38 -0.46 0.26 115.31 119.66 1de1 h LEU 52 Ca 0.01 0.10 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 1de1 h LEU 52 Cb 0.16 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1de1 h LEU 52 CO -0.00 0.15 -0.15 0.74 0.09 0.00 0.00 178.44 179.26 1de1 h THR 53 N 0.49 1.19 0.00 0.22 2.02 -1.22 -1.69 112.91 113.92 1de1 h THR 53 Ca 0.40 -0.86 -0.07 0.00 0.77 0.00 0.00 66.41 66.64 1de1 h THR 53 Cb 0.57 1.24 -0.01 0.00 -1.74 0.00 0.00 68.15 68.21 1de1 h THR 53 CO -0.37 0.27 -0.34 0.50 0.37 0.00 0.00 175.52 175.95 1de1 h LYS 54 N 0.25 0.00 0.48 6.66 3.64 0.53 -3.17 116.57 124.96 1de1 h LYS 54 Ca 0.05 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.40 1de1 h LYS 54 Cb 0.42 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 1de1 h LYS 54 CO 0.03 0.34 -0.23 -0.07 -2.27 0.00 0.00 179.45 177.24 1de1 h LEU 55 N 0.00 -0.55 0.00 5.20 3.38 -0.31 -3.44 115.31 119.59 1de1 h LEU 55 Ca -0.00 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1de1 h LEU 55 Cb 0.62 0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.51 1de1 h LEU 55 CO 0.04 -0.15 0.00 0.61 0.09 0.00 0.00 178.44 179.03 1de1 n GLY 56 N -0.21 -0.95 1.71 0.83 0.00 -1.09 -4.91 105.19 100.57 1de1 n GLY 56 Ca -0.10 0.63 -0.02 0.00 0.00 0.00 0.00 46.02 46.54 1de1 n GLY 56 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1de1 n ARG 57 N 0.00 0.48 0.00 1.61 3.00 -1.26 -4.68 116.66 115.81 1de1 n ARG 57 Ca 0.00 -1.73 0.00 0.00 -0.00 0.00 0.00 57.85 56.12 1de1 n ARG 57 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 32.46 32.47 1de1 n ARG 57 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 1de1 n ASP 58 N -0.18 0.00 -4.69 6.15 -0.08 -1.26 -5.17 116.55 111.32 1de1 n ASP 58 Ca -0.10 0.00 -0.26 0.00 -1.51 0.00 0.00 54.79 52.92 1de1 n ASP 58 Cb 0.89 0.00 -0.09 0.00 2.34 0.00 0.00 41.12 44.26 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 2.34 2.15 -0.72 5.18 -1.32 -1.26 -5.02 115.64 117.00 1de1 s THR 59 Ca 0.00 -1.83 -0.23 0.00 -1.21 0.00 0.00 61.69 58.42 1de1 s THR 59 Cb 0.00 -2.98 0.07 0.00 -1.51 0.00 0.00 72.50 68.08 1de1 s THR 59 CO 0.00 0.00 1.05 0.00 -2.21 0.00 0.00 174.62 173.46 1de1 s GLN 60 N -3.82 3.20 -1.19 7.08 0.00 -1.26 -4.96 119.66 118.71 1de1 s GLN 60 Ca 0.38 -0.87 -0.20 0.00 -0.00 0.00 0.00 55.36 54.67 1de1 s GLN 60 Cb 0.06 -4.35 0.07 0.00 0.00 0.00 0.00 33.01 28.79 1de1 s GLN 60 CO 0.20 -1.88 1.61 0.96 0.00 0.00 0.00 175.29 176.19 1de1 s ILE 61 N 4.19 4.09 -1.45 3.63 -4.36 -1.26 -4.21 121.20 121.82 1de1 s ILE 61 Ca 0.26 -1.52 0.00 0.00 -0.26 0.00 0.00 60.65 59.13 1de1 s ILE 61 Cb -0.14 -5.13 0.00 0.00 1.25 0.00 0.00 42.46 38.44 1de1 s ILE 61 CO 0.08 -1.97 0.00 0.61 0.24 0.00 0.00 174.94 173.89 1de1 n GLY 62 N 5.90 0.16 3.56 6.27 0.00 -1.26 -4.89 105.19 114.93 1de1 n GLY 62 Ca 0.42 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.60 2.74 -4.46 0.99 -0.00 -1.26 -5.02 117.00 107.39 1de1 n LEU 63 Ca -0.18 0.77 -0.22 0.00 -0.00 0.00 0.00 56.01 56.38 1de1 n LEU 63 Cb 0.60 -1.32 -0.11 0.00 -0.00 0.00 0.00 43.42 42.60 1de1 n LEU 63 CO 0.22 -2.29 -0.27 0.42 -0.00 0.00 0.00 177.39 175.47 1de1 s THR 64 N -1.60 1.23 0.23 1.96 -4.23 -1.26 -5.15 115.64 106.82 1de1 s THR 64 Ca 0.74 -2.00 0.10 0.00 -1.18 0.00 0.00 61.69 59.35 1de1 s THR 64 Cb -0.42 -2.81 -0.05 0.00 1.34 0.00 0.00 72.50 70.57 1de1 s THR 64 CO 0.49 0.00 -0.19 -0.04 -0.54 0.00 0.00 174.62 174.34 1de1 s MET 65 N -3.88 1.50 0.31 3.99 -1.94 -1.26 -4.15 119.30 113.87 1de1 s MET 65 Ca 0.36 -1.62 -0.27 0.00 -1.71 0.00 0.00 55.69 52.46 1de1 s MET 65 Cb 0.09 -1.56 -0.10 0.00 2.01 0.00 0.00 34.83 35.27 1de1 s MET 65 CO 0.16 0.30 0.96 -2.14 -0.01 0.00 0.00 175.02 174.29 1de1 s PRO 66 N -3.26 4.60 -0.23 2.03 0.02 -1.26 -4.99 135.00 131.90 1de1 s PRO 66 Ca 0.24 1.40 -0.08 0.00 0.02 0.00 0.00 61.00 62.58 1de1 s PRO 66 Cb -0.05 -2.88 -0.04 0.00 0.02 0.00 0.00 34.50 31.56 1de1 s PRO 66 CO 0.11 0.28 0.09 -1.14 -0.33 0.00 0.00 177.00 176.01 1de1 s GLN 67 N -1.91 3.82 0.28 5.54 0.74 0.23 -4.30 119.66 124.06 1de1 s GLN 67 Ca 0.49 -0.40 0.06 0.00 0.05 0.00 0.00 55.36 55.55 1de1 s GLN 67 Cb -0.21 -3.36 -0.02 0.00 1.10 0.00 0.00 33.01 30.52 1de1 s GLN 67 CO 0.26 -0.04 0.40 0.08 -0.55 0.00 0.00 175.29 175.44 1de1 s VAL 68 N 1.26 4.72 -0.02 1.34 1.01 -0.25 0.17 120.40 128.62 1de1 s VAL 68 Ca 0.05 -1.01 -0.03 0.00 0.00 0.00 0.00 61.98 60.99 1de1 s VAL 68 Cb -0.14 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.59 1de1 s VAL 68 CO 0.04 -0.26 0.07 -0.36 0.00 0.00 0.00 175.10 174.60 1de1 s PHE 69 N -2.07 -0.04 0.52 5.22 0.08 0.36 -2.61 117.98 119.44 1de1 s PHE 69 Ca 0.39 0.11 -0.21 0.00 0.12 0.00 0.00 56.93 57.33 1de1 s PHE 69 Cb -0.09 0.00 -0.07 0.00 -0.57 0.00 0.00 43.02 42.29 1de1 s PHE 69 CO 0.30 -0.08 1.04 0.00 -0.10 0.00 0.00 175.22 176.38 1de1 n ALA 70 N 2.76 0.42 0.17 5.36 0.00 0.33 -1.66 120.51 127.88 1de1 n ALA 70 Ca -0.14 0.12 0.17 0.00 0.00 0.00 0.00 53.44 53.58 1de1 n ALA 70 Cb 0.59 -2.14 0.79 0.00 0.00 0.00 0.00 19.45 18.69 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 1.09 0.00 0.00 0.00 0.11 -1.91 -1.41 132.00 129.88 1de1 h PRO 71 Ca -0.47 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.36 1de1 h PRO 71 Cb 1.34 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.40 1de1 h PRO 71 CO 0.54 0.00 -1.85 -0.40 -0.21 0.00 0.00 178.00 176.08 1de1 n ASP 72 N -3.94 0.58 0.00 -2.05 5.75 -1.26 -3.52 116.55 112.11 1de1 n ASP 72 Ca 0.03 0.27 0.00 0.00 -0.01 0.00 0.00 54.79 55.08 1de1 n ASP 72 Cb 0.37 0.39 0.00 0.00 -1.03 0.00 0.00 41.12 40.85 1de1 n ASP 72 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1de1 n GLY 73 N 1.56 1.56 3.61 6.12 0.00 -0.53 -5.12 105.19 112.39 1de1 n GLY 73 Ca -0.19 -0.34 -0.00 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.03 -0.47 1.61 0.01 -1.25 -4.85 113.70 108.72 1de1 s SER 74 Ca 0.00 -0.01 -0.22 0.00 1.31 0.00 0.00 55.95 57.03 1de1 s SER 74 Cb 0.00 0.04 0.03 0.00 0.21 0.00 0.00 66.02 66.30 1de1 s SER 74 CO 0.00 -0.07 0.73 -2.28 0.41 0.00 0.00 173.24 172.04 1de1 s HIS 75 N -2.11 3.00 -0.16 2.43 5.65 -1.26 0.12 115.29 122.95 1de1 s HIS 75 Ca 0.13 -0.05 -0.18 0.00 0.25 0.00 0.00 55.06 55.21 1de1 s HIS 75 Cb 0.02 -3.59 -0.15 0.00 -1.18 0.00 0.00 32.58 27.68 1de1 s HIS 75 CO -0.04 -1.01 0.24 0.82 -0.65 0.00 0.00 174.74 174.10 1de1 h ILE 76 N 5.93 0.82 0.00 0.89 2.04 -1.82 -3.47 117.51 121.90 1de1 h ILE 76 Ca -0.26 -1.82 0.00 0.00 1.00 0.00 0.00 64.86 63.78 1de1 h ILE 76 Cb 1.09 1.75 0.00 0.00 -0.74 0.00 0.00 36.82 38.92 1de1 h ILE 76 CO 0.96 0.28 0.00 0.61 0.00 0.00 0.00 178.15 179.99 1de1 n GLY 77 N 1.56 0.60 0.00 5.37 0.00 -1.22 -4.54 105.19 106.96 1de1 n GLY 77 Ca -0.17 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 43.95 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 1.28 0.00 -0.02 0.00 -1.26 -1.09 105.19 104.09 1de1 n GLY 78 Ca 0.00 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.81 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 -0.28 1.61 -0.00 -1.26 -1.61 117.46 115.92 1de1 n PHE 79 Ca 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 57.45 57.54 1de1 n PHE 79 Cb 0.00 -0.49 0.24 0.00 -0.00 0.00 0.00 39.48 39.23 1de1 n PHE 79 CO 0.00 0.00 0.00 0.22 -0.00 0.00 0.00 176.76 176.98 1de1 h ASP 80 N 0.00 0.22 -0.56 -2.13 1.82 -1.98 0.99 116.42 114.78 1de1 h ASP 80 Ca 0.00 0.14 -0.02 0.00 -0.39 0.00 0.00 57.03 56.76 1de1 h ASP 80 Cb 0.00 0.14 -0.03 0.00 0.68 0.00 0.00 39.33 40.12 1de1 h ASP 80 CO 0.00 0.02 0.29 -0.61 -1.61 0.00 0.00 179.24 177.33 1de1 h GLN 81 N 0.38 0.83 0.19 0.28 5.75 -1.90 -2.76 115.11 117.88 1de1 h GLN 81 Ca 0.48 -0.10 -0.31 0.00 -0.15 0.00 0.00 58.65 58.57 1de1 h GLN 81 Cb 0.83 -0.16 0.03 0.00 1.07 0.00 0.00 27.48 29.25 1de1 h GLN 81 CO -0.49 0.63 -1.36 1.25 -2.65 0.00 0.00 178.83 176.21 1de1 h LEU 82 N 0.83 0.74 -1.73 -2.39 6.46 0.92 -3.20 115.31 116.94 1de1 h LEU 82 Ca 0.21 -0.76 0.25 0.00 -0.12 0.00 0.00 57.88 57.45 1de1 h LEU 82 Cb 0.07 -0.24 -0.06 0.00 -0.73 0.00 0.00 40.66 39.70 1de1 h LEU 82 CO -0.03 1.59 0.64 -0.09 -0.62 0.00 0.00 178.44 179.93 1de1 h ARG 83 N 0.16 0.20 -0.30 1.25 2.43 0.10 1.54 114.38 119.75 1de1 h ARG 83 Ca -0.21 -0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 58.85 1de1 h ARG 83 Cb 2.06 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 31.55 1de1 h ARG 83 CO 0.25 0.13 -0.25 0.93 -1.51 0.00 0.00 179.97 179.53 1de1 h GLU 84 N 0.21 0.58 -0.35 0.20 5.08 -1.50 1.08 114.58 119.87 1de1 h GLU 84 Ca 0.47 -0.23 -0.04 0.00 -1.00 0.00 0.00 59.36 58.57 1de1 h GLU 84 Cb 1.52 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.72 1de1 h GLU 84 CO -0.11 0.78 0.04 -0.92 -1.00 0.00 0.00 179.01 177.80 1de1 h TYR 85 N 0.51 0.54 0.00 4.33 5.03 0.21 -2.34 116.97 125.26 1de1 h TYR 85 Ca 0.07 -0.04 -0.05 0.00 2.58 0.00 0.00 58.73 61.28 1de1 h TYR 85 Cb 0.70 -0.16 -0.01 0.00 1.55 0.00 0.00 36.73 38.81 1de1 h TYR 85 CO 0.03 0.51 -1.07 0.74 -1.32 0.00 0.00 178.16 177.05 1de1 h PHE 86 N 0.52 0.00 0.00 -3.82 0.04 -0.50 -3.52 116.94 109.66 1de1 h PHE 86 Ca 0.12 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.89 1de1 h PHE 86 Cb 0.28 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.43 1de1 h PHE 86 CO 0.01 0.19 0.00 1.63 -0.60 0.00 0.00 178.31 179.54